1 189 DE NOVO PROTEIN 25-FEB-02 1L2Y 2 1 NH3 -8.901000 4.127000 -0.555000 52 2 5 6 7 3 2 CH1 -8.608000 3.135000 -1.618000 22 1 3 8 4 3 C -7.117000 2.964000 -1.897000 7 2 4 14 5 4 O -6.634000 1.849000 -1.758000 57 3 6 5 HC -8.330000 3.957000 0.261000 5 1 7 6 HC -8.740000 5.068000 -0.889000 5 1 8 7 HC -9.877000 4.041000 -0.293000 5 1 9 8 CH2 -9.437000 3.396000 -2.889000 23 2 9 10 9 C -10.915000 3.130000 -2.611000 7 8 10 11 11 10 O -11.269000 2.700000 -1.524000 57 9 12 11 NH2 -11.806000 3.406000 -3.543000 51 9 12 13 13 12 H -11.572000 3.791000 -4.444000 2 11 14 13 H -12.757000 3.183000 -3.294000 2 11 15 14 NH1 -6.379000 4.031000 -2.228000 47 3 15 18 16 15 CH1 -4.923000 4.002000 -2.452000 21 14 16 19 17 16 C -4.136000 3.187000 -1.404000 7 15 17 23 18 17 O -3.391000 2.274000 -1.760000 57 16 19 18 H -6.821000 4.923000 -2.394000 1 14 20 19 CH2 -4.411000 5.450000 -2.619000 23 15 20 21 20 CH1 -4.795000 6.450000 -1.495000 20 19 21 22 22 21 CH3 -3.612000 6.803000 -0.599000 32 20 23 22 CH3 -5.351000 7.748000 -2.084000 32 20 24 23 NH1 -4.354000 3.455000 -0.111000 47 16 24 27 25 24 CH1 -3.690000 2.738000 0.981000 21 23 25 28 26 25 C -4.102000 1.256000 1.074000 7 24 26 37 27 26 O -3.291000 0.409000 1.442000 57 25 28 27 H -4.934000 4.245000 0.120000 1 23 29 28 CH2 -3.964000 3.472000 2.302000 23 24 29 30 29 C -2.824000 3.339000 3.290000 10 28 30 31 31 30 CR1 -2.746000 2.217000 4.138000 37 29 32 32 31 CR1 -1.820000 4.326000 3.332000 37 29 33 33 32 CR1 -1.657000 2.076000 5.018000 37 30 34 34 33 CR1 -0.725000 4.185000 4.205000 37 31 34 35 34 C -0.639000 3.053000 5.043000 11 32 33 35 36 35 OH1 0.433000 2.881000 5.861000 61 34 36 37 36 H 1.187000 3.395000 5.567000 4 35 38 37 NH1 -5.342000 0.925000 0.689000 47 25 38 41 39 38 CH1 -5.857000 -0.449000 0.613000 21 37 39 42 40 39 C -5.089000 -1.221000 -0.470000 7 38 40 46 41 40 O -4.621000 -2.334000 -0.226000 57 39 42 41 H -5.906000 1.656000 0.283000 1 37 43 42 CH1 -7.386000 -0.466000 0.343000 20 38 43 44 44 43 CH2 -8.197000 0.540000 1.197000 23 42 45 45 44 CH3 -7.959000 -1.884000 0.501000 32 42 46 45 CH3 -8.019000 0.412000 2.715000 32 43 47 46 NH1 -4.907000 -0.601000 -1.645000 47 39 47 50 48 47 CH1 -4.122000 -1.167000 -2.743000 21 46 48 51 49 48 C -2.629000 -1.321000 -2.390000 7 47 49 58 50 49 O -1.986000 -2.240000 -2.884000 57 48 51 50 H -5.327000 0.318000 -1.763000 1 46 52 51 CH2 -4.292000 -0.313000 -4.013000 23 47 52 53 52 CH2 -4.244000 -1.171000 -5.290000 23 51 53 54 53 C -5.576000 -1.860000 -5.585000 7 52 54 55 55 54 O -5.769000 -3.044000 -5.335000 57 53 56 55 NH2 -6.532000 -1.146000 -6.152000 51 53 56 57 57 56 H -6.389000 -0.184000 -6.408000 2 55 58 57 H -7.392000 -1.635000 -6.335000 2 55 59 58 NH1 -2.074000 -0.459000 -1.528000 47 48 59 62 60 59 CH1 -0.716000 -0.631000 -0.993000 21 58 60 63 61 60 C -0.631000 -1.766000 0.044000 7 59 61 74 62 61 O 0.295000 -2.579000 -0.004000 57 60 63 62 H -2.624000 0.343000 -1.242000 1 58 64 63 CH2 -0.221000 0.703000 -0.417000 23 59 64 65 64 C 1.148000 0.652000 0.194000 12 63 65 66 66 65 CR1 2.319000 0.664000 -0.482000 39 64 67 67 66 C 1.508000 0.564000 1.606000 14 64 68 69 68 67 NH1 3.371000 0.560000 0.411000 49 65 68 73 69 68 C 2.928000 0.515000 1.710000 13 66 67 70 70 69 CR1 0.779000 0.524000 2.812000 38 66 71 71 70 CR1 3.599000 0.445000 2.938000 37 68 72 72 71 CR1 1.439000 0.433000 4.053000 37 69 72 73 72 CR1 2.842000 0.407000 4.120000 37 70 71 74 73 H 4.360000 0.536000 0.156000 2 67 75 74 NH1 -1.600000 -1.860000 0.967000 47 60 75 78 76 75 CH1 -1.641000 -2.932000 1.963000 21 74 76 79 77 76 C -1.847000 -4.319000 1.342000 7 75 77 83 78 77 O -1.144000 -5.248000 1.742000 57 76 79 78 H -2.316000 -1.137000 0.994000 1 74 80 79 CH2 -2.710000 -2.645000 3.033000 23 75 80 81 80 CH1 -2.301000 -1.579000 4.069000 20 79 81 82 82 81 CH3 -3.475000 -1.323000 5.018000 32 80 83 82 CH3 -1.093000 -2.007000 4.914000 32 80 84 83 NH1 -2.753000 -4.481000 0.360000 47 76 84 87 85 84 CH1 -3.024000 -5.791000 -0.269000 21 83 85 88 86 85 C -1.796000 -6.427000 -0.937000 7 84 86 96 87 86 O -1.719000 -7.648000 -1.030000 57 85 88 87 H -3.321000 -3.675000 0.097000 1 83 89 88 CH2 -4.224000 -5.697000 -1.232000 23 84 89 90 89 CH2 -3.930000 -5.009000 -2.577000 23 88 90 91 90 CH2 -3.682000 -5.986000 -3.736000 23 89 91 92 91 CH2 -3.494000 -5.199000 -5.039000 27 90 92 93 92 NH3 -4.563000 -5.483000 -6.023000 52 91 93 94 95 94 93 HC -4.621000 -6.474000 -6.211000 5 92 95 94 HC -5.442000 -5.124000 -5.657000 5 92 96 95 HC -4.382000 -4.983000 -6.881000 5 92 97 96 NH1 -0.828000 -5.607000 -1.355000 47 85 97 100 98 97 CH1 0.466000 -6.016000 -1.905000 21 96 98 101 99 98 C 1.481000 -6.464000 -0.832000 7 97 99 105 100 99 O 2.545000 -6.971000 -1.194000 57 98 101 100 H -1.010000 -4.616000 -1.291000 1 96 102 101 CH2 1.033000 -4.839000 -2.724000 28 97 102 103 102 C 0.672000 -4.906000 -4.210000 8 101 103 104 104 103 OC -0.532000 -5.051000 -4.522000 58 102 105 104 OC 1.627000 -4.815000 -5.017000 58 102 106 105 NH1 1.185000 -6.278000 0.464000 47 98 106 109 107 106 CH2 2.060000 -6.618000 1.593000 25 105 107 108 107 C 2.628000 -5.412000 2.353000 7 106 108 110 109 108 O 3.496000 -5.594000 3.208000 57 107 110 109 H 0.265000 -5.908000 0.693000 1 105 111 110 NH1 2.172000 -4.187000 2.055000 47 107 111 114 112 111 CH2 2.626000 -2.967000 2.723000 25 110 112 113 112 C 4.157000 -2.802000 2.654000 7 111 113 115 114 113 O 4.710000 -2.829000 1.551000 57 112 115 114 H 1.481000 -4.089000 1.319000 1 110 116 115 N 4.871000 -2.651000 3.794000 46 112 116 121 117 116 CH1 6.333000 -2.533000 3.806000 21 115 117 119 118 117 C 7.058000 -3.729000 3.165000 7 116 118 122 119 118 O 8.139000 -3.562000 2.601000 57 117 120 119 CH2 6.740000 -2.387000 5.279000 23 116 120 121 120 CH2 5.460000 -1.952000 5.987000 23 119 121 122 121 CH2 4.362000 -2.615000 5.160000 25 115 120 123 122 NH1 6.463000 -4.929000 3.205000 47 117 123 126 124 123 CH1 7.049000 -6.179000 2.704000 21 122 124 127 125 124 C 6.897000 -6.369000 1.185000 7 123 125 130 126 125 O 7.025000 -7.488000 0.697000 57 124 127 126 H 5.535000 -4.999000 3.613000 1 122 128 127 CH2 6.458000 -7.371000 3.472000 27 123 128 129 128 OH1 6.763000 -7.264000 4.850000 61 127 129 130 129 H 7.707000 -7.394000 4.970000 4 128 131 130 NH1 6.637000 -5.290000 0.434000 47 124 131 134 132 131 CH1 6.389000 -5.315000 -1.015000 21 130 132 135 133 132 C 7.332000 -4.405000 -1.823000 7 131 133 138 134 133 O 7.082000 -4.123000 -2.993000 57 132 135 134 H 6.509000 -4.415000 0.930000 1 130 136 135 CH2 4.914000 -4.993000 -1.265000 27 131 136 137 136 OH1 4.431000 -5.743000 -2.358000 61 135 137 138 137 H 3.714000 -6.324000 -1.987000 4 136 139 138 NH1 8.419000 -3.920000 -1.202000 47 132 139 142 140 139 CH2 9.451000 -3.116000 -1.870000 25 138 140 141 140 C 8.984000 -1.725000 -2.316000 7 139 141 143 142 141 O 9.539000 -1.177000 -3.267000 57 140 143 142 H 8.573000 -4.210000 -0.246000 1 138 144 143 NH1 7.956000 -1.164000 -1.660000 47 140 144 147 145 144 CH1 7.289000 0.084000 -2.054000 21 143 145 148 146 145 C 6.855000 0.916000 -0.829000 7 144 146 160 147 146 O 6.222000 0.366000 0.076000 57 145 148 147 H 7.579000 -1.676000 -0.874000 1 143 149 148 CH2 6.110000 -0.243000 -2.994000 23 144 149 150 149 CH2 5.046000 -1.171000 -2.378000 23 148 150 151 150 CH2 3.923000 -1.592000 -3.338000 25 149 151 152 151 NH1 4.251000 -2.811000 -4.100000 50 150 152 155 153 152 C 4.859000 -2.914000 -5.274000 16 151 153 154 154 153 NC2 5.289000 -1.864000 -5.937000 54 152 156 157 155 154 NC2 5.035000 -4.095000 -5.809000 54 152 158 159 156 155 H 3.963000 -3.694000 -3.698000 2 151 157 156 HC 5.150000 -0.962000 -5.521000 5 153 158 157 HC 5.761000 -1.962000 -6.815000 5 153 159 158 HC 4.649000 -4.894000 -5.327000 5 154 160 159 HC 5.508000 -4.205000 -6.684000 5 154 161 160 N 7.156000 2.230000 -0.780000 46 145 161 166 162 161 CH1 6.782000 3.088000 0.345000 21 160 162 164 163 162 C 5.261000 3.331000 0.395000 7 161 163 167 164 163 O 4.586000 3.165000 -0.624000 57 162 165 164 CH2 7.554000 4.394000 0.119000 23 161 165 166 165 CH2 7.677000 4.474000 -1.401000 23 164 166 167 166 CH2 7.820000 3.010000 -1.816000 25 160 165 168 167 N 4.710000 3.739000 1.555000 46 162 168 173 169 168 CH1 3.287000 4.031000 1.686000 21 167 169 171 170 169 C 2.901000 5.305000 0.913000 7 168 170 174 171 170 O 3.684000 6.256000 0.871000 57 169 172 171 CH2 3.035000 4.190000 3.187000 23 168 172 173 172 CH2 4.385000 4.655000 3.729000 23 171 173 174 173 CH2 5.393000 3.949000 2.823000 25 167 172 175 174 N 1.688000 5.360000 0.336000 46 169 175 180 176 175 CH1 1.185000 6.543000 -0.353000 21 174 176 178 177 176 C 0.715000 7.607000 0.655000 7 175 177 181 178 177 O -0.124000 7.324000 1.513000 57 176 179 178 CH2 0.048000 6.014000 -1.229000 23 175 179 180 179 CH2 -0.519000 4.852000 -0.412000 23 178 180 181 180 CH2 0.716000 4.275000 0.272000 25 174 179 182 181 NH1 1.271000 8.822000 0.549000 47 176 182 185 183 182 CH1 0.852000 10.027000 1.285000 21 181 183 186 184 183 C -0.406000 10.657000 0.683000 9 182 184 189 185 184 OC -0.387000 10.916000 -0.540000 59 183 186 185 H 1.969000 8.961000 -0.165000 1 181 187 186 CH2 1.972000 11.071000 1.284000 27 182 187 188 187 OH1 3.120000 10.541000 1.911000 61 186 188 189 188 H 2.831000 10.040000 2.676000 4 187 190 189 OC -1.341000 10.903000 1.473000 59 183 191