USER MOD reduce.3.24.130724 H: found=0, std=0, add=15, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) ATOM 49 N ASN A 13 4.293 1.337 3.189 1.00 0.00 N ATOM 50 CA ASN A 13 4.952 2.644 3.144 1.00 0.00 C ATOM 51 C ASN A 13 3.945 3.742 2.888 1.00 0.00 C ATOM 52 O ASN A 13 2.847 3.738 3.475 1.00 0.00 O ATOM 53 N LEU A 14 4.271 4.715 2.064 1.00 0.00 N ATOM 54 CA LEU A 14 3.470 5.915 1.803 1.00 0.00 C ATOM 55 C LEU A 14 3.876 7.030 2.737 1.00 0.00 C ATOM 56 O LEU A 14 3.635 8.220 2.438 1.00 0.00 O ATOM 0 H LEU A 14 5.139 4.700 1.529 1.00 0.00 H new ATOM 69 N CYS A 18 3.640 9.904 -0.158 1.00 0.00 N ATOM 70 CA CYS A 18 2.273 10.355 0.119 1.00 0.00 C ATOM 71 C CYS A 18 2.010 10.452 1.606 1.00 0.00 C ATOM 72 O CYS A 18 1.158 9.756 2.170 1.00 0.00 O ATOM 73 N MET A 19 2.732 11.340 2.266 1.00 0.00 N ATOM 74 CA MET A 19 2.489 11.650 3.672 1.00 0.00 C ATOM 75 C MET A 19 3.066 12.995 4.047 1.00 0.00 C ATOM 76 O MET A 19 2.456 13.782 4.783 1.00 0.00 O ATOM 0 H MET A 19 3.500 11.866 1.849 1.00 0.00 H new ATOM 85 N LYS A 22 1.379 16.804 -0.508 1.00 0.00 N ATOM 86 CA LYS A 22 0.084 16.567 -1.139 1.00 0.00 C ATOM 87 C LYS A 22 0.247 15.870 -2.469 1.00 0.00 C ATOM 88 O LYS A 22 0.920 16.359 -3.385 1.00 0.00 O ATOM 89 N CYS A 23 -0.382 14.717 -2.600 1.00 0.00 N ATOM 90 CA CYS A 23 -0.239 13.889 -3.798 1.00 0.00 C ATOM 91 C CYS A 23 -1.593 13.454 -4.304 1.00 0.00 C ATOM 92 O CYS A 23 -2.605 14.153 -4.107 1.00 0.00 O ATOM 0 H CYS A 23 -1.002 14.325 -1.891 1.00 0.00 H new ATOM 93 N SER A 24 -1.667 12.303 -4.944 1.00 0.00 N ATOM 94 CA SER A 24 -2.902 11.840 -5.574 1.00 0.00 C ATOM 95 C SER A 24 -3.384 10.545 -4.962 1.00 0.00 C ATOM 96 O SER A 24 -2.603 9.685 -4.539 1.00 0.00 O ATOM 0 H SER A 24 -0.881 11.661 -5.045 1.00 0.00 H new ATOM 97 N PHE A 25 -4.694 10.393 -4.889 1.00 0.00 N ATOM 98 CA PHE A 25 -5.314 9.152 -4.431 1.00 0.00 C ATOM 99 C PHE A 25 -4.779 7.948 -5.170 1.00 0.00 C ATOM 100 O PHE A 25 -4.754 6.827 -4.635 1.00 0.00 O ATOM 0 H PHE A 25 -5.361 11.121 -5.144 1.00 0.00 H new ATOM 109 N ALA A 28 -2.414 4.902 -3.866 1.00 0.00 N ATOM 110 CA ALA A 28 -2.961 4.380 -2.604 1.00 0.00 C ATOM 111 C ALA A 28 -3.690 3.087 -2.882 1.00 0.00 C ATOM 112 O ALA A 28 -3.625 2.127 -2.112 1.00 0.00 O ATOM 113 N ARG A 29 -4.420 3.060 -3.981 1.00 0.00 N ATOM 114 CA ARG A 29 -5.035 1.830 -4.466 1.00 0.00 C ATOM 115 C ARG A 29 -4.091 0.655 -4.389 1.00 0.00 C ATOM 116 O ARG A 29 -4.533 -0.505 -4.252 1.00 0.00 O ATOM 0 H ARG A 29 -4.605 3.879 -4.561 1.00 0.00 H new ATOM 121 N VAL A 31 -1.423 0.153 -2.079 1.00 0.00 N ATOM 122 CA VAL A 31 -1.187 -0.277 -0.697 1.00 0.00 C ATOM 123 C VAL A 31 -2.363 -1.095 -0.211 1.00 0.00 C ATOM 124 O VAL A 31 -2.217 -2.169 0.385 1.00 0.00 O ATOM 125 N PHE A 32 -3.559 -0.604 -0.478 1.00 0.00 N ATOM 126 CA PHE A 32 -4.789 -1.353 -0.241 1.00 0.00 C ATOM 127 C PHE A 32 -5.538 -1.561 -1.540 1.00 0.00 C ATOM 128 O PHE A 32 -6.237 -0.659 -2.027 1.00 0.00 O ATOM 0 H PHE A 32 -3.710 0.327 -0.866 1.00 0.00 H new ATOM 133 N ASN A 34 -8.220 -3.520 -2.134 1.00 0.00 N ATOM 134 CA ASN A 34 -9.566 -3.186 -1.669 1.00 0.00 C ATOM 135 C ASN A 34 -9.738 -1.679 -1.602 1.00 0.00 C ATOM 136 O ASN A 34 -9.223 -1.000 -0.706 1.00 0.00 O ATOM 137 N THR A 35 -10.480 -1.143 -2.553 1.00 0.00 N ATOM 138 CA THR A 35 -10.625 0.302 -2.699 1.00 0.00 C ATOM 139 C THR A 35 -11.150 0.944 -1.436 1.00 0.00 C ATOM 140 O THR A 35 -10.767 2.067 -1.079 1.00 0.00 O ATOM 0 H THR A 35 -10.997 -1.688 -3.243 1.00 0.00 H new ATOM 145 N ARG A 37 -10.672 0.897 1.674 1.00 0.00 N ATOM 146 CA ARG A 37 -9.746 1.484 2.649 1.00 0.00 C ATOM 147 C ARG A 37 -9.110 2.724 2.055 1.00 0.00 C ATOM 148 O ARG A 37 -9.060 3.792 2.673 1.00 0.00 O ATOM 149 N THR A 38 -8.602 2.584 0.846 1.00 0.00 N ATOM 150 CA THR A 38 -8.073 3.712 0.086 1.00 0.00 C ATOM 151 C THR A 38 -8.938 4.949 0.180 1.00 0.00 C ATOM 152 O THR A 38 -8.440 6.085 0.091 1.00 0.00 O ATOM 0 H THR A 38 -8.542 1.690 0.359 1.00 0.00 H new ATOM 153 N THR A 39 -10.233 4.773 0.358 1.00 0.00 N ATOM 154 CA THR A 39 -11.174 5.890 0.326 1.00 0.00 C ATOM 155 C THR A 39 -11.364 6.502 1.695 1.00 0.00 C ATOM 156 O THR A 39 -10.865 7.599 1.983 1.00 0.00 O ATOM 0 H THR A 39 -10.665 3.865 0.527 1.00 0.00 H new ATOM 161 N PHE A 41 -10.104 6.328 4.456 1.00 0.00 N ATOM 162 CA PHE A 41 -8.886 6.823 5.098 1.00 0.00 C ATOM 163 C PHE A 41 -8.393 8.078 4.417 1.00 0.00 C ATOM 164 O PHE A 41 -7.965 9.046 5.056 1.00 0.00 O ATOM 165 N TRP A 42 -8.443 8.075 3.098 1.00 0.00 N ATOM 166 CA TRP A 42 -8.070 9.245 2.309 1.00 0.00 C ATOM 167 C TRP A 42 -9.103 10.347 2.362 1.00 0.00 C ATOM 168 O TRP A 42 -8.933 11.403 1.726 1.00 0.00 O ATOM 0 H TRP A 42 -8.740 7.272 2.543 1.00 0.00 H new ATOM 169 N LYS A 43 -10.173 10.163 3.107 1.00 0.00 N ATOM 170 CA LYS A 43 -11.170 11.211 3.313 1.00 0.00 C ATOM 171 C LYS A 43 -10.717 12.189 4.371 1.00 0.00 C ATOM 172 O LYS A 43 -11.054 13.379 4.353 1.00 0.00 O ATOM 0 H LYS A 43 -10.382 9.288 3.588 1.00 0.00 H new ATOM 173 N GLN A 44 -9.952 11.694 5.326 1.00 0.00 N ATOM 174 CA GLN A 44 -9.344 12.539 6.352 1.00 0.00 C ATOM 175 C GLN A 44 -7.947 12.975 5.980 1.00 0.00 C ATOM 176 O GLN A 44 -7.096 13.235 6.847 1.00 0.00 O ATOM 0 H GLN A 44 -9.732 10.702 5.418 1.00 0.00 H new ATOM 177 N TYR A 45 -7.667 13.055 4.694 1.00 0.00 N ATOM 178 CA TYR A 45 -6.391 13.571 4.198 1.00 0.00 C ATOM 179 C TYR A 45 -6.585 14.454 2.988 1.00 0.00 C ATOM 180 O TYR A 45 -5.725 14.590 2.102 1.00 0.00 O ATOM 0 H TYR A 45 -8.312 12.766 3.958 1.00 0.00 H new ATOM 181 N VAL A 46 -7.745 15.077 2.905 1.00 0.00 N ATOM 182 CA VAL A 46 -8.052 16.061 1.859 1.00 0.00 C ATOM 183 C VAL A 46 -8.812 17.216 2.480 1.00 0.00 C ATOM 184 O VAL A 46 -8.569 17.577 3.647 1.00 0.00 O ATOM 0 H VAL A 46 -8.511 14.921 3.560 1.00 0.00 H new