USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 SER OG : rot 97:sc= -2.3! USER MOD Set 1.2: B 133 GLN : amide:sc= -0.204 X(o=-2.5,f=-2.4) USER MOD Set 2.1: A 3 GLN : amide:sc= -0.196 K(o=0.028,f=-1.9!) USER MOD Set 2.2: B 114 TYR OH : rot -130:sc= -1.05! USER MOD Set 2.3: B 115 GLN : amide:sc= -0.168! C(o=0.028!,f=-21!) USER MOD Set 2.4: B 118 LYS NZ :NH3+ 154:sc= 1.44 (180deg=0.264) USER MOD Set 3.1: A 33 GLN : amide:sc=-0.00915 K(o=-1.4,f=-0.58) USER MOD Set 3.2: B 113 SER OG : rot 100:sc= -1.42! USER MOD Set 4.1: A 14 TYR OH : rot 120:sc= -1.51! USER MOD Set 4.2: A 15 GLN : amide:sc= 0 K(o=-2.1,f=-2.9) USER MOD Set 4.3: A 18 LYS NZ :NH3+ 164:sc= 0.705! (180deg=0.0183) USER MOD Set 4.4: B 103 GLN : amide:sc= -1.34! C(o=-2.1!,f=-17!) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 0.424 (180deg=0.237) USER MOD Single : A 6 THR OG1 : rot -140:sc= -2.78! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 165:sc= -0.288 USER MOD Single : A 23 ASN : amide:sc= -2.61 K(o=-2.6,f=-10!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0352 USER MOD Single : A 29 SER OG : rot -79:sc= 1.11 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -93:sc= -3.4! USER MOD Single : A 32 MET CE :methyl -148:sc= -12.4! (180deg=-15.4!) USER MOD Single : A 34 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.1) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot -140:sc= -1.8 USER MOD Single : B 108 THR OG1 : rot 48:sc= 0.056 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 120 TYR OH : rot 130:sc= -0.213 USER MOD Single : B 123 ASN : amide:sc= 0.433 K(o=0.43,f=-3.2!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot 180:sc= -0.35 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 131 THR OG1 : rot 120:sc= -0.907 USER MOD Single : B 132 MET CE :methyl 141:sc= -18.3! (180deg=-22.8!) USER MOD Single : B 134 ASN : amide:sc=-0.000442 X(o=-0.00044,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 3.900 -11.593 13.391 1.00 0.00 N ATOM 21 CA LYS A 2 3.759 -11.085 12.022 1.00 0.00 C ATOM 22 C LYS A 2 2.364 -11.370 11.478 1.00 0.00 C ATOM 23 O LYS A 2 1.950 -12.527 11.373 1.00 0.00 O ATOM 24 CB LYS A 2 4.820 -11.679 11.083 1.00 0.00 C ATOM 25 CG LYS A 2 6.142 -10.929 11.097 1.00 0.00 C ATOM 26 CD LYS A 2 6.007 -9.540 10.491 1.00 0.00 C ATOM 27 CE LYS A 2 6.598 -8.472 11.395 1.00 0.00 C ATOM 28 NZ LYS A 2 5.628 -8.036 12.438 1.00 0.00 N ATOM 0 HA LYS A 2 3.910 -10.006 12.063 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.999 -12.717 11.363 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.428 -11.686 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.502 -10.845 12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.889 -11.497 10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.508 -9.515 9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.954 -9.322 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.498 -8.857 11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.899 -7.613 10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.072 -7.319 13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.786 -7.630 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.348 -8.854 13.015 1.00 0.00 H new ATOM 42 N GLN A 3 1.644 -10.311 11.119 1.00 0.00 N ATOM 43 CA GLN A 3 0.303 -10.463 10.573 1.00 0.00 C ATOM 44 C GLN A 3 0.294 -10.111 9.104 1.00 0.00 C ATOM 45 O GLN A 3 0.442 -8.950 8.730 1.00 0.00 O ATOM 46 CB GLN A 3 -0.721 -9.598 11.335 1.00 0.00 C ATOM 47 CG GLN A 3 -2.054 -9.458 10.607 1.00 0.00 C ATOM 48 CD GLN A 3 -3.236 -9.935 11.426 1.00 0.00 C ATOM 49 OE1 GLN A 3 -3.195 -9.947 12.654 1.00 0.00 O ATOM 50 NE2 GLN A 3 -4.302 -10.323 10.747 1.00 0.00 N ATOM 0 H GLN A 3 1.965 -9.346 11.196 1.00 0.00 H new ATOM 0 HA GLN A 3 0.011 -11.506 10.693 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.896 -10.036 12.318 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.298 -8.607 11.498 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.205 -8.413 10.338 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.013 -10.024 9.676 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.294 -10.297 9.727 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.132 -10.648 11.243 1.00 0.00 H new ATOM 59 N ARG A 4 0.142 -11.118 8.264 1.00 0.00 N ATOM 60 CA ARG A 4 0.147 -10.870 6.841 1.00 0.00 C ATOM 61 C ARG A 4 -1.185 -10.341 6.346 1.00 0.00 C ATOM 62 O ARG A 4 -2.182 -11.059 6.254 1.00 0.00 O ATOM 63 CB ARG A 4 0.562 -12.091 6.035 1.00 0.00 C ATOM 64 CG ARG A 4 1.454 -11.708 4.866 1.00 0.00 C ATOM 65 CD ARG A 4 2.106 -12.925 4.237 1.00 0.00 C ATOM 66 NE ARG A 4 3.568 -12.865 4.289 1.00 0.00 N ATOM 67 CZ ARG A 4 4.330 -13.605 5.087 1.00 0.00 C ATOM 68 NH1 ARG A 4 3.790 -14.382 6.010 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.637 -13.547 4.974 1.00 0.00 N ATOM 0 H ARG A 4 0.016 -12.093 8.537 1.00 0.00 H new ATOM 0 HA ARG A 4 0.899 -10.097 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.088 -12.793 6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.326 -12.603 5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.864 -11.182 4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.225 -11.017 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.764 -13.823 4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.785 -13.010 3.199 1.00 0.00 H new ATOM 0 HE ARG A 4 4.036 -12.206 3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.776 -14.419 6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.387 -14.945 6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.062 -12.936 4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.227 -14.113 5.584 1.00 0.00 H new ATOM 83 N ILE A 5 -1.145 -9.082 5.974 1.00 0.00 N ATOM 84 CA ILE A 5 -2.276 -8.375 5.407 1.00 0.00 C ATOM 85 C ILE A 5 -1.994 -8.259 3.932 1.00 0.00 C ATOM 86 O ILE A 5 -0.878 -7.904 3.563 1.00 0.00 O ATOM 87 CB ILE A 5 -2.418 -6.965 6.007 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.632 -5.963 5.152 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.905 -6.986 7.429 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.436 -4.594 5.759 1.00 0.00 C ATOM 0 H ILE A 5 -0.307 -8.506 6.058 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.202 -8.910 5.617 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.464 -6.658 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.652 -6.388 4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.146 -5.847 4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.001 -5.992 7.865 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.487 -7.697 8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.857 -7.285 7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.869 -3.968 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.407 -4.137 5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.890 -4.687 6.698 1.00 0.00 H new ATOM 102 N THR A 6 -2.929 -8.600 3.080 1.00 0.00 N ATOM 103 CA THR A 6 -2.627 -8.543 1.667 1.00 0.00 C ATOM 104 C THR A 6 -3.699 -7.814 0.839 1.00 0.00 C ATOM 105 O THR A 6 -4.880 -8.143 0.904 1.00 0.00 O ATOM 106 CB THR A 6 -2.312 -9.973 1.160 1.00 0.00 C ATOM 107 OG1 THR A 6 -3.234 -10.407 0.175 1.00 0.00 O ATOM 108 CG2 THR A 6 -2.305 -11.034 2.248 1.00 0.00 C ATOM 0 H THR A 6 -3.870 -8.909 3.323 1.00 0.00 H new ATOM 0 HA THR A 6 -1.740 -7.926 1.526 1.00 0.00 H new ATOM 0 HB THR A 6 -1.307 -9.877 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.450 -11.352 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.076 -12.005 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.549 -10.786 2.993 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.285 -11.073 2.724 1.00 0.00 H new ATOM 116 N VAL A 7 -3.247 -6.859 0.002 1.00 0.00 N ATOM 117 CA VAL A 7 -4.114 -6.109 -0.918 1.00 0.00 C ATOM 118 C VAL A 7 -3.985 -6.733 -2.299 1.00 0.00 C ATOM 119 O VAL A 7 -3.020 -6.458 -3.009 1.00 0.00 O ATOM 120 CB VAL A 7 -3.721 -4.585 -0.995 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.801 -3.978 -2.427 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.585 -3.797 -0.041 1.00 0.00 C ATOM 0 H VAL A 7 -2.265 -6.588 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.139 -6.161 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.671 -4.519 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.515 -2.927 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.123 -4.517 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.821 -4.065 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.315 -2.742 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.633 -3.917 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.432 -4.162 0.975 1.00 0.00 H new ATOM 132 N THR A 8 -4.921 -7.595 -2.681 1.00 0.00 N ATOM 133 CA THR A 8 -4.846 -8.226 -3.991 1.00 0.00 C ATOM 134 C THR A 8 -5.149 -7.191 -5.075 1.00 0.00 C ATOM 135 O THR A 8 -6.170 -7.253 -5.757 1.00 0.00 O ATOM 136 CB THR A 8 -5.782 -9.432 -4.077 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.966 -9.220 -3.333 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.143 -10.707 -3.574 1.00 0.00 C ATOM 0 H THR A 8 -5.724 -7.868 -2.115 1.00 0.00 H new ATOM 0 HA THR A 8 -3.836 -8.603 -4.149 1.00 0.00 H new ATOM 0 HB THR A 8 -6.011 -9.543 -5.137 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.545 -10.007 -3.408 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.854 -11.529 -3.659 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.258 -10.930 -4.170 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.856 -10.583 -2.530 1.00 0.00 H new ATOM 146 N VAL A 9 -4.232 -6.238 -5.201 1.00 0.00 N ATOM 147 CA VAL A 9 -4.334 -5.149 -6.164 1.00 0.00 C ATOM 148 C VAL A 9 -3.695 -5.571 -7.508 1.00 0.00 C ATOM 149 O VAL A 9 -4.047 -6.642 -7.989 1.00 0.00 O ATOM 150 CB VAL A 9 -3.713 -3.869 -5.543 1.00 0.00 C ATOM 151 CG1 VAL A 9 -2.259 -4.095 -5.153 1.00 0.00 C ATOM 152 CG2 VAL A 9 -3.880 -2.652 -6.441 1.00 0.00 C ATOM 0 H VAL A 9 -3.387 -6.200 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.375 -4.919 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.267 -3.653 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.852 -3.181 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.200 -4.900 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.683 -4.366 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.429 -1.782 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.389 -2.835 -7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.941 -2.465 -6.607 1.00 0.00 H new ATOM 162 N ASP A 10 -2.813 -4.741 -8.126 1.00 0.00 N ATOM 163 CA ASP A 10 -2.173 -5.045 -9.451 1.00 0.00 C ATOM 164 C ASP A 10 -2.629 -4.057 -10.516 1.00 0.00 C ATOM 165 O ASP A 10 -2.560 -4.314 -11.717 1.00 0.00 O ATOM 166 CB ASP A 10 -2.569 -6.402 -9.939 1.00 0.00 C ATOM 167 CG ASP A 10 -1.763 -6.902 -11.122 1.00 0.00 C ATOM 168 OD1 ASP A 10 -0.534 -7.060 -10.981 1.00 0.00 O ATOM 169 OD2 ASP A 10 -2.370 -7.154 -12.186 1.00 0.00 O ATOM 0 H ASP A 10 -2.522 -3.847 -7.730 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.096 -4.984 -9.294 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.468 -7.113 -9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.623 -6.382 -10.215 1.00 0.00 H new ATOM 174 N SER A 11 -3.061 -2.925 -10.051 1.00 0.00 N ATOM 175 CA SER A 11 -3.517 -1.845 -10.923 1.00 0.00 C ATOM 176 C SER A 11 -4.124 -0.668 -10.163 1.00 0.00 C ATOM 177 O SER A 11 -4.108 0.453 -10.681 1.00 0.00 O ATOM 178 CB SER A 11 -4.535 -2.363 -11.947 1.00 0.00 C ATOM 179 OG SER A 11 -5.639 -2.984 -11.311 1.00 0.00 O ATOM 0 H SER A 11 -3.114 -2.707 -9.056 1.00 0.00 H new ATOM 0 HA SER A 11 -2.625 -1.480 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.887 -1.535 -12.563 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.051 -3.075 -12.615 1.00 0.00 H new ATOM 0 HG SER A 11 -6.271 -3.302 -11.989 1.00 0.00 H new ATOM 185 N ASP A 12 -4.693 -0.889 -8.967 1.00 0.00 N ATOM 186 CA ASP A 12 -5.315 0.215 -8.264 1.00 0.00 C ATOM 187 C ASP A 12 -4.290 1.076 -7.521 1.00 0.00 C ATOM 188 O ASP A 12 -4.237 1.095 -6.299 1.00 0.00 O ATOM 189 CB ASP A 12 -6.418 -0.312 -7.347 1.00 0.00 C ATOM 190 CG ASP A 12 -7.599 -0.840 -8.138 1.00 0.00 C ATOM 191 OD1 ASP A 12 -8.309 -0.021 -8.760 1.00 0.00 O ATOM 192 OD2 ASP A 12 -7.801 -2.071 -8.149 1.00 0.00 O ATOM 0 H ASP A 12 -4.730 -1.790 -8.491 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.775 0.879 -8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.018 -1.106 -6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.752 0.486 -6.683 1.00 0.00 H new ATOM 197 N SER A 13 -3.487 1.805 -8.299 1.00 0.00 N ATOM 198 CA SER A 13 -2.461 2.726 -7.784 1.00 0.00 C ATOM 199 C SER A 13 -1.402 2.102 -6.857 1.00 0.00 C ATOM 200 O SER A 13 -0.387 2.747 -6.588 1.00 0.00 O ATOM 201 CB SER A 13 -3.139 3.896 -7.084 1.00 0.00 C ATOM 202 OG SER A 13 -3.737 4.763 -8.035 1.00 0.00 O ATOM 0 H SER A 13 -3.528 1.775 -9.318 1.00 0.00 H new ATOM 0 HA SER A 13 -1.901 3.050 -8.661 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.897 3.525 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.408 4.446 -6.490 1.00 0.00 H new ATOM 0 HG SER A 13 -4.689 4.547 -8.122 1.00 0.00 H new ATOM 208 N TYR A 14 -1.598 0.865 -6.384 1.00 0.00 N ATOM 209 CA TYR A 14 -0.600 0.227 -5.517 1.00 0.00 C ATOM 210 C TYR A 14 0.752 0.186 -6.225 1.00 0.00 C ATOM 211 O TYR A 14 1.766 0.618 -5.677 1.00 0.00 O ATOM 212 CB TYR A 14 -1.007 -1.192 -5.134 1.00 0.00 C ATOM 213 CG TYR A 14 0.138 -2.178 -5.234 1.00 0.00 C ATOM 214 CD1 TYR A 14 1.176 -2.181 -4.307 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.189 -3.091 -6.269 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.214 -3.063 -4.410 1.00 0.00 C ATOM 217 CE2 TYR A 14 1.225 -3.982 -6.378 1.00 0.00 C ATOM 218 CZ TYR A 14 2.237 -3.970 -5.448 1.00 0.00 C ATOM 219 OH TYR A 14 3.267 -4.878 -5.552 1.00 0.00 O ATOM 0 H TYR A 14 -2.421 0.296 -6.582 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.531 0.820 -4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.392 -1.192 -4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.820 -1.519 -5.782 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.161 -1.473 -3.491 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.601 -3.103 -7.005 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.012 -3.050 -3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.246 -4.691 -7.192 1.00 0.00 H new ATOM 0 HH TYR A 14 2.906 -5.788 -5.512 1.00 0.00 H new ATOM 229 N GLN A 15 0.752 -0.374 -7.439 1.00 0.00 N ATOM 230 CA GLN A 15 1.976 -0.515 -8.223 1.00 0.00 C ATOM 231 C GLN A 15 2.773 0.789 -8.303 1.00 0.00 C ATOM 232 O GLN A 15 3.983 0.758 -8.179 1.00 0.00 O ATOM 233 CB GLN A 15 1.657 -1.001 -9.644 1.00 0.00 C ATOM 234 CG GLN A 15 0.462 -1.940 -9.734 1.00 0.00 C ATOM 235 CD GLN A 15 0.534 -2.855 -10.937 1.00 0.00 C ATOM 236 OE1 GLN A 15 1.107 -3.935 -10.867 1.00 0.00 O ATOM 237 NE2 GLN A 15 -0.042 -2.423 -12.048 1.00 0.00 N ATOM 0 H GLN A 15 -0.084 -0.736 -7.897 1.00 0.00 H new ATOM 0 HA GLN A 15 2.590 -1.254 -7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.471 -0.134 -10.278 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.534 -1.508 -10.047 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.407 -2.542 -8.827 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.455 -1.353 -9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.509 -1.516 -12.061 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.019 -2.997 -12.891 1.00 0.00 H new ATOM 246 N LEU A 16 2.107 1.928 -8.503 1.00 0.00 N ATOM 247 CA LEU A 16 2.811 3.220 -8.592 1.00 0.00 C ATOM 248 C LEU A 16 3.715 3.463 -7.375 1.00 0.00 C ATOM 249 O LEU A 16 4.915 3.704 -7.519 1.00 0.00 O ATOM 250 CB LEU A 16 1.806 4.370 -8.719 1.00 0.00 C ATOM 251 CG LEU A 16 1.976 5.247 -9.962 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.677 5.965 -10.293 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.098 6.252 -9.755 1.00 0.00 C ATOM 0 H LEU A 16 1.094 1.988 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 16 3.440 3.183 -9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.799 3.953 -8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.886 5.001 -7.834 1.00 0.00 H new ATOM 0 HG LEU A 16 2.237 4.603 -10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.819 6.583 -11.180 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.106 5.231 -10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.386 6.596 -9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.205 6.867 -10.648 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.863 6.889 -8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.031 5.722 -9.566 1.00 0.00 H new ATOM 265 N LEU A 17 3.111 3.408 -6.188 1.00 0.00 N ATOM 266 CA LEU A 17 3.857 3.640 -4.940 1.00 0.00 C ATOM 267 C LEU A 17 5.151 2.828 -4.913 1.00 0.00 C ATOM 268 O LEU A 17 6.227 3.341 -4.606 1.00 0.00 O ATOM 269 CB LEU A 17 3.028 3.286 -3.724 1.00 0.00 C ATOM 270 CG LEU A 17 2.692 4.457 -2.792 1.00 0.00 C ATOM 271 CD1 LEU A 17 3.919 4.879 -2.002 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.132 5.628 -3.580 1.00 0.00 C ATOM 0 H LEU A 17 2.119 3.208 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 17 4.096 4.703 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.096 2.833 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.561 2.529 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 17 1.928 4.126 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.661 5.711 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.272 4.040 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.706 5.189 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.901 6.447 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.869 5.961 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.224 5.318 -4.096 1.00 0.00 H new ATOM 284 N LYS A 18 5.026 1.559 -5.249 1.00 0.00 N ATOM 285 CA LYS A 18 6.165 0.647 -5.279 1.00 0.00 C ATOM 286 C LYS A 18 6.980 0.828 -6.549 1.00 0.00 C ATOM 287 O LYS A 18 8.196 0.635 -6.556 1.00 0.00 O ATOM 288 CB LYS A 18 5.692 -0.793 -5.154 1.00 0.00 C ATOM 289 CG LYS A 18 4.779 -1.226 -6.277 1.00 0.00 C ATOM 290 CD LYS A 18 4.924 -2.718 -6.513 1.00 0.00 C ATOM 291 CE LYS A 18 4.242 -3.190 -7.787 1.00 0.00 C ATOM 292 NZ LYS A 18 4.092 -4.673 -7.790 1.00 0.00 N ATOM 0 H LYS A 18 4.139 1.128 -5.509 1.00 0.00 H new ATOM 0 HA LYS A 18 6.808 0.882 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.560 -1.451 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.171 -0.915 -4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.745 -0.987 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.023 -0.679 -7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.983 -2.971 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.505 -3.257 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.262 -2.721 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.824 -2.877 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.400 -4.950 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.010 -5.114 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.761 -4.990 -6.856 1.00 0.00 H new ATOM 306 N ALA A 19 6.292 1.215 -7.606 1.00 0.00 N ATOM 307 CA ALA A 19 6.918 1.457 -8.897 1.00 0.00 C ATOM 308 C ALA A 19 7.927 2.589 -8.778 1.00 0.00 C ATOM 309 O ALA A 19 8.902 2.640 -9.529 1.00 0.00 O ATOM 310 CB ALA A 19 5.872 1.778 -9.957 1.00 0.00 C ATOM 0 H ALA A 19 5.284 1.371 -7.597 1.00 0.00 H new ATOM 0 HA ALA A 19 7.439 0.551 -9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.365 1.955 -10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.183 0.939 -10.054 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.319 2.670 -9.664 1.00 0.00 H new ATOM 316 N TYR A 20 7.702 3.481 -7.805 1.00 0.00 N ATOM 317 CA TYR A 20 8.613 4.578 -7.578 1.00 0.00 C ATOM 318 C TYR A 20 9.717 4.134 -6.613 1.00 0.00 C ATOM 319 O TYR A 20 10.885 4.389 -6.897 1.00 0.00 O ATOM 320 CB TYR A 20 7.866 5.867 -7.145 1.00 0.00 C ATOM 321 CG TYR A 20 7.518 6.030 -5.673 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.473 5.913 -4.671 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.215 6.342 -5.296 1.00 0.00 C ATOM 324 CE1 TYR A 20 8.136 6.090 -3.344 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.874 6.525 -3.974 1.00 0.00 C ATOM 326 CZ TYR A 20 6.838 6.395 -3.001 1.00 0.00 C ATOM 327 OH TYR A 20 6.504 6.573 -1.679 1.00 0.00 O ATOM 0 H TYR A 20 6.901 3.454 -7.175 1.00 0.00 H new ATOM 0 HA TYR A 20 9.101 4.850 -8.514 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.475 6.721 -7.441 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.939 5.923 -7.716 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.494 5.680 -4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.455 6.443 -6.056 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.889 5.989 -2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.857 6.769 -3.703 1.00 0.00 H new ATOM 0 HH TYR A 20 5.629 7.011 -1.619 1.00 0.00 H new ATOM 337 N ASP A 21 9.358 3.415 -5.517 1.00 0.00 N ATOM 338 CA ASP A 21 10.372 2.885 -4.565 1.00 0.00 C ATOM 339 C ASP A 21 9.826 2.667 -3.145 1.00 0.00 C ATOM 340 O ASP A 21 10.595 2.656 -2.181 1.00 0.00 O ATOM 341 CB ASP A 21 11.604 3.806 -4.481 1.00 0.00 C ATOM 342 CG ASP A 21 12.826 3.212 -5.155 1.00 0.00 C ATOM 343 OD1 ASP A 21 13.022 1.979 -5.063 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.594 3.981 -5.767 1.00 0.00 O ATOM 0 H ASP A 21 8.393 3.192 -5.273 1.00 0.00 H new ATOM 0 HA ASP A 21 10.655 1.914 -4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.368 4.764 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.833 4.006 -3.434 1.00 0.00 H new ATOM 349 N VAL A 22 8.515 2.507 -3.010 1.00 0.00 N ATOM 350 CA VAL A 22 7.892 2.321 -1.705 1.00 0.00 C ATOM 351 C VAL A 22 6.546 1.644 -1.848 1.00 0.00 C ATOM 352 O VAL A 22 5.522 2.306 -1.999 1.00 0.00 O ATOM 353 CB VAL A 22 7.693 3.688 -1.025 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.892 3.558 0.262 1.00 0.00 C ATOM 355 CG2 VAL A 22 9.028 4.360 -0.755 1.00 0.00 C ATOM 0 H VAL A 22 7.860 2.502 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 22 8.546 1.693 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 22 7.124 4.315 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.770 4.542 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.911 3.137 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.420 2.902 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.860 5.324 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.628 3.728 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.556 4.511 -1.696 1.00 0.00 H new ATOM 365 N ASN A 23 6.546 0.321 -1.801 1.00 0.00 N ATOM 366 CA ASN A 23 5.308 -0.427 -1.915 1.00 0.00 C ATOM 367 C ASN A 23 4.354 0.038 -0.810 1.00 0.00 C ATOM 368 O ASN A 23 3.603 0.994 -0.993 1.00 0.00 O ATOM 369 CB ASN A 23 5.580 -1.948 -1.849 1.00 0.00 C ATOM 370 CG ASN A 23 6.761 -2.397 -2.704 1.00 0.00 C ATOM 371 OD1 ASN A 23 7.603 -1.597 -3.104 1.00 0.00 O ATOM 372 ND2 ASN A 23 6.835 -3.692 -2.975 1.00 0.00 N ATOM 0 H ASN A 23 7.383 -0.251 -1.686 1.00 0.00 H new ATOM 0 HA ASN A 23 4.842 -0.238 -2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.765 -2.231 -0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.686 -2.482 -2.170 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.609 -4.053 -3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.118 -4.328 -2.626 1.00 0.00 H new ATOM 379 N ILE A 24 4.377 -0.628 0.330 1.00 0.00 N ATOM 380 CA ILE A 24 3.494 -0.230 1.419 1.00 0.00 C ATOM 381 C ILE A 24 4.033 -0.513 2.813 1.00 0.00 C ATOM 382 O ILE A 24 3.346 -0.208 3.785 1.00 0.00 O ATOM 383 CB ILE A 24 2.081 -0.841 1.308 1.00 0.00 C ATOM 384 CG1 ILE A 24 2.007 -1.830 0.163 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.042 0.253 1.131 1.00 0.00 C ATOM 386 CD1 ILE A 24 3.054 -2.896 0.275 1.00 0.00 C ATOM 0 H ILE A 24 4.979 -1.427 0.527 1.00 0.00 H new ATOM 0 HA ILE A 24 3.437 0.852 1.296 1.00 0.00 H new ATOM 0 HB ILE A 24 1.870 -1.377 2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.020 -2.292 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.128 -1.301 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.051 -0.195 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.071 0.925 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.257 0.815 0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.965 -3.583 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.043 -2.437 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.917 -3.444 1.207 1.00 0.00 H new ATOM 398 N SER A 25 5.216 -1.127 2.931 1.00 0.00 N ATOM 399 CA SER A 25 5.741 -1.456 4.260 1.00 0.00 C ATOM 400 C SER A 25 5.455 -0.322 5.259 1.00 0.00 C ATOM 401 O SER A 25 4.665 -0.485 6.205 1.00 0.00 O ATOM 402 CB SER A 25 7.245 -1.725 4.184 1.00 0.00 C ATOM 403 OG SER A 25 7.931 -0.627 3.598 1.00 0.00 O ATOM 0 H SER A 25 5.812 -1.399 2.149 1.00 0.00 H new ATOM 0 HA SER A 25 5.238 -2.357 4.611 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.636 -1.910 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.427 -2.626 3.599 1.00 0.00 H new ATOM 0 HG SER A 25 8.891 -0.822 3.562 1.00 0.00 H new ATOM 409 N GLY A 26 6.059 0.836 5.018 1.00 0.00 N ATOM 410 CA GLY A 26 5.826 1.986 5.874 1.00 0.00 C ATOM 411 C GLY A 26 4.569 2.732 5.476 1.00 0.00 C ATOM 412 O GLY A 26 3.964 3.422 6.292 1.00 0.00 O ATOM 0 H GLY A 26 6.705 1.000 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.742 1.658 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.682 2.659 5.821 1.00 0.00 H new ATOM 416 N LEU A 27 4.175 2.587 4.209 1.00 0.00 N ATOM 417 CA LEU A 27 2.998 3.237 3.684 1.00 0.00 C ATOM 418 C LEU A 27 1.733 2.732 4.370 1.00 0.00 C ATOM 419 O LEU A 27 1.051 3.506 5.034 1.00 0.00 O ATOM 420 CB LEU A 27 2.919 2.974 2.180 1.00 0.00 C ATOM 421 CG LEU A 27 2.413 4.119 1.317 1.00 0.00 C ATOM 422 CD1 LEU A 27 1.421 3.587 0.306 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.788 5.199 2.173 1.00 0.00 C ATOM 0 H LEU A 27 4.671 2.013 3.527 1.00 0.00 H new ATOM 0 HA LEU A 27 3.072 4.308 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.913 2.696 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.271 2.112 2.018 1.00 0.00 H new ATOM 0 HG LEU A 27 3.254 4.566 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.057 4.407 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.908 2.844 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.582 3.126 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.433 6.009 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.950 4.782 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.531 5.586 2.870 1.00 0.00 H new ATOM 435 N VAL A 28 1.436 1.429 4.231 1.00 0.00 N ATOM 436 CA VAL A 28 0.249 0.842 4.861 1.00 0.00 C ATOM 437 C VAL A 28 0.221 1.148 6.355 1.00 0.00 C ATOM 438 O VAL A 28 -0.683 1.816 6.834 1.00 0.00 O ATOM 439 CB VAL A 28 0.181 -0.689 4.639 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.664 -1.369 5.711 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.380 -1.006 3.264 1.00 0.00 C ATOM 0 H VAL A 28 1.998 0.770 3.692 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.622 1.294 4.387 1.00 0.00 H new ATOM 0 HB VAL A 28 1.198 -1.075 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.691 -2.443 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.228 -1.181 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.678 -0.970 5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.420 -2.087 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.385 -0.592 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.261 -0.567 2.499 1.00 0.00 H new ATOM 451 N SER A 29 1.214 0.657 7.079 1.00 0.00 N ATOM 452 CA SER A 29 1.315 0.858 8.520 1.00 0.00 C ATOM 453 C SER A 29 1.114 2.321 8.920 1.00 0.00 C ATOM 454 O SER A 29 0.438 2.601 9.912 1.00 0.00 O ATOM 455 CB SER A 29 2.688 0.393 8.982 1.00 0.00 C ATOM 456 OG SER A 29 3.716 0.918 8.152 1.00 0.00 O ATOM 0 H SER A 29 1.976 0.106 6.685 1.00 0.00 H new ATOM 0 HA SER A 29 0.524 0.280 8.997 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.853 0.707 10.013 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.729 -0.696 8.970 1.00 0.00 H new ATOM 0 HG SER A 29 3.769 0.394 7.326 1.00 0.00 H new ATOM 462 N THR A 30 1.662 3.256 8.145 1.00 0.00 N ATOM 463 CA THR A 30 1.479 4.668 8.451 1.00 0.00 C ATOM 464 C THR A 30 0.072 5.080 8.051 1.00 0.00 C ATOM 465 O THR A 30 -0.632 5.737 8.817 1.00 0.00 O ATOM 466 CB THR A 30 2.539 5.543 7.759 1.00 0.00 C ATOM 467 OG1 THR A 30 3.003 6.549 8.642 1.00 0.00 O ATOM 468 CG2 THR A 30 2.056 6.240 6.505 1.00 0.00 C ATOM 0 H THR A 30 2.225 3.064 7.317 1.00 0.00 H new ATOM 0 HA THR A 30 1.608 4.819 9.523 1.00 0.00 H new ATOM 0 HB THR A 30 3.327 4.846 7.476 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.678 7.096 8.189 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.867 6.834 6.084 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.734 5.496 5.776 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.218 6.893 6.751 1.00 0.00 H new ATOM 476 N THR A 31 -0.349 4.670 6.850 1.00 0.00 N ATOM 477 CA THR A 31 -1.686 4.988 6.375 1.00 0.00 C ATOM 478 C THR A 31 -2.737 4.463 7.332 1.00 0.00 C ATOM 479 O THR A 31 -3.687 5.168 7.679 1.00 0.00 O ATOM 480 CB THR A 31 -1.945 4.435 4.980 1.00 0.00 C ATOM 481 OG1 THR A 31 -1.355 3.167 4.797 1.00 0.00 O ATOM 482 CG2 THR A 31 -1.436 5.369 3.918 1.00 0.00 C ATOM 0 H THR A 31 0.215 4.123 6.200 1.00 0.00 H new ATOM 0 HA THR A 31 -1.751 6.075 6.326 1.00 0.00 H new ATOM 0 HB THR A 31 -3.026 4.335 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.461 3.275 4.411 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.636 4.945 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.940 6.331 4.008 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.362 5.509 4.041 1.00 0.00 H new ATOM 490 N MET A 32 -2.548 3.220 7.769 1.00 0.00 N ATOM 491 CA MET A 32 -3.455 2.583 8.689 1.00 0.00 C ATOM 492 C MET A 32 -3.593 3.391 9.973 1.00 0.00 C ATOM 493 O MET A 32 -4.696 3.780 10.330 1.00 0.00 O ATOM 494 CB MET A 32 -2.978 1.159 8.974 1.00 0.00 C ATOM 495 CG MET A 32 -2.936 0.285 7.730 1.00 0.00 C ATOM 496 SD MET A 32 -4.543 0.085 6.962 1.00 0.00 S ATOM 497 CE MET A 32 -4.519 -1.662 6.650 1.00 0.00 C ATOM 0 H MET A 32 -1.760 2.636 7.489 1.00 0.00 H new ATOM 0 HA MET A 32 -4.445 2.535 8.235 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.983 1.197 9.418 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.638 0.701 9.711 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.246 0.722 7.008 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.541 -0.696 7.995 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.087 -1.878 5.745 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.489 -1.994 6.520 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.966 -2.188 7.493 1.00 0.00 H new ATOM 507 N GLN A 33 -2.481 3.648 10.659 1.00 0.00 N ATOM 508 CA GLN A 33 -2.515 4.417 11.906 1.00 0.00 C ATOM 509 C GLN A 33 -3.128 5.811 11.711 1.00 0.00 C ATOM 510 O GLN A 33 -3.883 6.276 12.564 1.00 0.00 O ATOM 511 CB GLN A 33 -1.109 4.525 12.502 1.00 0.00 C ATOM 512 CG GLN A 33 -0.920 5.701 13.460 1.00 0.00 C ATOM 513 CD GLN A 33 -0.180 5.326 14.732 1.00 0.00 C ATOM 514 OE1 GLN A 33 -0.646 5.601 15.838 1.00 0.00 O ATOM 515 NE2 GLN A 33 0.980 4.704 14.589 1.00 0.00 N ATOM 0 H GLN A 33 -1.551 3.339 10.377 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.157 3.879 12.603 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.879 3.600 13.031 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.388 4.614 11.689 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.372 6.493 12.949 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.897 6.108 13.722 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.334 4.493 13.656 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.520 4.436 15.412 1.00 0.00 H new ATOM 524 N ASN A 34 -2.815 6.477 10.597 1.00 0.00 N ATOM 525 CA ASN A 34 -3.368 7.812 10.343 1.00 0.00 C ATOM 526 C ASN A 34 -4.884 7.753 10.202 1.00 0.00 C ATOM 527 O ASN A 34 -5.607 8.406 10.961 1.00 0.00 O ATOM 528 CB ASN A 34 -2.745 8.447 9.093 1.00 0.00 C ATOM 529 CG ASN A 34 -1.332 8.949 9.331 1.00 0.00 C ATOM 530 OD1 ASN A 34 -1.102 9.800 10.185 1.00 0.00 O ATOM 531 ND2 ASN A 34 -0.378 8.425 8.574 1.00 0.00 N ATOM 0 H ASN A 34 -2.194 6.124 9.869 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.120 8.437 11.201 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.735 7.715 8.286 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.370 9.277 8.763 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.589 8.727 8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.611 7.720 7.875 1.00 0.00 H new ATOM 538 N GLU A 35 -5.369 6.947 9.258 1.00 0.00 N ATOM 539 CA GLU A 35 -6.807 6.801 9.063 1.00 0.00 C ATOM 540 C GLU A 35 -7.437 6.023 10.221 1.00 0.00 C ATOM 541 O GLU A 35 -8.652 6.053 10.403 1.00 0.00 O ATOM 542 CB GLU A 35 -7.100 6.117 7.727 1.00 0.00 C ATOM 543 CG GLU A 35 -6.903 7.033 6.522 1.00 0.00 C ATOM 544 CD GLU A 35 -6.131 6.376 5.393 1.00 0.00 C ATOM 545 OE1 GLU A 35 -6.324 5.165 5.164 1.00 0.00 O ATOM 546 OE2 GLU A 35 -5.335 7.078 4.735 1.00 0.00 O ATOM 0 H GLU A 35 -4.794 6.392 8.624 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.252 7.796 9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.452 5.247 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.127 5.751 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.878 7.350 6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.375 7.932 6.840 1.00 0.00 H new ATOM 553 N ALA A 36 -6.600 5.361 11.028 1.00 0.00 N ATOM 554 CA ALA A 36 -7.065 4.612 12.191 1.00 0.00 C ATOM 555 C ALA A 36 -7.160 5.515 13.414 1.00 0.00 C ATOM 556 O ALA A 36 -7.970 5.287 14.306 1.00 0.00 O ATOM 557 CB ALA A 36 -6.127 3.468 12.482 1.00 0.00 C ATOM 0 H ALA A 36 -5.590 5.332 10.891 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.057 4.220 11.966 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.484 2.917 13.352 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.088 2.801 11.621 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.129 3.858 12.684 1.00 0.00 H new ATOM 563 N ARG A 37 -6.320 6.544 13.447 1.00 0.00 N ATOM 564 CA ARG A 37 -6.324 7.496 14.545 1.00 0.00 C ATOM 565 C ARG A 37 -7.435 8.486 14.339 1.00 0.00 C ATOM 566 O ARG A 37 -8.221 8.781 15.240 1.00 0.00 O ATOM 567 CB ARG A 37 -5.036 8.288 14.579 1.00 0.00 C ATOM 568 CG ARG A 37 -4.151 7.966 15.762 1.00 0.00 C ATOM 569 CD ARG A 37 -4.780 8.431 17.068 1.00 0.00 C ATOM 570 NE ARG A 37 -5.045 7.314 17.984 1.00 0.00 N ATOM 571 CZ ARG A 37 -4.109 6.672 18.681 1.00 0.00 C ATOM 572 NH1 ARG A 37 -2.838 7.003 18.562 1.00 0.00 N ATOM 573 NH2 ARG A 37 -4.453 5.691 19.494 1.00 0.00 N ATOM 0 H ARG A 37 -5.628 6.738 12.723 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.446 6.934 15.471 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.481 8.100 13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.275 9.351 14.595 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.974 6.891 15.804 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.180 8.444 15.633 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.118 9.148 17.554 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.713 8.953 16.855 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.012 7.009 18.094 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.564 7.757 17.932 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.129 6.505 19.100 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.434 5.426 19.587 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.738 5.198 20.029 1.00 0.00 H new ATOM 587 N ARG A 38 -7.455 9.025 13.131 1.00 0.00 N ATOM 588 CA ARG A 38 -8.428 10.026 12.764 1.00 0.00 C ATOM 589 C ARG A 38 -9.811 9.419 12.447 1.00 0.00 C ATOM 590 O ARG A 38 -10.835 9.981 12.838 1.00 0.00 O ATOM 591 CB ARG A 38 -7.924 10.836 11.564 1.00 0.00 C ATOM 592 CG ARG A 38 -7.774 12.324 11.848 1.00 0.00 C ATOM 593 CD ARG A 38 -6.507 12.619 12.635 1.00 0.00 C ATOM 594 NE ARG A 38 -6.768 13.481 13.793 1.00 0.00 N ATOM 595 CZ ARG A 38 -5.878 13.755 14.741 1.00 0.00 C ATOM 596 NH1 ARG A 38 -4.657 13.264 14.676 1.00 0.00 N ATOM 597 NH2 ARG A 38 -6.217 14.525 15.755 1.00 0.00 N ATOM 0 H ARG A 38 -6.801 8.780 12.387 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.553 10.682 13.626 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.961 10.437 11.247 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.614 10.702 10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.755 12.874 10.907 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.641 12.677 12.407 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.064 11.682 12.973 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.778 13.099 11.982 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.695 13.898 13.876 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.388 12.668 13.893 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.981 13.480 15.408 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.160 14.909 15.811 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.536 14.737 16.484 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.450 -9.812 -10.618 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.488 -9.679 -9.161 1.00 0.00 C ATOM 1186 C LYS B 102 -3.088 -9.739 -8.554 1.00 0.00 C ATOM 1187 O LYS B 102 -2.380 -10.743 -8.677 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.372 -10.764 -8.529 1.00 0.00 C ATOM 1189 CG LYS B 102 -4.997 -12.186 -8.926 1.00 0.00 C ATOM 1190 CD LYS B 102 -4.248 -12.902 -7.809 1.00 0.00 C ATOM 1191 CE LYS B 102 -3.022 -13.633 -8.335 1.00 0.00 C ATOM 1192 NZ LYS B 102 -3.359 -15.008 -8.807 1.00 0.00 N ATOM 0 HA LYS B 102 -4.917 -8.701 -8.943 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.317 -10.675 -7.444 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.409 -10.582 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -5.899 -12.744 -9.176 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -4.378 -12.163 -9.823 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -3.944 -12.179 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -4.915 -13.613 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -2.583 -13.064 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -2.269 -13.692 -7.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -2.499 -15.475 -9.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -3.755 -15.559 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -4.059 -14.950 -9.574 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.707 -8.661 -7.885 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.415 -8.571 -7.236 1.00 0.00 C ATOM 1208 C GLN B 103 -1.601 -8.573 -5.743 1.00 0.00 C ATOM 1209 O GLN B 103 -2.077 -7.602 -5.162 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.634 -7.309 -7.659 1.00 0.00 C ATOM 1211 CG GLN B 103 0.639 -7.104 -6.851 1.00 0.00 C ATOM 1212 CD GLN B 103 1.895 -7.092 -7.700 1.00 0.00 C ATOM 1213 OE1 GLN B 103 2.181 -6.123 -8.405 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.666 -8.165 -7.617 1.00 0.00 N ATOM 0 H GLN B 103 -3.286 -7.828 -7.779 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.830 -9.437 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.380 -7.382 -8.716 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.276 -6.435 -7.545 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.568 -6.162 -6.307 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.720 -7.896 -6.107 1.00 0.00 H new ATOM 0 HE21 GLN B 103 2.391 -8.946 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.535 -8.211 -8.149 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.229 -9.672 -5.122 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.380 -9.789 -3.694 1.00 0.00 C ATOM 1225 C ARG B 104 -0.276 -9.010 -3.003 1.00 0.00 C ATOM 1226 O ARG B 104 0.873 -9.444 -2.940 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.340 -11.254 -3.272 1.00 0.00 C ATOM 1228 CG ARG B 104 -2.048 -11.511 -1.958 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.782 -12.914 -1.452 1.00 0.00 C ATOM 1230 NE ARG B 104 -0.560 -12.961 -0.641 1.00 0.00 N ATOM 1231 CZ ARG B 104 -0.489 -13.437 0.599 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -1.540 -13.972 1.180 1.00 0.00 N ATOM 1233 NH2 ARG B 104 0.642 -13.382 1.264 1.00 0.00 N ATOM 0 H ARG B 104 -0.824 -10.488 -5.581 1.00 0.00 H new ATOM 0 HA ARG B 104 -2.346 -9.377 -3.402 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.799 -11.863 -4.051 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -0.301 -11.574 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.715 -10.786 -1.216 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -3.121 -11.366 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -2.629 -13.256 -0.858 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -1.688 -13.597 -2.297 1.00 0.00 H new ATOM 0 HE ARG B 104 0.298 -12.602 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -2.427 -14.027 0.679 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -1.468 -14.332 2.132 1.00 0.00 H new ATOM 0 HH21 ARG B 104 1.470 -12.973 0.830 1.00 0.00 H new ATOM 0 HH22 ARG B 104 0.693 -13.748 2.215 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.649 -7.857 -2.470 1.00 0.00 N ATOM 1248 CA ILE B 105 0.286 -7.006 -1.761 1.00 0.00 C ATOM 1249 C ILE B 105 0.179 -7.293 -0.296 1.00 0.00 C ATOM 1250 O ILE B 105 -0.825 -6.979 0.313 1.00 0.00 O ATOM 1251 CB ILE B 105 -0.018 -5.524 -2.030 1.00 0.00 C ATOM 1252 CG1 ILE B 105 1.035 -4.983 -2.950 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -0.090 -4.686 -0.752 1.00 0.00 C ATOM 1254 CD1 ILE B 105 2.378 -4.803 -2.269 1.00 0.00 C ATOM 0 H ILE B 105 -1.599 -7.490 -2.517 1.00 0.00 H new ATOM 0 HA ILE B 105 1.298 -7.211 -2.109 1.00 0.00 H new ATOM 0 HB ILE B 105 -1.005 -5.459 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE B 105 1.151 -5.658 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE B 105 0.704 -4.024 -3.349 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.307 -3.649 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -0.879 -5.073 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE B 105 0.865 -4.738 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE B 105 3.099 -4.409 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE B 105 2.274 -4.106 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE B 105 2.728 -5.765 -1.894 1.00 0.00 H new ATOM 1266 N THR B 106 1.176 -7.919 0.276 1.00 0.00 N ATOM 1267 CA THR B 106 1.072 -8.258 1.673 1.00 0.00 C ATOM 1268 C THR B 106 2.134 -7.586 2.533 1.00 0.00 C ATOM 1269 O THR B 106 3.323 -7.886 2.429 1.00 0.00 O ATOM 1270 CB THR B 106 1.039 -9.796 1.853 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.154 -10.287 2.579 1.00 0.00 O ATOM 1272 CG2 THR B 106 0.982 -10.567 0.546 1.00 0.00 C ATOM 0 H THR B 106 2.042 -8.197 -0.185 1.00 0.00 H new ATOM 0 HA THR B 106 0.126 -7.858 2.038 1.00 0.00 H new ATOM 0 HB THR B 106 0.117 -9.963 2.410 1.00 0.00 H new ATOM 0 HG1 THR B 106 2.462 -11.126 2.177 1.00 0.00 H new ATOM 0 HG21 THR B 106 0.962 -11.637 0.755 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.083 -10.287 -0.003 1.00 0.00 H new ATOM 0 HG23 THR B 106 1.861 -10.331 -0.054 1.00 0.00 H new ATOM 1280 N VAL B 107 1.670 -6.738 3.455 1.00 0.00 N ATOM 1281 CA VAL B 107 2.544 -6.090 4.428 1.00 0.00 C ATOM 1282 C VAL B 107 2.386 -6.868 5.727 1.00 0.00 C ATOM 1283 O VAL B 107 1.363 -6.746 6.406 1.00 0.00 O ATOM 1284 CB VAL B 107 2.248 -4.555 4.642 1.00 0.00 C ATOM 1285 CG1 VAL B 107 0.934 -4.145 4.001 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.261 -4.149 6.131 1.00 0.00 C ATOM 0 H VAL B 107 0.686 -6.485 3.545 1.00 0.00 H new ATOM 0 HA VAL B 107 3.569 -6.111 4.057 1.00 0.00 H new ATOM 0 HB VAL B 107 3.060 -4.021 4.148 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.763 -3.082 4.169 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.975 -4.341 2.930 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.119 -4.717 4.444 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.052 -3.083 6.219 1.00 0.00 H new ATOM 0 HG22 VAL B 107 1.500 -4.714 6.669 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.241 -4.363 6.558 1.00 0.00 H new ATOM 1296 N THR B 108 3.362 -7.706 6.049 1.00 0.00 N ATOM 1297 CA THR B 108 3.286 -8.518 7.251 1.00 0.00 C ATOM 1298 C THR B 108 3.439 -7.638 8.496 1.00 0.00 C ATOM 1299 O THR B 108 4.536 -7.420 9.003 1.00 0.00 O ATOM 1300 CB THR B 108 4.331 -9.630 7.201 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.603 -9.139 6.822 1.00 0.00 O ATOM 1302 CG2 THR B 108 3.984 -10.738 6.256 1.00 0.00 C ATOM 0 H THR B 108 4.210 -7.839 5.497 1.00 0.00 H new ATOM 0 HA THR B 108 2.306 -8.992 7.307 1.00 0.00 H new ATOM 0 HB THR B 108 4.351 -10.023 8.217 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.819 -8.344 7.354 1.00 0.00 H new ATOM 0 HG21 THR B 108 4.772 -11.491 6.274 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.041 -11.192 6.559 1.00 0.00 H new ATOM 0 HG23 THR B 108 3.887 -10.338 5.247 1.00 0.00 H new ATOM 1310 N VAL B 109 2.311 -7.112 8.949 1.00 0.00 N ATOM 1311 CA VAL B 109 2.248 -6.213 10.104 1.00 0.00 C ATOM 1312 C VAL B 109 2.471 -6.940 11.442 1.00 0.00 C ATOM 1313 O VAL B 109 3.387 -7.760 11.552 1.00 0.00 O ATOM 1314 CB VAL B 109 0.887 -5.515 10.125 1.00 0.00 C ATOM 1315 CG1 VAL B 109 0.646 -4.782 8.813 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -0.182 -6.558 10.384 1.00 0.00 C ATOM 0 H VAL B 109 1.402 -7.296 8.525 1.00 0.00 H new ATOM 0 HA VAL B 109 3.055 -5.489 9.995 1.00 0.00 H new ATOM 0 HB VAL B 109 0.858 -4.769 10.919 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -0.327 -4.291 8.844 1.00 0.00 H new ATOM 0 HG12 VAL B 109 1.426 -4.035 8.665 1.00 0.00 H new ATOM 0 HG13 VAL B 109 0.666 -5.495 7.989 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -1.161 -6.079 10.403 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -0.159 -7.307 9.592 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.005 -7.040 11.344 1.00 0.00 H new ATOM 1326 N ASP B 110 1.657 -6.598 12.471 1.00 0.00 N ATOM 1327 CA ASP B 110 1.776 -7.171 13.818 1.00 0.00 C ATOM 1328 C ASP B 110 2.685 -6.281 14.678 1.00 0.00 C ATOM 1329 O ASP B 110 2.780 -6.445 15.895 1.00 0.00 O ATOM 1330 CB ASP B 110 2.269 -8.617 13.754 1.00 0.00 C ATOM 1331 CG ASP B 110 2.233 -9.335 15.094 1.00 0.00 C ATOM 1332 OD1 ASP B 110 1.225 -9.200 15.817 1.00 0.00 O ATOM 1333 OD2 ASP B 110 3.213 -10.053 15.405 1.00 0.00 O ATOM 0 H ASP B 110 0.903 -5.917 12.382 1.00 0.00 H new ATOM 0 HA ASP B 110 0.793 -7.199 14.289 1.00 0.00 H new ATOM 0 HB2 ASP B 110 1.658 -9.169 13.040 1.00 0.00 H new ATOM 0 HB3 ASP B 110 3.291 -8.627 13.374 1.00 0.00 H new ATOM 1338 N SER B 111 3.314 -5.301 14.020 1.00 0.00 N ATOM 1339 CA SER B 111 4.177 -4.332 14.685 1.00 0.00 C ATOM 1340 C SER B 111 3.903 -2.919 14.158 1.00 0.00 C ATOM 1341 O SER B 111 3.658 -2.009 14.947 1.00 0.00 O ATOM 1342 CB SER B 111 5.655 -4.685 14.498 1.00 0.00 C ATOM 1343 OG SER B 111 6.462 -4.014 15.457 1.00 0.00 O ATOM 0 H SER B 111 3.236 -5.162 13.013 1.00 0.00 H new ATOM 0 HA SER B 111 3.952 -4.363 15.751 1.00 0.00 H new ATOM 0 HB2 SER B 111 5.791 -5.762 14.593 1.00 0.00 H new ATOM 0 HB3 SER B 111 5.974 -4.411 13.492 1.00 0.00 H new ATOM 0 HG SER B 111 7.402 -4.255 15.320 1.00 0.00 H new ATOM 1349 N ASP B 112 3.999 -2.735 12.828 1.00 0.00 N ATOM 1350 CA ASP B 112 3.812 -1.423 12.200 1.00 0.00 C ATOM 1351 C ASP B 112 2.594 -0.644 12.765 1.00 0.00 C ATOM 1352 O ASP B 112 2.735 0.062 13.765 1.00 0.00 O ATOM 1353 CB ASP B 112 3.743 -1.590 10.675 1.00 0.00 C ATOM 1354 CG ASP B 112 4.683 -2.663 10.153 1.00 0.00 C ATOM 1355 OD1 ASP B 112 4.438 -3.853 10.442 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.662 -2.312 9.466 1.00 0.00 O ATOM 0 H ASP B 112 4.206 -3.485 12.169 1.00 0.00 H new ATOM 0 HA ASP B 112 4.676 -0.806 12.447 1.00 0.00 H new ATOM 0 HB2 ASP B 112 2.721 -1.839 10.388 1.00 0.00 H new ATOM 0 HB3 ASP B 112 3.985 -0.640 10.199 1.00 0.00 H new ATOM 1361 N SER B 113 1.411 -0.739 12.134 1.00 0.00 N ATOM 1362 CA SER B 113 0.206 -0.013 12.612 1.00 0.00 C ATOM 1363 C SER B 113 -0.983 -0.231 11.657 1.00 0.00 C ATOM 1364 O SER B 113 -1.779 0.671 11.401 1.00 0.00 O ATOM 1365 CB SER B 113 0.496 1.486 12.745 1.00 0.00 C ATOM 1366 OG SER B 113 0.080 1.968 14.012 1.00 0.00 O ATOM 0 H SER B 113 1.257 -1.304 11.299 1.00 0.00 H new ATOM 0 HA SER B 113 -0.056 -0.412 13.592 1.00 0.00 H new ATOM 0 HB2 SER B 113 1.563 1.668 12.614 1.00 0.00 H new ATOM 0 HB3 SER B 113 -0.020 2.032 11.955 1.00 0.00 H new ATOM 0 HG SER B 113 0.856 2.035 14.607 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.068 -1.452 11.143 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.112 -1.876 10.199 1.00 0.00 C ATOM 1374 C TYR B 114 -3.422 -2.296 10.867 1.00 0.00 C ATOM 1375 O TYR B 114 -4.508 -2.004 10.359 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.576 -3.050 9.424 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.513 -4.223 9.373 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -2.469 -5.212 10.330 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -3.404 -4.342 8.347 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -3.293 -6.307 10.266 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -4.241 -5.433 8.248 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.179 -6.424 9.218 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.999 -7.534 9.141 1.00 0.00 O ATOM 0 H TYR B 114 -0.405 -2.193 11.370 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.347 -1.019 9.568 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.354 -2.730 8.406 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.634 -3.369 9.871 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -1.770 -5.124 11.149 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -3.455 -3.566 7.597 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -3.247 -7.069 11.030 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -4.936 -5.516 7.426 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.940 -7.922 8.243 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.302 -3.075 11.946 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.466 -3.649 12.616 1.00 0.00 C ATOM 1395 C GLN B 115 -5.582 -2.636 12.875 1.00 0.00 C ATOM 1396 O GLN B 115 -6.753 -2.988 12.771 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.035 -4.292 13.939 1.00 0.00 C ATOM 1398 CG GLN B 115 -3.207 -5.561 13.770 1.00 0.00 C ATOM 1399 CD GLN B 115 -3.992 -6.822 14.072 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -4.545 -7.454 13.171 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -4.050 -7.197 15.339 1.00 0.00 N ATOM 0 H GLN B 115 -2.409 -3.321 12.372 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.877 -4.399 11.940 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -3.457 -3.567 14.512 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.924 -4.526 14.524 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -2.830 -5.610 12.748 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.339 -5.513 14.428 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -3.578 -6.646 16.056 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -4.567 -8.037 15.599 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.241 -1.401 13.217 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.260 -0.388 13.499 1.00 0.00 C ATOM 1412 C LEU B 116 -7.135 -0.027 12.279 1.00 0.00 C ATOM 1413 O LEU B 116 -8.362 -0.102 12.364 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.595 0.875 14.041 1.00 0.00 C ATOM 1415 CG LEU B 116 -6.219 1.443 15.318 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -5.480 2.694 15.768 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.695 1.748 15.108 1.00 0.00 C ATOM 0 H LEU B 116 -4.279 -1.075 13.306 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.928 -0.825 14.241 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.544 0.659 14.234 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.626 1.643 13.268 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.131 0.689 16.100 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.940 3.081 16.677 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.436 2.449 15.965 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.533 3.450 14.984 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -8.118 2.151 16.028 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.805 2.480 14.308 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.221 0.832 14.837 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.517 0.414 11.171 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.317 0.834 9.994 1.00 0.00 C ATOM 1431 C LEU B 117 -8.319 -0.232 9.567 1.00 0.00 C ATOM 1432 O LEU B 117 -9.465 0.067 9.227 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.458 1.214 8.793 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.782 2.592 8.189 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -5.981 2.859 6.932 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -8.256 2.698 7.866 1.00 0.00 C ATOM 0 H LEU B 117 -5.506 0.490 11.059 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.856 1.721 10.326 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.410 1.200 9.092 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.579 0.455 8.020 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.512 3.337 8.937 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.240 3.842 6.538 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -4.917 2.830 7.166 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -6.209 2.097 6.186 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -8.465 3.679 7.440 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -8.527 1.925 7.147 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -8.839 2.566 8.778 1.00 0.00 H new ATOM 1448 N LYS B 118 -7.879 -1.466 9.590 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.715 -2.596 9.207 1.00 0.00 C ATOM 1450 C LYS B 118 -9.662 -2.996 10.325 1.00 0.00 C ATOM 1451 O LYS B 118 -10.753 -3.510 10.079 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.838 -3.772 8.824 1.00 0.00 C ATOM 1453 CG LYS B 118 -7.055 -4.296 10.000 1.00 0.00 C ATOM 1454 CD LYS B 118 -7.121 -5.809 10.074 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.633 -6.321 11.417 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.078 -7.698 11.323 1.00 0.00 N ATOM 0 H LYS B 118 -6.934 -1.724 9.873 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.320 -2.294 8.352 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.459 -4.570 8.417 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.149 -3.469 8.035 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -6.015 -3.979 9.918 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.448 -3.867 10.922 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -8.147 -6.138 9.909 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -6.515 -6.240 9.277 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.868 -5.648 11.805 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -7.458 -6.311 12.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -5.386 -7.846 12.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -6.849 -8.390 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -5.610 -7.822 10.402 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.227 -2.755 11.548 1.00 0.00 N ATOM 1471 CA ALA B 119 -10.018 -3.078 12.726 1.00 0.00 C ATOM 1472 C ALA B 119 -11.291 -2.246 12.754 1.00 0.00 C ATOM 1473 O ALA B 119 -12.318 -2.692 13.266 1.00 0.00 O ATOM 1474 CB ALA B 119 -9.209 -2.858 13.998 1.00 0.00 C ATOM 0 H ALA B 119 -8.322 -2.333 11.755 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.292 -4.132 12.675 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.821 -3.106 14.866 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.326 -3.496 13.982 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.901 -1.814 14.057 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.216 -1.037 12.197 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.365 -0.161 12.162 1.00 0.00 C ATOM 1482 C TYR B 120 -13.209 -0.393 10.907 1.00 0.00 C ATOM 1483 O TYR B 120 -14.432 -0.418 11.016 1.00 0.00 O ATOM 1484 CB TYR B 120 -11.950 1.312 12.361 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.644 2.124 11.120 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.587 2.345 10.120 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.397 2.709 10.978 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.284 3.121 9.021 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.089 3.480 9.888 1.00 0.00 C ATOM 1490 CZ TYR B 120 -11.034 3.685 8.909 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.732 4.460 7.814 1.00 0.00 O ATOM 0 H TYR B 120 -10.374 -0.653 11.769 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.011 -0.409 13.004 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -12.749 1.816 12.905 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.068 1.330 13.001 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.569 1.903 10.206 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -9.651 2.554 11.743 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -13.024 3.285 8.252 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.109 3.925 9.798 1.00 0.00 H new ATOM 0 HH TYR B 120 -10.343 5.309 8.111 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.576 -0.605 9.728 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.366 -0.871 8.497 1.00 0.00 C ATOM 1503 C ASP B 121 -12.540 -0.857 7.199 1.00 0.00 C ATOM 1504 O ASP B 121 -13.110 -0.751 6.112 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.506 0.160 8.355 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.590 -0.283 7.389 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -16.133 -1.392 7.571 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -15.907 0.489 6.457 1.00 0.00 O ATOM 0 H ASP B 121 -11.564 -0.599 9.601 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.755 -1.881 8.624 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -14.951 0.339 9.334 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -14.090 1.109 8.016 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.219 -0.921 7.281 1.00 0.00 N ATOM 1514 CA VAL B 122 -10.403 -0.859 6.077 1.00 0.00 C ATOM 1515 C VAL B 122 -9.286 -1.892 6.059 1.00 0.00 C ATOM 1516 O VAL B 122 -8.122 -1.564 6.304 1.00 0.00 O ATOM 1517 CB VAL B 122 -9.804 0.552 5.955 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -8.985 0.698 4.684 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -10.902 1.602 6.007 1.00 0.00 C ATOM 0 H VAL B 122 -10.696 -1.014 8.152 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.051 -1.085 5.230 1.00 0.00 H new ATOM 0 HB VAL B 122 -9.134 0.705 6.801 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -8.576 1.707 4.629 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -8.169 -0.025 4.692 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -9.622 0.517 3.818 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -10.461 2.595 5.919 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -11.599 1.441 5.184 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -11.435 1.524 6.955 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.639 -3.149 5.789 1.00 0.00 N ATOM 1530 CA ASN B 123 -8.649 -4.226 5.746 1.00 0.00 C ATOM 1531 C ASN B 123 -7.669 -4.038 4.588 1.00 0.00 C ATOM 1532 O ASN B 123 -7.561 -4.901 3.721 1.00 0.00 O ATOM 1533 CB ASN B 123 -9.311 -5.598 5.624 1.00 0.00 C ATOM 1534 CG ASN B 123 -10.538 -5.756 6.499 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -11.532 -5.053 6.324 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -10.477 -6.683 7.445 1.00 0.00 N ATOM 0 H ASN B 123 -10.596 -3.446 5.598 1.00 0.00 H new ATOM 0 HA ASN B 123 -8.103 -4.181 6.688 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -9.592 -5.766 4.584 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -8.585 -6.368 5.887 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -11.275 -6.835 8.062 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -9.632 -7.244 7.555 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.998 -2.883 4.580 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.019 -2.461 3.582 1.00 0.00 C ATOM 1545 C ILE B 124 -6.453 -2.558 2.115 1.00 0.00 C ATOM 1546 O ILE B 124 -5.877 -1.867 1.271 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.693 -3.186 3.715 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.701 -4.108 4.893 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -3.521 -2.227 3.771 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -5.208 -5.416 4.454 1.00 0.00 C ATOM 0 H ILE B 124 -7.132 -2.182 5.309 1.00 0.00 H new ATOM 0 HA ILE B 124 -5.918 -1.402 3.819 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.564 -3.789 2.816 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.696 -4.209 5.303 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -5.330 -3.704 5.687 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.593 -2.791 3.866 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -3.493 -1.634 2.857 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -3.633 -1.565 4.630 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -5.222 -6.103 5.300 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -6.219 -5.302 4.063 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.560 -5.814 3.673 1.00 0.00 H new ATOM 1562 N SER B 125 -7.378 -3.469 1.801 1.00 0.00 N ATOM 1563 CA SER B 125 -7.770 -3.722 0.417 1.00 0.00 C ATOM 1564 C SER B 125 -7.821 -2.434 -0.412 1.00 0.00 C ATOM 1565 O SER B 125 -7.027 -2.260 -1.346 1.00 0.00 O ATOM 1566 CB SER B 125 -9.127 -4.428 0.370 1.00 0.00 C ATOM 1567 OG SER B 125 -9.101 -5.514 -0.539 1.00 0.00 O ATOM 0 H SER B 125 -7.868 -4.042 2.488 1.00 0.00 H new ATOM 0 HA SER B 125 -7.009 -4.367 -0.022 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.389 -4.788 1.365 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.900 -3.719 0.074 1.00 0.00 H new ATOM 0 HG SER B 125 -9.978 -5.951 -0.551 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.722 -1.524 -0.060 1.00 0.00 N ATOM 1574 CA GLY B 126 -8.814 -0.268 -0.786 1.00 0.00 C ATOM 1575 C GLY B 126 -7.861 0.780 -0.250 1.00 0.00 C ATOM 1576 O GLY B 126 -7.512 1.722 -0.954 1.00 0.00 O ATOM 0 H GLY B 126 -9.385 -1.630 0.708 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.600 -0.444 -1.840 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -9.835 0.109 -0.727 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.418 0.603 0.994 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.495 1.525 1.620 1.00 0.00 C ATOM 1582 C LEU B 127 -5.221 1.598 0.807 1.00 0.00 C ATOM 1583 O LEU B 127 -4.876 2.656 0.293 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.206 1.068 3.050 1.00 0.00 C ATOM 1585 CG LEU B 127 -5.153 1.852 3.831 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.863 1.059 3.899 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -4.913 3.221 3.221 1.00 0.00 C ATOM 0 H LEU B 127 -7.692 -0.181 1.586 1.00 0.00 H new ATOM 0 HA LEU B 127 -6.936 2.521 1.659 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.140 1.103 3.612 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.894 0.024 3.015 1.00 0.00 H new ATOM 0 HG LEU B 127 -5.526 2.009 4.843 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.117 1.625 4.457 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -4.046 0.108 4.399 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -3.496 0.873 2.889 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -4.158 3.751 3.802 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -4.566 3.106 2.194 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -5.842 3.791 3.228 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.540 0.464 0.657 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.326 0.437 -0.135 1.00 0.00 C ATOM 1601 C VAL B 128 -3.607 1.003 -1.532 1.00 0.00 C ATOM 1602 O VAL B 128 -3.116 2.065 -1.884 1.00 0.00 O ATOM 1603 CB VAL B 128 -2.749 -0.993 -0.225 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -1.590 -1.062 -1.208 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.307 -1.463 1.150 1.00 0.00 C ATOM 0 H VAL B 128 -4.807 -0.431 1.068 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.577 1.060 0.355 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.535 -1.653 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.207 -2.082 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -1.935 -0.765 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -0.797 -0.389 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -1.902 -2.472 1.077 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.540 -0.791 1.535 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.162 -1.464 1.826 1.00 0.00 H new ATOM 1615 N SER B 129 -4.425 0.313 -2.307 1.00 0.00 N ATOM 1616 CA SER B 129 -4.773 0.757 -3.656 1.00 0.00 C ATOM 1617 C SER B 129 -5.218 2.236 -3.739 1.00 0.00 C ATOM 1618 O SER B 129 -4.742 2.960 -4.614 1.00 0.00 O ATOM 1619 CB SER B 129 -5.869 -0.144 -4.223 1.00 0.00 C ATOM 1620 OG SER B 129 -7.127 0.147 -3.636 1.00 0.00 O ATOM 0 H SER B 129 -4.866 -0.563 -2.028 1.00 0.00 H new ATOM 0 HA SER B 129 -3.861 0.682 -4.248 1.00 0.00 H new ATOM 0 HB2 SER B 129 -5.930 -0.012 -5.303 1.00 0.00 H new ATOM 0 HB3 SER B 129 -5.614 -1.188 -4.044 1.00 0.00 H new ATOM 0 HG SER B 129 -7.810 -0.443 -4.018 1.00 0.00 H new ATOM 1626 N THR B 130 -6.111 2.704 -2.857 1.00 0.00 N ATOM 1627 CA THR B 130 -6.553 4.100 -2.919 1.00 0.00 C ATOM 1628 C THR B 130 -5.475 5.019 -2.379 1.00 0.00 C ATOM 1629 O THR B 130 -5.116 6.012 -3.018 1.00 0.00 O ATOM 1630 CB THR B 130 -7.876 4.316 -2.157 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.849 4.898 -3.005 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.756 5.212 -0.935 1.00 0.00 C ATOM 0 H THR B 130 -6.532 2.151 -2.110 1.00 0.00 H new ATOM 0 HA THR B 130 -6.734 4.342 -3.966 1.00 0.00 H new ATOM 0 HB THR B 130 -8.165 3.320 -1.822 1.00 0.00 H new ATOM 0 HG1 THR B 130 -9.683 5.027 -2.506 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.732 5.311 -0.459 1.00 0.00 H new ATOM 0 HG22 THR B 130 -7.051 4.773 -0.230 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.400 6.196 -1.239 1.00 0.00 H new ATOM 1640 N THR B 131 -4.967 4.698 -1.191 1.00 0.00 N ATOM 1641 CA THR B 131 -3.942 5.519 -0.581 1.00 0.00 C ATOM 1642 C THR B 131 -2.762 5.682 -1.524 1.00 0.00 C ATOM 1643 O THR B 131 -2.243 6.789 -1.700 1.00 0.00 O ATOM 1644 CB THR B 131 -3.486 4.965 0.772 1.00 0.00 C ATOM 1645 OG1 THR B 131 -3.168 6.029 1.646 1.00 0.00 O ATOM 1646 CG2 THR B 131 -2.269 4.065 0.697 1.00 0.00 C ATOM 0 H THR B 131 -5.248 3.885 -0.643 1.00 0.00 H new ATOM 0 HA THR B 131 -4.379 6.499 -0.392 1.00 0.00 H new ATOM 0 HB THR B 131 -4.323 4.368 1.133 1.00 0.00 H new ATOM 0 HG1 THR B 131 -3.743 5.985 2.438 1.00 0.00 H new ATOM 0 HG21 THR B 131 -2.012 3.716 1.697 1.00 0.00 H new ATOM 0 HG22 THR B 131 -2.488 3.209 0.059 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.430 4.622 0.281 1.00 0.00 H new ATOM 1654 N MET B 132 -2.355 4.575 -2.148 1.00 0.00 N ATOM 1655 CA MET B 132 -1.255 4.600 -3.090 1.00 0.00 C ATOM 1656 C MET B 132 -1.488 5.672 -4.140 1.00 0.00 C ATOM 1657 O MET B 132 -0.594 6.428 -4.433 1.00 0.00 O ATOM 1658 CB MET B 132 -1.077 3.229 -3.737 1.00 0.00 C ATOM 1659 CG MET B 132 -0.733 2.154 -2.724 1.00 0.00 C ATOM 1660 SD MET B 132 1.007 2.092 -2.336 1.00 0.00 S ATOM 1661 CE MET B 132 1.217 0.349 -2.078 1.00 0.00 C ATOM 0 H MET B 132 -2.775 3.656 -2.013 1.00 0.00 H new ATOM 0 HA MET B 132 -0.337 4.842 -2.554 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.994 2.954 -4.258 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.288 3.284 -4.487 1.00 0.00 H new ATOM 0 HG2 MET B 132 -1.298 2.331 -1.809 1.00 0.00 H new ATOM 0 HG3 MET B 132 -1.048 1.185 -3.110 1.00 0.00 H new ATOM 0 HE1 MET B 132 2.172 0.032 -2.497 1.00 0.00 H new ATOM 0 HE2 MET B 132 1.201 0.135 -1.009 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.408 -0.192 -2.569 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.699 5.744 -4.689 1.00 0.00 N ATOM 1672 CA GLN B 133 -3.030 6.756 -5.700 1.00 0.00 C ATOM 1673 C GLN B 133 -2.689 8.165 -5.216 1.00 0.00 C ATOM 1674 O GLN B 133 -2.055 8.943 -5.930 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.513 6.678 -6.049 1.00 0.00 C ATOM 1676 CG GLN B 133 -5.004 7.833 -6.915 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.844 7.377 -8.093 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -5.705 7.894 -9.201 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -6.721 6.409 -7.862 1.00 0.00 N ATOM 0 H GLN B 133 -3.468 5.117 -4.454 1.00 0.00 H new ATOM 0 HA GLN B 133 -2.432 6.549 -6.587 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.705 5.739 -6.569 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -5.093 6.656 -5.126 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -5.591 8.516 -6.301 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.145 8.394 -7.284 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -6.804 6.008 -6.928 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -7.313 6.066 -8.619 1.00 0.00 H new ATOM 1688 N ASN B 134 -3.107 8.482 -3.997 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.839 9.795 -3.416 1.00 0.00 C ATOM 1690 C ASN B 134 -1.340 10.020 -3.288 1.00 0.00 C ATOM 1691 O ASN B 134 -0.813 11.029 -3.769 1.00 0.00 O ATOM 1692 CB ASN B 134 -3.528 9.912 -2.048 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.803 10.726 -2.087 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.831 11.835 -2.610 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -5.868 10.181 -1.519 1.00 0.00 N ATOM 0 H ASN B 134 -3.632 7.851 -3.391 1.00 0.00 H new ATOM 0 HA ASN B 134 -3.242 10.565 -4.074 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.755 8.913 -1.677 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -2.837 10.367 -1.339 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -6.754 10.687 -1.506 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -5.802 9.256 -1.095 1.00 0.00 H new ATOM 1702 N GLU B 135 -0.652 9.066 -2.676 1.00 0.00 N ATOM 1703 CA GLU B 135 0.791 9.167 -2.529 1.00 0.00 C ATOM 1704 C GLU B 135 1.502 8.820 -3.842 1.00 0.00 C ATOM 1705 O GLU B 135 2.698 9.041 -3.977 1.00 0.00 O ATOM 1706 CB GLU B 135 1.283 8.286 -1.377 1.00 0.00 C ATOM 1707 CG GLU B 135 1.391 9.029 -0.041 1.00 0.00 C ATOM 1708 CD GLU B 135 1.523 10.537 -0.197 1.00 0.00 C ATOM 1709 OE1 GLU B 135 2.509 10.984 -0.823 1.00 0.00 O ATOM 1710 OE2 GLU B 135 0.645 11.270 0.308 1.00 0.00 O ATOM 0 H GLU B 135 -1.065 8.223 -2.278 1.00 0.00 H new ATOM 0 HA GLU B 135 1.037 10.201 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU B 135 0.603 7.442 -1.260 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.259 7.876 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU B 135 0.509 8.809 0.561 1.00 0.00 H new ATOM 0 HG3 GLU B 135 2.254 8.651 0.508 1.00 0.00 H new ATOM 1717 N ALA B 136 0.749 8.310 -4.817 1.00 0.00 N ATOM 1718 CA ALA B 136 1.278 7.976 -6.135 1.00 0.00 C ATOM 1719 C ALA B 136 1.199 9.200 -7.029 1.00 0.00 C ATOM 1720 O ALA B 136 2.059 9.423 -7.877 1.00 0.00 O ATOM 1721 CB ALA B 136 0.497 6.826 -6.753 1.00 0.00 C ATOM 0 H ALA B 136 -0.247 8.117 -4.712 1.00 0.00 H new ATOM 0 HA ALA B 136 2.317 7.663 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA B 136 0.908 6.593 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA B 136 0.572 5.948 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -0.550 7.111 -6.856 1.00 0.00 H new ATOM 1727 N ARG B 137 0.153 10.001 -6.818 1.00 0.00 N ATOM 1728 CA ARG B 137 -0.034 11.222 -7.577 1.00 0.00 C ATOM 1729 C ARG B 137 0.923 12.271 -7.078 1.00 0.00 C ATOM 1730 O ARG B 137 1.685 12.870 -7.840 1.00 0.00 O ATOM 1731 CB ARG B 137 -1.432 11.778 -7.383 1.00 0.00 C ATOM 1732 CG ARG B 137 -2.329 11.656 -8.604 1.00 0.00 C ATOM 1733 CD ARG B 137 -1.912 12.627 -9.696 1.00 0.00 C ATOM 1734 NE ARG B 137 -3.063 13.143 -10.443 1.00 0.00 N ATOM 1735 CZ ARG B 137 -2.966 13.890 -11.538 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -1.780 14.215 -12.019 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -4.055 14.309 -12.152 1.00 0.00 N ATOM 0 H ARG B 137 -0.574 9.819 -6.126 1.00 0.00 H new ATOM 0 HA ARG B 137 0.134 10.985 -8.628 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.903 11.261 -6.547 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -1.357 12.829 -7.105 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -2.289 10.636 -8.987 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -3.363 11.849 -8.319 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -1.366 13.459 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -1.229 12.128 -10.383 1.00 0.00 H new ATOM 0 HE ARG B 137 -3.996 12.915 -10.101 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -0.934 13.893 -11.550 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -1.710 14.788 -12.860 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -4.974 14.060 -11.787 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -3.978 14.882 -12.992 1.00 0.00 H new ATOM 1751 N ARG B 138 0.831 12.514 -5.777 1.00 0.00 N ATOM 1752 CA ARG B 138 1.652 13.519 -5.149 1.00 0.00 C ATOM 1753 C ARG B 138 3.051 13.007 -4.749 1.00 0.00 C ATOM 1754 O ARG B 138 4.029 13.748 -4.843 1.00 0.00 O ATOM 1755 CB ARG B 138 0.928 14.115 -3.941 1.00 0.00 C ATOM 1756 CG ARG B 138 -0.033 15.238 -4.311 1.00 0.00 C ATOM 1757 CD ARG B 138 0.688 16.398 -4.989 1.00 0.00 C ATOM 1758 NE ARG B 138 0.839 16.184 -6.436 1.00 0.00 N ATOM 1759 CZ ARG B 138 1.777 16.755 -7.188 1.00 0.00 C ATOM 1760 NH1 ARG B 138 2.615 17.629 -6.667 1.00 0.00 N ATOM 1761 NH2 ARG B 138 1.860 16.458 -8.471 1.00 0.00 N ATOM 0 H ARG B 138 0.196 12.026 -5.145 1.00 0.00 H new ATOM 0 HA ARG B 138 1.817 14.296 -5.895 1.00 0.00 H new ATOM 0 HB2 ARG B 138 0.375 13.326 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG B 138 1.666 14.495 -3.234 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -0.805 14.851 -4.976 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -0.536 15.597 -3.413 1.00 0.00 H new ATOM 0 HD2 ARG B 138 0.134 17.320 -4.815 1.00 0.00 H new ATOM 0 HD3 ARG B 138 1.672 16.527 -4.537 1.00 0.00 H new ATOM 0 HE ARG B 138 0.180 15.555 -6.895 1.00 0.00 H new ATOM 0 HH11 ARG B 138 2.548 17.873 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG B 138 3.330 18.061 -7.252 1.00 0.00 H new ATOM 0 HH21 ARG B 138 1.206 15.793 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG B 138 2.578 16.894 -9.050 1.00 0.00 H new