USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 Single : A 12 SER OG : rot 91:sc= 0.249 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -8:sc= 0.912 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -58:sc= 0.448 USER MOD Single : A 25 SER OG : rot -140:sc= 0 USER MOD Single : A 35 SER OG : rot 12:sc= 0.709! USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= 0.275 (180deg=0.129) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.31) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00594) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.648 USER MOD Single : A 62 SER OG : rot -56:sc= 0.407 USER MOD Single : A 64 ASN : amide:sc= -1.01 K(o=-1,f=-3.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0.0862 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.05) USER MOD Single : A 96 HIS : no HD1:sc= -0.0593 X(o=-0.059,f=-0.21) USER MOD Single : A 97 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.032) USER MOD Single : A 98 SER OG : rot 160:sc=-0.00382 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.742 6.548 5.835 1.00 0.00 N ATOM 67 CA PRO A 8 13.806 6.655 4.375 1.00 0.00 C ATOM 68 C PRO A 8 12.754 7.608 3.817 1.00 0.00 C ATOM 69 O PRO A 8 11.815 8.007 4.507 1.00 0.00 O ATOM 70 CB PRO A 8 13.536 5.225 3.902 1.00 0.00 C ATOM 71 CG PRO A 8 12.752 4.603 5.004 1.00 0.00 C ATOM 72 CD PRO A 8 13.254 5.230 6.275 1.00 0.00 C ATOM 0 HA PRO A 8 14.761 7.057 4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.978 5.217 2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.466 4.685 3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.685 4.784 4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.892 3.522 5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.462 5.322 7.018 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.049 4.638 6.729 1.00 0.00 H new ATOM 80 N PRO A 9 12.911 7.982 2.539 1.00 0.00 N ATOM 81 CA PRO A 9 11.983 8.891 1.860 1.00 0.00 C ATOM 82 C PRO A 9 10.623 8.250 1.608 1.00 0.00 C ATOM 83 O PRO A 9 10.515 7.030 1.484 1.00 0.00 O ATOM 84 CB PRO A 9 12.687 9.192 0.534 1.00 0.00 C ATOM 85 CG PRO A 9 13.567 8.014 0.297 1.00 0.00 C ATOM 86 CD PRO A 9 14.006 7.545 1.657 1.00 0.00 C ATOM 0 HA PRO A 9 11.772 9.778 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.969 9.319 -0.276 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.266 10.113 0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.031 7.227 -0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.425 8.285 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.138 6.463 1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.958 7.990 1.948 1.00 0.00 H new ATOM 94 N ALA A 10 9.587 9.080 1.532 1.00 0.00 N ATOM 95 CA ALA A 10 8.235 8.593 1.292 1.00 0.00 C ATOM 96 C ALA A 10 8.159 7.800 -0.009 1.00 0.00 C ATOM 97 O ALA A 10 8.495 8.308 -1.078 1.00 0.00 O ATOM 98 CB ALA A 10 7.253 9.755 1.260 1.00 0.00 C ATOM 0 H ALA A 10 9.659 10.092 1.633 1.00 0.00 H new ATOM 0 HA ALA A 10 7.966 7.926 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.247 9.376 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.278 10.279 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.530 10.443 0.462 1.00 0.00 H new ATOM 104 N VAL A 11 7.717 6.550 0.091 1.00 0.00 N ATOM 105 CA VAL A 11 7.597 5.686 -1.078 1.00 0.00 C ATOM 106 C VAL A 11 7.075 6.461 -2.283 1.00 0.00 C ATOM 107 O VAL A 11 6.253 7.366 -2.143 1.00 0.00 O ATOM 108 CB VAL A 11 6.660 4.495 -0.802 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.472 3.661 -2.060 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.203 3.644 0.336 1.00 0.00 C ATOM 0 H VAL A 11 7.436 6.113 0.969 1.00 0.00 H new ATOM 0 HA VAL A 11 8.596 5.309 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 11 5.686 4.882 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.807 2.824 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.036 4.279 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.438 3.281 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.529 2.807 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.189 3.264 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.281 4.250 1.239 1.00 0.00 H new ATOM 120 N SER A 12 7.559 6.099 -3.467 1.00 0.00 N ATOM 121 CA SER A 12 7.144 6.762 -4.697 1.00 0.00 C ATOM 122 C SER A 12 6.858 5.741 -5.795 1.00 0.00 C ATOM 123 O SER A 12 7.020 4.537 -5.596 1.00 0.00 O ATOM 124 CB SER A 12 8.224 7.740 -5.164 1.00 0.00 C ATOM 125 OG SER A 12 9.430 7.061 -5.465 1.00 0.00 O ATOM 0 H SER A 12 8.239 5.350 -3.600 1.00 0.00 H new ATOM 0 HA SER A 12 6.228 7.315 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.876 8.278 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.406 8.484 -4.388 1.00 0.00 H new ATOM 0 HG SER A 12 9.432 6.801 -6.410 1.00 0.00 H new ATOM 131 N ASP A 13 6.430 6.232 -6.953 1.00 0.00 N ATOM 132 CA ASP A 13 6.122 5.364 -8.084 1.00 0.00 C ATOM 133 C ASP A 13 5.307 4.155 -7.634 1.00 0.00 C ATOM 134 O ASP A 13 5.658 3.013 -7.930 1.00 0.00 O ATOM 135 CB ASP A 13 7.411 4.901 -8.765 1.00 0.00 C ATOM 136 CG ASP A 13 8.300 6.060 -9.169 1.00 0.00 C ATOM 137 OD1 ASP A 13 7.986 6.725 -10.178 1.00 0.00 O ATOM 138 OD2 ASP A 13 9.310 6.302 -8.476 1.00 0.00 O ATOM 0 H ASP A 13 6.288 7.226 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 13 5.528 5.935 -8.798 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.960 4.244 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.161 4.313 -9.648 1.00 0.00 H new ATOM 143 N ILE A 14 4.218 4.415 -6.918 1.00 0.00 N ATOM 144 CA ILE A 14 3.354 3.349 -6.428 1.00 0.00 C ATOM 145 C ILE A 14 2.119 3.195 -7.309 1.00 0.00 C ATOM 146 O ILE A 14 1.086 3.819 -7.063 1.00 0.00 O ATOM 147 CB ILE A 14 2.907 3.608 -4.978 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.110 3.982 -4.109 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.201 2.384 -4.414 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.743 4.790 -2.884 1.00 0.00 C ATOM 0 H ILE A 14 3.913 5.355 -6.665 1.00 0.00 H new ATOM 0 HA ILE A 14 3.938 2.429 -6.460 1.00 0.00 H new ATOM 0 HB ILE A 14 2.206 4.442 -4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.618 3.070 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.819 4.551 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.891 2.583 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.324 2.158 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.881 1.533 -4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.644 5.019 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.262 5.719 -3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.058 4.215 -2.261 1.00 0.00 H new ATOM 162 N ARG A 15 2.231 2.358 -8.336 1.00 0.00 N ATOM 163 CA ARG A 15 1.123 2.121 -9.253 1.00 0.00 C ATOM 164 C ARG A 15 0.509 0.743 -9.019 1.00 0.00 C ATOM 165 O ARG A 15 1.119 -0.121 -8.389 1.00 0.00 O ATOM 166 CB ARG A 15 1.599 2.239 -10.702 1.00 0.00 C ATOM 167 CG ARG A 15 2.087 3.631 -11.071 1.00 0.00 C ATOM 168 CD ARG A 15 2.674 3.662 -12.473 1.00 0.00 C ATOM 169 NE ARG A 15 1.636 3.664 -13.501 1.00 0.00 N ATOM 170 CZ ARG A 15 1.873 3.423 -14.785 1.00 0.00 C ATOM 171 NH1 ARG A 15 3.105 3.160 -15.198 1.00 0.00 N ATOM 172 NH2 ARG A 15 0.876 3.443 -15.661 1.00 0.00 N ATOM 0 H ARG A 15 3.078 1.833 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 15 0.360 2.877 -9.065 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.405 1.524 -10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.782 1.961 -11.368 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.259 4.337 -11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.840 3.956 -10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.297 4.549 -12.585 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.322 2.797 -12.614 1.00 0.00 H new ATOM 0 HE ARG A 15 0.677 3.861 -13.217 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.874 3.142 -14.529 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.283 2.975 -16.185 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.074 3.644 -15.348 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.060 3.258 -16.647 1.00 0.00 H new ATOM 186 N VAL A 16 -0.702 0.547 -9.530 1.00 0.00 N ATOM 187 CA VAL A 16 -1.399 -0.725 -9.378 1.00 0.00 C ATOM 188 C VAL A 16 -1.355 -1.534 -10.670 1.00 0.00 C ATOM 189 O VAL A 16 -2.209 -1.378 -11.543 1.00 0.00 O ATOM 190 CB VAL A 16 -2.868 -0.514 -8.967 1.00 0.00 C ATOM 191 CG1 VAL A 16 -3.573 -1.852 -8.800 1.00 0.00 C ATOM 192 CG2 VAL A 16 -2.951 0.305 -7.688 1.00 0.00 C ATOM 0 H VAL A 16 -1.221 1.253 -10.053 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.885 -1.276 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.373 0.039 -9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.610 -1.683 -8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.545 -2.398 -9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.070 -2.434 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.996 0.444 -7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.431 -0.219 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.485 1.277 -7.848 1.00 0.00 H new ATOM 202 N THR A 17 -0.353 -2.401 -10.785 1.00 0.00 N ATOM 203 CA THR A 17 -0.196 -3.235 -11.970 1.00 0.00 C ATOM 204 C THR A 17 -0.698 -4.651 -11.715 1.00 0.00 C ATOM 205 O THR A 17 -0.713 -5.119 -10.576 1.00 0.00 O ATOM 206 CB THR A 17 1.275 -3.296 -12.423 1.00 0.00 C ATOM 207 OG1 THR A 17 1.368 -3.940 -13.698 1.00 0.00 O ATOM 208 CG2 THR A 17 2.123 -4.047 -11.407 1.00 0.00 C ATOM 0 H THR A 17 0.362 -2.544 -10.071 1.00 0.00 H new ATOM 0 HA THR A 17 -0.792 -2.778 -12.760 1.00 0.00 H new ATOM 0 HB THR A 17 1.650 -2.276 -12.503 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.306 -3.973 -13.980 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.158 -4.077 -11.748 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.073 -3.538 -10.444 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.746 -5.064 -11.300 1.00 0.00 H new ATOM 216 N ARG A 18 -1.106 -5.330 -12.782 1.00 0.00 N ATOM 217 CA ARG A 18 -1.609 -6.694 -12.673 1.00 0.00 C ATOM 218 C ARG A 18 -2.955 -6.722 -11.955 1.00 0.00 C ATOM 219 O ARG A 18 -3.150 -7.486 -11.010 1.00 0.00 O ATOM 220 CB ARG A 18 -0.603 -7.573 -11.928 1.00 0.00 C ATOM 221 CG ARG A 18 -0.769 -9.058 -12.204 1.00 0.00 C ATOM 222 CD ARG A 18 -0.212 -9.902 -11.069 1.00 0.00 C ATOM 223 NE ARG A 18 1.216 -10.161 -11.229 1.00 0.00 N ATOM 224 CZ ARG A 18 1.726 -10.882 -12.222 1.00 0.00 C ATOM 225 NH1 ARG A 18 0.927 -11.411 -13.139 1.00 0.00 N ATOM 226 NH2 ARG A 18 3.036 -11.073 -12.300 1.00 0.00 N ATOM 0 H ARG A 18 -1.098 -4.958 -13.732 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.747 -7.085 -13.681 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.407 -7.271 -12.207 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.704 -7.398 -10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.825 -9.287 -12.344 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.261 -9.315 -13.133 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.384 -9.393 -10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.749 -10.849 -11.024 1.00 0.00 H new ATOM 0 HE ARG A 18 1.857 -9.767 -10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.081 -11.265 -13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.320 -11.964 -13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.653 -10.666 -11.597 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.426 -11.627 -13.063 1.00 0.00 H new ATOM 240 N SER A 19 -3.881 -5.884 -12.411 1.00 0.00 N ATOM 241 CA SER A 19 -5.207 -5.809 -11.810 1.00 0.00 C ATOM 242 C SER A 19 -5.826 -7.198 -11.686 1.00 0.00 C ATOM 243 O SER A 19 -5.486 -8.111 -12.438 1.00 0.00 O ATOM 244 CB SER A 19 -6.118 -4.905 -12.643 1.00 0.00 C ATOM 245 OG SER A 19 -6.275 -5.412 -13.957 1.00 0.00 O ATOM 0 H SER A 19 -3.737 -5.248 -13.195 1.00 0.00 H new ATOM 0 HA SER A 19 -5.103 -5.386 -10.811 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.093 -4.823 -12.162 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.698 -3.900 -12.685 1.00 0.00 H new ATOM 0 HG SER A 19 -6.863 -4.818 -14.469 1.00 0.00 H new ATOM 251 N SER A 20 -6.738 -7.349 -10.730 1.00 0.00 N ATOM 252 CA SER A 20 -7.403 -8.627 -10.504 1.00 0.00 C ATOM 253 C SER A 20 -8.656 -8.444 -9.653 1.00 0.00 C ATOM 254 O SER A 20 -8.756 -7.526 -8.838 1.00 0.00 O ATOM 255 CB SER A 20 -6.448 -9.608 -9.821 1.00 0.00 C ATOM 256 OG SER A 20 -5.360 -9.934 -10.667 1.00 0.00 O ATOM 0 H SER A 20 -7.033 -6.603 -10.100 1.00 0.00 H new ATOM 0 HA SER A 20 -7.698 -9.032 -11.472 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.074 -9.171 -8.895 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.987 -10.516 -9.550 1.00 0.00 H new ATOM 0 HG SER A 20 -5.520 -9.567 -11.561 1.00 0.00 H new ATOM 262 N PRO A 21 -9.637 -9.337 -9.847 1.00 0.00 N ATOM 263 CA PRO A 21 -10.903 -9.297 -9.108 1.00 0.00 C ATOM 264 C PRO A 21 -10.727 -9.662 -7.638 1.00 0.00 C ATOM 265 O PRO A 21 -10.133 -10.689 -7.310 1.00 0.00 O ATOM 266 CB PRO A 21 -11.763 -10.344 -9.819 1.00 0.00 C ATOM 267 CG PRO A 21 -10.785 -11.286 -10.430 1.00 0.00 C ATOM 268 CD PRO A 21 -9.587 -10.457 -10.802 1.00 0.00 C ATOM 0 HA PRO A 21 -11.340 -8.299 -9.103 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.422 -10.857 -9.118 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.398 -9.886 -10.577 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.511 -12.074 -9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.209 -11.774 -11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.661 -11.024 -10.708 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.644 -10.109 -11.833 1.00 0.00 H new ATOM 276 N SER A 22 -11.247 -8.814 -6.756 1.00 0.00 N ATOM 277 CA SER A 22 -11.144 -9.046 -5.320 1.00 0.00 C ATOM 278 C SER A 22 -9.684 -9.161 -4.891 1.00 0.00 C ATOM 279 O SER A 22 -9.363 -9.848 -3.921 1.00 0.00 O ATOM 280 CB SER A 22 -11.903 -10.317 -4.932 1.00 0.00 C ATOM 281 OG SER A 22 -13.250 -10.260 -5.369 1.00 0.00 O ATOM 0 H SER A 22 -11.744 -7.960 -7.011 1.00 0.00 H new ATOM 0 HA SER A 22 -11.589 -8.194 -4.806 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.412 -11.186 -5.370 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.874 -10.446 -3.850 1.00 0.00 H new ATOM 0 HG SER A 22 -13.713 -11.084 -5.111 1.00 0.00 H new ATOM 287 N SER A 23 -8.805 -8.484 -5.622 1.00 0.00 N ATOM 288 CA SER A 23 -7.378 -8.512 -5.320 1.00 0.00 C ATOM 289 C SER A 23 -6.646 -7.391 -6.052 1.00 0.00 C ATOM 290 O SER A 23 -6.958 -7.076 -7.201 1.00 0.00 O ATOM 291 CB SER A 23 -6.780 -9.866 -5.709 1.00 0.00 C ATOM 292 OG SER A 23 -7.440 -10.409 -6.840 1.00 0.00 O ATOM 0 H SER A 23 -9.055 -7.910 -6.427 1.00 0.00 H new ATOM 0 HA SER A 23 -7.255 -8.363 -4.247 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.718 -9.750 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.861 -10.557 -4.870 1.00 0.00 H new ATOM 0 HG SER A 23 -8.396 -10.502 -6.647 1.00 0.00 H new ATOM 298 N LEU A 24 -5.671 -6.792 -5.378 1.00 0.00 N ATOM 299 CA LEU A 24 -4.893 -5.705 -5.962 1.00 0.00 C ATOM 300 C LEU A 24 -3.407 -5.878 -5.666 1.00 0.00 C ATOM 301 O LEU A 24 -3.000 -5.955 -4.506 1.00 0.00 O ATOM 302 CB LEU A 24 -5.378 -4.358 -5.425 1.00 0.00 C ATOM 303 CG LEU A 24 -6.857 -4.041 -5.644 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.289 -2.873 -4.771 1.00 0.00 C ATOM 305 CD2 LEU A 24 -7.126 -3.740 -7.112 1.00 0.00 C ATOM 0 H LEU A 24 -5.400 -7.040 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.035 -5.731 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.174 -4.321 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.786 -3.570 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.442 -4.916 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.345 -2.663 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.134 -3.126 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.698 -1.992 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.184 -3.517 -7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.530 -2.882 -7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.857 -4.606 -7.716 1.00 0.00 H new ATOM 317 N SER A 25 -2.601 -5.938 -6.721 1.00 0.00 N ATOM 318 CA SER A 25 -1.159 -6.103 -6.574 1.00 0.00 C ATOM 319 C SER A 25 -0.452 -4.752 -6.598 1.00 0.00 C ATOM 320 O SER A 25 -0.636 -3.958 -7.521 1.00 0.00 O ATOM 321 CB SER A 25 -0.611 -6.999 -7.687 1.00 0.00 C ATOM 322 OG SER A 25 -1.343 -8.209 -7.775 1.00 0.00 O ATOM 0 H SER A 25 -2.922 -5.875 -7.687 1.00 0.00 H new ATOM 0 HA SER A 25 -0.969 -6.575 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.659 -6.471 -8.640 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.440 -7.219 -7.497 1.00 0.00 H new ATOM 0 HG SER A 25 -0.727 -8.952 -7.945 1.00 0.00 H new ATOM 328 N LEU A 26 0.358 -4.497 -5.576 1.00 0.00 N ATOM 329 CA LEU A 26 1.095 -3.242 -5.478 1.00 0.00 C ATOM 330 C LEU A 26 2.591 -3.473 -5.661 1.00 0.00 C ATOM 331 O LEU A 26 3.097 -4.565 -5.405 1.00 0.00 O ATOM 332 CB LEU A 26 0.831 -2.577 -4.126 1.00 0.00 C ATOM 333 CG LEU A 26 -0.626 -2.548 -3.665 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.706 -2.531 -2.146 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.348 -1.344 -4.252 1.00 0.00 C ATOM 0 H LEU A 26 0.521 -5.143 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 26 0.749 -2.583 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.420 -3.094 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.197 -1.551 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.118 -3.452 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.751 -2.510 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.227 -3.425 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.197 -1.646 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.384 -1.340 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.855 -0.429 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.323 -1.400 -5.340 1.00 0.00 H new ATOM 347 N ALA A 27 3.295 -2.436 -6.104 1.00 0.00 N ATOM 348 CA ALA A 27 4.734 -2.525 -6.317 1.00 0.00 C ATOM 349 C ALA A 27 5.333 -1.151 -6.598 1.00 0.00 C ATOM 350 O ALA A 27 4.909 -0.456 -7.521 1.00 0.00 O ATOM 351 CB ALA A 27 5.041 -3.481 -7.460 1.00 0.00 C ATOM 0 H ALA A 27 2.892 -1.525 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 27 5.188 -2.911 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.120 -3.537 -7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.655 -4.472 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.568 -3.120 -8.373 1.00 0.00 H new ATOM 357 N TRP A 28 6.320 -0.766 -5.797 1.00 0.00 N ATOM 358 CA TRP A 28 6.977 0.526 -5.961 1.00 0.00 C ATOM 359 C TRP A 28 8.435 0.348 -6.369 1.00 0.00 C ATOM 360 O TRP A 28 8.970 -0.759 -6.326 1.00 0.00 O ATOM 361 CB TRP A 28 6.892 1.332 -4.663 1.00 0.00 C ATOM 362 CG TRP A 28 6.980 0.484 -3.431 1.00 0.00 C ATOM 363 CD1 TRP A 28 7.958 0.520 -2.478 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.054 -0.528 -3.019 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.696 -0.408 -1.499 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.533 -1.063 -1.807 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.866 -1.032 -3.555 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.865 -2.078 -1.127 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.204 -2.039 -2.878 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.704 -2.553 -1.674 1.00 0.00 C ATOM 0 H TRP A 28 6.683 -1.329 -5.028 1.00 0.00 H new ATOM 0 HA TRP A 28 6.462 1.070 -6.753 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.696 2.068 -4.647 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.953 1.886 -4.648 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.812 1.181 -2.492 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.274 -0.581 -0.676 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.472 -0.642 -4.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.250 -2.477 -0.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.286 -2.437 -3.284 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.163 -3.339 -1.168 1.00 0.00 H new ATOM 381 N ALA A 29 9.072 1.445 -6.765 1.00 0.00 N ATOM 382 CA ALA A 29 10.470 1.409 -7.179 1.00 0.00 C ATOM 383 C ALA A 29 11.399 1.676 -5.999 1.00 0.00 C ATOM 384 O ALA A 29 11.235 2.660 -5.277 1.00 0.00 O ATOM 385 CB ALA A 29 10.718 2.420 -8.288 1.00 0.00 C ATOM 0 H ALA A 29 8.643 2.369 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 29 10.685 0.410 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.765 2.382 -8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.087 2.183 -9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.479 3.421 -7.928 1.00 0.00 H new ATOM 391 N VAL A 30 12.374 0.793 -5.808 1.00 0.00 N ATOM 392 CA VAL A 30 13.330 0.934 -4.716 1.00 0.00 C ATOM 393 C VAL A 30 13.913 2.342 -4.675 1.00 0.00 C ATOM 394 O VAL A 30 14.743 2.722 -5.501 1.00 0.00 O ATOM 395 CB VAL A 30 14.480 -0.083 -4.842 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.428 0.035 -3.659 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.930 -1.496 -4.957 1.00 0.00 C ATOM 0 H VAL A 30 12.523 -0.028 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 30 12.785 0.742 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 30 15.041 0.139 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.234 -0.691 -3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.847 1.041 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 30 14.883 -0.160 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.756 -2.202 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.344 -1.732 -4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.295 -1.568 -5.840 1.00 0.00 H new ATOM 407 N PRO A 31 13.471 3.137 -3.689 1.00 0.00 N ATOM 408 CA PRO A 31 13.936 4.516 -3.515 1.00 0.00 C ATOM 409 C PRO A 31 15.387 4.583 -3.051 1.00 0.00 C ATOM 410 O PRO A 31 16.031 3.555 -2.844 1.00 0.00 O ATOM 411 CB PRO A 31 13.003 5.072 -2.436 1.00 0.00 C ATOM 412 CG PRO A 31 12.552 3.875 -1.672 1.00 0.00 C ATOM 413 CD PRO A 31 12.482 2.750 -2.668 1.00 0.00 C ATOM 0 HA PRO A 31 13.910 5.076 -4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.522 5.781 -1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.159 5.601 -2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.249 3.641 -0.867 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.580 4.050 -1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.730 1.792 -2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.483 2.651 -3.093 1.00 0.00 H new ATOM 421 N ARG A 32 15.896 5.800 -2.888 1.00 0.00 N ATOM 422 CA ARG A 32 17.271 6.001 -2.449 1.00 0.00 C ATOM 423 C ARG A 32 17.320 6.854 -1.185 1.00 0.00 C ATOM 424 O ARG A 32 16.697 7.914 -1.115 1.00 0.00 O ATOM 425 CB ARG A 32 18.091 6.666 -3.557 1.00 0.00 C ATOM 426 CG ARG A 32 17.478 7.956 -4.077 1.00 0.00 C ATOM 427 CD ARG A 32 18.234 8.483 -5.287 1.00 0.00 C ATOM 428 NE ARG A 32 19.512 9.084 -4.915 1.00 0.00 N ATOM 429 CZ ARG A 32 19.622 10.261 -4.308 1.00 0.00 C ATOM 430 NH1 ARG A 32 18.535 10.958 -4.006 1.00 0.00 N ATOM 431 NH2 ARG A 32 20.820 10.741 -4.001 1.00 0.00 N ATOM 0 H ARG A 32 15.376 6.662 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 32 17.700 5.024 -2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.092 6.875 -3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.202 5.966 -4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.436 7.783 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.484 8.707 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 32 18.408 7.668 -5.989 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.622 9.223 -5.803 1.00 0.00 H new ATOM 0 HE ARG A 32 20.367 8.572 -5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.612 10.591 -4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 32 18.621 11.861 -3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 32 21.658 10.207 -4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.903 11.645 -3.535 1.00 0.00 H new ATOM 445 N ALA A 33 18.062 6.385 -0.188 1.00 0.00 N ATOM 446 CA ALA A 33 18.193 7.104 1.073 1.00 0.00 C ATOM 447 C ALA A 33 19.650 7.450 1.359 1.00 0.00 C ATOM 448 O ALA A 33 20.567 6.689 1.047 1.00 0.00 O ATOM 449 CB ALA A 33 17.609 6.283 2.212 1.00 0.00 C ATOM 0 H ALA A 33 18.582 5.509 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 33 17.636 8.037 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.714 6.832 3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.553 6.093 2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.141 5.334 2.287 1.00 0.00 H new ATOM 455 N PRO A 34 19.872 8.625 1.967 1.00 0.00 N ATOM 456 CA PRO A 34 21.217 9.098 2.308 1.00 0.00 C ATOM 457 C PRO A 34 21.849 8.285 3.433 1.00 0.00 C ATOM 458 O PRO A 34 23.057 8.355 3.659 1.00 0.00 O ATOM 459 CB PRO A 34 20.981 10.542 2.758 1.00 0.00 C ATOM 460 CG PRO A 34 19.568 10.566 3.230 1.00 0.00 C ATOM 461 CD PRO A 34 18.827 9.582 2.367 1.00 0.00 C ATOM 0 HA PRO A 34 21.907 9.006 1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.669 10.826 3.554 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.136 11.243 1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.503 10.289 4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.142 11.565 3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 34 18.022 9.092 2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 34 18.374 10.067 1.502 1.00 0.00 H new ATOM 469 N SER A 35 21.024 7.515 4.136 1.00 0.00 N ATOM 470 CA SER A 35 21.502 6.692 5.240 1.00 0.00 C ATOM 471 C SER A 35 21.253 5.212 4.963 1.00 0.00 C ATOM 472 O SER A 35 20.124 4.801 4.699 1.00 0.00 O ATOM 473 CB SER A 35 20.815 7.101 6.544 1.00 0.00 C ATOM 474 OG SER A 35 19.509 6.556 6.625 1.00 0.00 O ATOM 0 H SER A 35 20.022 7.444 3.960 1.00 0.00 H new ATOM 0 HA SER A 35 22.576 6.849 5.339 1.00 0.00 H new ATOM 0 HB2 SER A 35 21.408 6.761 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 35 20.763 8.188 6.606 1.00 0.00 H new ATOM 0 HG SER A 35 19.393 5.880 5.925 1.00 0.00 H new ATOM 480 N GLY A 36 22.316 4.417 5.024 1.00 0.00 N ATOM 481 CA GLY A 36 22.193 2.992 4.777 1.00 0.00 C ATOM 482 C GLY A 36 21.234 2.681 3.645 1.00 0.00 C ATOM 483 O GLY A 36 21.325 3.269 2.567 1.00 0.00 O ATOM 0 H GLY A 36 23.261 4.734 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.175 2.581 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.851 2.497 5.686 1.00 0.00 H new ATOM 487 N ALA A 37 20.315 1.754 3.888 1.00 0.00 N ATOM 488 CA ALA A 37 19.335 1.366 2.880 1.00 0.00 C ATOM 489 C ALA A 37 18.090 0.768 3.526 1.00 0.00 C ATOM 490 O ALA A 37 18.153 0.212 4.623 1.00 0.00 O ATOM 491 CB ALA A 37 19.950 0.378 1.900 1.00 0.00 C ATOM 0 H ALA A 37 20.228 1.257 4.774 1.00 0.00 H new ATOM 0 HA ALA A 37 19.035 2.262 2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.208 0.097 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.805 0.840 1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.279 -0.511 2.438 1.00 0.00 H new ATOM 497 N VAL A 38 16.958 0.887 2.840 1.00 0.00 N ATOM 498 CA VAL A 38 15.698 0.357 3.347 1.00 0.00 C ATOM 499 C VAL A 38 15.794 -1.142 3.602 1.00 0.00 C ATOM 500 O VAL A 38 16.492 -1.862 2.886 1.00 0.00 O ATOM 501 CB VAL A 38 14.541 0.626 2.366 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.233 0.080 2.920 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.425 2.115 2.074 1.00 0.00 C ATOM 0 H VAL A 38 16.888 1.346 1.932 1.00 0.00 H new ATOM 0 HA VAL A 38 15.495 0.870 4.287 1.00 0.00 H new ATOM 0 HB VAL A 38 14.755 0.111 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.427 0.279 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.324 -0.995 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.010 0.564 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.603 2.287 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.235 2.654 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.355 2.472 1.631 1.00 0.00 H new ATOM 513 N LEU A 39 15.090 -1.609 4.628 1.00 0.00 N ATOM 514 CA LEU A 39 15.096 -3.025 4.978 1.00 0.00 C ATOM 515 C LEU A 39 13.726 -3.651 4.738 1.00 0.00 C ATOM 516 O LEU A 39 13.595 -4.608 3.975 1.00 0.00 O ATOM 517 CB LEU A 39 15.502 -3.207 6.442 1.00 0.00 C ATOM 518 CG LEU A 39 16.750 -2.447 6.891 1.00 0.00 C ATOM 519 CD1 LEU A 39 16.849 -2.432 8.409 1.00 0.00 C ATOM 520 CD2 LEU A 39 17.999 -3.065 6.280 1.00 0.00 C ATOM 0 H LEU A 39 14.508 -1.028 5.232 1.00 0.00 H new ATOM 0 HA LEU A 39 15.822 -3.528 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.667 -2.898 7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 39 15.663 -4.270 6.624 1.00 0.00 H new ATOM 0 HG LEU A 39 16.670 -1.417 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 39 17.744 -1.887 8.710 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.969 -1.943 8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 39 16.906 -3.455 8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 39 18.878 -2.511 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 18.084 -4.104 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 39 17.931 -3.023 5.193 1.00 0.00 H new ATOM 532 N ASP A 40 12.707 -3.103 5.391 1.00 0.00 N ATOM 533 CA ASP A 40 11.346 -3.605 5.246 1.00 0.00 C ATOM 534 C ASP A 40 10.394 -2.485 4.839 1.00 0.00 C ATOM 535 O ASP A 40 10.803 -1.334 4.685 1.00 0.00 O ATOM 536 CB ASP A 40 10.873 -4.244 6.553 1.00 0.00 C ATOM 537 CG ASP A 40 9.753 -5.242 6.337 1.00 0.00 C ATOM 538 OD1 ASP A 40 8.580 -4.817 6.294 1.00 0.00 O ATOM 539 OD2 ASP A 40 10.050 -6.449 6.212 1.00 0.00 O ATOM 0 H ASP A 40 12.798 -2.310 6.026 1.00 0.00 H new ATOM 0 HA ASP A 40 11.346 -4.361 4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.713 -4.744 7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.534 -3.463 7.234 1.00 0.00 H new ATOM 544 N TYR A 41 9.123 -2.830 4.665 1.00 0.00 N ATOM 545 CA TYR A 41 8.113 -1.854 4.272 1.00 0.00 C ATOM 546 C TYR A 41 6.784 -2.137 4.965 1.00 0.00 C ATOM 547 O TYR A 41 6.620 -3.165 5.620 1.00 0.00 O ATOM 548 CB TYR A 41 7.923 -1.868 2.754 1.00 0.00 C ATOM 549 CG TYR A 41 9.199 -1.623 1.981 1.00 0.00 C ATOM 550 CD1 TYR A 41 10.133 -2.637 1.804 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.472 -0.377 1.430 1.00 0.00 C ATOM 552 CE1 TYR A 41 11.301 -2.417 1.100 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.637 -0.149 0.722 1.00 0.00 C ATOM 554 CZ TYR A 41 11.548 -1.172 0.560 1.00 0.00 C ATOM 555 OH TYR A 41 12.710 -0.948 -0.142 1.00 0.00 O ATOM 0 H TYR A 41 8.768 -3.778 4.790 1.00 0.00 H new ATOM 0 HA TYR A 41 8.459 -0.867 4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.508 -2.831 2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.191 -1.108 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.942 -3.614 2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.762 0.427 1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.017 -3.216 0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.833 0.825 0.298 1.00 0.00 H new ATOM 0 HH TYR A 41 12.729 -0.020 -0.456 1.00 0.00 H new ATOM 565 N GLU A 42 5.838 -1.215 4.814 1.00 0.00 N ATOM 566 CA GLU A 42 4.523 -1.365 5.426 1.00 0.00 C ATOM 567 C GLU A 42 3.425 -0.883 4.481 1.00 0.00 C ATOM 568 O GLU A 42 3.580 0.129 3.797 1.00 0.00 O ATOM 569 CB GLU A 42 4.456 -0.586 6.741 1.00 0.00 C ATOM 570 CG GLU A 42 3.499 -1.188 7.757 1.00 0.00 C ATOM 571 CD GLU A 42 4.161 -2.234 8.633 1.00 0.00 C ATOM 572 OE1 GLU A 42 5.385 -2.437 8.493 1.00 0.00 O ATOM 573 OE2 GLU A 42 3.454 -2.850 9.458 1.00 0.00 O ATOM 0 H GLU A 42 5.958 -0.358 4.274 1.00 0.00 H new ATOM 0 HA GLU A 42 4.365 -2.424 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.454 -0.540 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.152 0.439 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.097 -0.394 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.656 -1.639 7.234 1.00 0.00 H new ATOM 580 N VAL A 43 2.317 -1.616 4.448 1.00 0.00 N ATOM 581 CA VAL A 43 1.193 -1.264 3.588 1.00 0.00 C ATOM 582 C VAL A 43 -0.051 -0.947 4.411 1.00 0.00 C ATOM 583 O VAL A 43 -0.385 -1.666 5.354 1.00 0.00 O ATOM 584 CB VAL A 43 0.866 -2.399 2.600 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.410 -2.088 1.832 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.029 -2.628 1.648 1.00 0.00 C ATOM 0 H VAL A 43 2.173 -2.457 5.007 1.00 0.00 H new ATOM 0 HA VAL A 43 1.489 -0.378 3.027 1.00 0.00 H new ATOM 0 HB VAL A 43 0.705 -3.316 3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.625 -2.901 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.239 -1.979 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.282 -1.160 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.780 -3.433 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.224 -1.715 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.917 -2.900 2.218 1.00 0.00 H new ATOM 596 N LYS A 44 -0.733 0.134 4.049 1.00 0.00 N ATOM 597 CA LYS A 44 -1.942 0.547 4.752 1.00 0.00 C ATOM 598 C LYS A 44 -3.051 0.900 3.766 1.00 0.00 C ATOM 599 O LYS A 44 -2.961 1.894 3.046 1.00 0.00 O ATOM 600 CB LYS A 44 -1.647 1.746 5.655 1.00 0.00 C ATOM 601 CG LYS A 44 -2.892 2.380 6.251 1.00 0.00 C ATOM 602 CD LYS A 44 -2.609 3.775 6.781 1.00 0.00 C ATOM 603 CE LYS A 44 -2.176 3.741 8.239 1.00 0.00 C ATOM 604 NZ LYS A 44 -1.548 5.023 8.661 1.00 0.00 N ATOM 0 H LYS A 44 -0.469 0.740 3.272 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.278 -0.288 5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.989 1.428 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.106 2.498 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.674 2.430 5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.270 1.753 7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.829 4.242 6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.502 4.392 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.041 3.535 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.470 2.924 8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.591 5.106 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.555 5.041 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.059 5.819 8.229 1.00 0.00 H new ATOM 618 N TYR A 45 -4.096 0.080 3.740 1.00 0.00 N ATOM 619 CA TYR A 45 -5.222 0.306 2.841 1.00 0.00 C ATOM 620 C TYR A 45 -6.535 0.360 3.616 1.00 0.00 C ATOM 621 O TYR A 45 -6.771 -0.444 4.518 1.00 0.00 O ATOM 622 CB TYR A 45 -5.287 -0.796 1.783 1.00 0.00 C ATOM 623 CG TYR A 45 -5.435 -2.185 2.364 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.342 -2.858 2.893 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.670 -2.822 2.383 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.473 -4.127 3.424 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.810 -4.090 2.913 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.709 -4.739 3.432 1.00 0.00 C ATOM 629 OH TYR A 45 -5.844 -6.002 3.961 1.00 0.00 O ATOM 0 H TYR A 45 -4.187 -0.747 4.331 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.072 1.266 2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.126 -0.599 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.382 -0.759 1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.373 -2.382 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.534 -2.318 1.977 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.612 -4.637 3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.777 -4.571 2.921 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.779 -6.288 3.890 1.00 0.00 H new ATOM 639 N HIS A 46 -7.388 1.315 3.257 1.00 0.00 N ATOM 640 CA HIS A 46 -8.679 1.474 3.916 1.00 0.00 C ATOM 641 C HIS A 46 -9.669 2.196 3.007 1.00 0.00 C ATOM 642 O HIS A 46 -9.352 3.238 2.433 1.00 0.00 O ATOM 643 CB HIS A 46 -8.514 2.247 5.225 1.00 0.00 C ATOM 644 CG HIS A 46 -8.636 3.731 5.064 1.00 0.00 C ATOM 645 ND1 HIS A 46 -9.762 4.438 5.430 1.00 0.00 N ATOM 646 CD2 HIS A 46 -7.764 4.643 4.574 1.00 0.00 C ATOM 647 CE1 HIS A 46 -9.578 5.721 5.170 1.00 0.00 C ATOM 648 NE2 HIS A 46 -8.373 5.872 4.651 1.00 0.00 N ATOM 0 H HIS A 46 -7.208 1.990 2.514 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.072 0.481 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.265 1.904 5.937 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.539 2.015 5.654 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.774 4.442 4.193 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.292 6.511 5.351 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.961 6.757 4.355 1.00 0.00 H new ATOM 657 N GLU A 47 -10.867 1.634 2.879 1.00 0.00 N ATOM 658 CA GLU A 47 -11.901 2.225 2.038 1.00 0.00 C ATOM 659 C GLU A 47 -12.033 3.721 2.307 1.00 0.00 C ATOM 660 O GLU A 47 -12.070 4.155 3.459 1.00 0.00 O ATOM 661 CB GLU A 47 -13.243 1.531 2.279 1.00 0.00 C ATOM 662 CG GLU A 47 -14.199 1.629 1.102 1.00 0.00 C ATOM 663 CD GLU A 47 -15.467 0.824 1.311 1.00 0.00 C ATOM 664 OE1 GLU A 47 -16.427 1.371 1.893 1.00 0.00 O ATOM 665 OE2 GLU A 47 -15.499 -0.353 0.894 1.00 0.00 O ATOM 0 H GLU A 47 -11.145 0.771 3.347 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.610 2.086 0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.064 0.480 2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.716 1.969 3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.460 2.674 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.696 1.280 0.200 1.00 0.00 H new ATOM 672 N LYS A 48 -12.104 4.505 1.237 1.00 0.00 N ATOM 673 CA LYS A 48 -12.234 5.952 1.355 1.00 0.00 C ATOM 674 C LYS A 48 -13.229 6.322 2.451 1.00 0.00 C ATOM 675 O LYS A 48 -12.850 6.862 3.489 1.00 0.00 O ATOM 676 CB LYS A 48 -12.680 6.556 0.022 1.00 0.00 C ATOM 677 CG LYS A 48 -12.549 8.068 -0.036 1.00 0.00 C ATOM 678 CD LYS A 48 -12.649 8.582 -1.462 1.00 0.00 C ATOM 679 CE LYS A 48 -11.941 9.919 -1.623 1.00 0.00 C ATOM 680 NZ LYS A 48 -12.676 11.022 -0.945 1.00 0.00 N ATOM 0 H LYS A 48 -12.074 4.162 0.277 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.258 6.358 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.088 6.118 -0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.719 6.283 -0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.330 8.525 0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.593 8.368 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.212 7.853 -2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.698 8.689 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.934 9.848 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.838 10.150 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.161 11.916 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.629 11.107 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.753 10.815 0.071 1.00 0.00 H new ATOM 769 N VAL A 56 -9.060 0.531 9.057 1.00 0.00 N ATOM 770 CA VAL A 56 -7.840 0.423 8.265 1.00 0.00 C ATOM 771 C VAL A 56 -7.076 -0.852 8.604 1.00 0.00 C ATOM 772 O VAL A 56 -7.072 -1.300 9.750 1.00 0.00 O ATOM 773 CB VAL A 56 -6.917 1.636 8.488 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.596 1.798 9.966 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.643 1.493 7.670 1.00 0.00 C ATOM 0 HA VAL A 56 -8.143 0.394 7.218 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.438 2.533 8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.943 2.660 10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.520 1.949 10.524 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.095 0.901 10.330 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.003 2.359 7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.117 0.588 7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.895 1.430 6.611 1.00 0.00 H new ATOM 785 N ARG A 57 -6.428 -1.432 7.598 1.00 0.00 N ATOM 786 CA ARG A 57 -5.660 -2.656 7.789 1.00 0.00 C ATOM 787 C ARG A 57 -4.172 -2.405 7.563 1.00 0.00 C ATOM 788 O ARG A 57 -3.781 -1.370 7.023 1.00 0.00 O ATOM 789 CB ARG A 57 -6.155 -3.747 6.837 1.00 0.00 C ATOM 790 CG ARG A 57 -7.432 -4.427 7.302 1.00 0.00 C ATOM 791 CD ARG A 57 -7.149 -5.480 8.362 1.00 0.00 C ATOM 792 NE ARG A 57 -8.359 -5.877 9.077 1.00 0.00 N ATOM 793 CZ ARG A 57 -9.201 -6.806 8.638 1.00 0.00 C ATOM 794 NH1 ARG A 57 -8.965 -7.431 7.493 1.00 0.00 N ATOM 795 NH2 ARG A 57 -10.281 -7.111 9.346 1.00 0.00 N ATOM 0 H ARG A 57 -6.420 -1.074 6.643 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.802 -2.988 8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.324 -3.310 5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.374 -4.499 6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.118 -3.681 7.703 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.929 -4.891 6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.702 -6.356 7.892 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.419 -5.092 9.072 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.569 -5.416 9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.135 -7.199 6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.613 -8.144 7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.465 -6.632 10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.927 -7.824 9.009 1.00 0.00 H new ATOM 809 N PHE A 58 -3.347 -3.360 7.980 1.00 0.00 N ATOM 810 CA PHE A 58 -1.901 -3.242 7.825 1.00 0.00 C ATOM 811 C PHE A 58 -1.301 -4.549 7.314 1.00 0.00 C ATOM 812 O PHE A 58 -1.744 -5.636 7.686 1.00 0.00 O ATOM 813 CB PHE A 58 -1.254 -2.856 9.156 1.00 0.00 C ATOM 814 CG PHE A 58 -1.464 -1.416 9.530 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.601 -1.024 10.217 1.00 0.00 C ATOM 816 CD2 PHE A 58 -0.524 -0.456 9.195 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.797 0.300 10.561 1.00 0.00 C ATOM 818 CE2 PHE A 58 -0.714 0.870 9.537 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.852 1.248 10.222 1.00 0.00 C ATOM 0 H PHE A 58 -3.654 -4.224 8.427 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.701 -2.460 7.092 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.658 -3.491 9.945 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.184 -3.057 9.102 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.343 -1.761 10.487 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.368 -0.747 8.660 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.689 0.593 11.095 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.026 1.609 9.269 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.003 2.283 10.492 1.00 0.00 H new ATOM 829 N LEU A 59 -0.291 -4.434 6.459 1.00 0.00 N ATOM 830 CA LEU A 59 0.371 -5.605 5.896 1.00 0.00 C ATOM 831 C LEU A 59 1.886 -5.426 5.893 1.00 0.00 C ATOM 832 O LEU A 59 2.416 -4.541 5.221 1.00 0.00 O ATOM 833 CB LEU A 59 -0.126 -5.862 4.472 1.00 0.00 C ATOM 834 CG LEU A 59 0.756 -6.760 3.604 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.477 -8.226 3.898 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.536 -6.459 2.129 1.00 0.00 C ATOM 0 H LEU A 59 0.087 -3.542 6.141 1.00 0.00 H new ATOM 0 HA LEU A 59 0.126 -6.464 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.118 -6.309 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.238 -4.901 3.969 1.00 0.00 H new ATOM 0 HG LEU A 59 1.799 -6.554 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.114 -8.850 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.686 -8.433 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.569 -8.447 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.172 -7.108 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.509 -6.636 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.787 -5.417 1.929 1.00 0.00 H new ATOM 848 N LYS A 60 2.579 -6.273 6.647 1.00 0.00 N ATOM 849 CA LYS A 60 4.033 -6.211 6.729 1.00 0.00 C ATOM 850 C LYS A 60 4.676 -7.063 5.640 1.00 0.00 C ATOM 851 O LYS A 60 4.341 -8.237 5.476 1.00 0.00 O ATOM 852 CB LYS A 60 4.507 -6.682 8.106 1.00 0.00 C ATOM 853 CG LYS A 60 4.219 -5.690 9.220 1.00 0.00 C ATOM 854 CD LYS A 60 4.058 -6.388 10.560 1.00 0.00 C ATOM 855 CE LYS A 60 3.977 -5.388 11.703 1.00 0.00 C ATOM 856 NZ LYS A 60 5.314 -4.830 12.047 1.00 0.00 N ATOM 0 H LYS A 60 2.156 -7.011 7.210 1.00 0.00 H new ATOM 0 HA LYS A 60 4.336 -5.175 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.025 -7.631 8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.580 -6.870 8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.031 -4.965 9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.311 -5.133 8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.156 -7.000 10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.899 -7.062 10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.304 -4.576 11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.549 -5.873 12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.222 -4.178 12.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.959 -5.605 12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.697 -4.316 11.228 1.00 0.00 H new ATOM 870 N THR A 61 5.604 -6.466 4.898 1.00 0.00 N ATOM 871 CA THR A 61 6.294 -7.170 3.824 1.00 0.00 C ATOM 872 C THR A 61 7.733 -6.687 3.686 1.00 0.00 C ATOM 873 O THR A 61 7.993 -5.485 3.642 1.00 0.00 O ATOM 874 CB THR A 61 5.571 -6.987 2.476 1.00 0.00 C ATOM 875 OG1 THR A 61 6.001 -7.991 1.550 1.00 0.00 O ATOM 876 CG2 THR A 61 5.845 -5.607 1.899 1.00 0.00 C ATOM 0 H THR A 61 5.895 -5.496 5.021 1.00 0.00 H new ATOM 0 HA THR A 61 6.292 -8.228 4.087 1.00 0.00 H new ATOM 0 HB THR A 61 4.499 -7.086 2.647 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.536 -7.869 0.696 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.324 -5.501 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.491 -4.845 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.917 -5.485 1.742 1.00 0.00 H new ATOM 884 N SER A 62 8.666 -7.632 3.618 1.00 0.00 N ATOM 885 CA SER A 62 10.080 -7.301 3.488 1.00 0.00 C ATOM 886 C SER A 62 10.468 -7.143 2.021 1.00 0.00 C ATOM 887 O SER A 62 11.500 -7.652 1.583 1.00 0.00 O ATOM 888 CB SER A 62 10.941 -8.385 4.141 1.00 0.00 C ATOM 889 OG SER A 62 12.303 -7.996 4.185 1.00 0.00 O ATOM 0 H SER A 62 8.468 -8.632 3.651 1.00 0.00 H new ATOM 0 HA SER A 62 10.254 -6.353 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.582 -8.579 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.843 -9.317 3.583 1.00 0.00 H new ATOM 0 HG SER A 62 12.614 -7.791 3.279 1.00 0.00 H new ATOM 895 N GLU A 63 9.634 -6.434 1.268 1.00 0.00 N ATOM 896 CA GLU A 63 9.889 -6.210 -0.150 1.00 0.00 C ATOM 897 C GLU A 63 9.060 -5.040 -0.674 1.00 0.00 C ATOM 898 O GLU A 63 8.087 -4.625 -0.046 1.00 0.00 O ATOM 899 CB GLU A 63 9.573 -7.473 -0.954 1.00 0.00 C ATOM 900 CG GLU A 63 8.107 -7.871 -0.913 1.00 0.00 C ATOM 901 CD GLU A 63 7.903 -9.364 -1.080 1.00 0.00 C ATOM 902 OE1 GLU A 63 8.722 -10.138 -0.541 1.00 0.00 O ATOM 903 OE2 GLU A 63 6.926 -9.758 -1.749 1.00 0.00 O ATOM 0 H GLU A 63 8.776 -6.005 1.616 1.00 0.00 H new ATOM 0 HA GLU A 63 10.945 -5.967 -0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.869 -7.317 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.175 -8.297 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.674 -7.553 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.569 -7.344 -1.701 1.00 0.00 H new ATOM 910 N ASN A 64 9.454 -4.513 -1.829 1.00 0.00 N ATOM 911 CA ASN A 64 8.750 -3.391 -2.437 1.00 0.00 C ATOM 912 C ASN A 64 7.560 -3.877 -3.259 1.00 0.00 C ATOM 913 O ASN A 64 7.140 -3.218 -4.211 1.00 0.00 O ATOM 914 CB ASN A 64 9.701 -2.584 -3.323 1.00 0.00 C ATOM 915 CG ASN A 64 10.132 -3.351 -4.558 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.996 -4.573 -4.622 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.654 -2.636 -5.547 1.00 0.00 N ATOM 0 H ASN A 64 10.257 -4.846 -2.362 1.00 0.00 H new ATOM 0 HA ASN A 64 8.379 -2.750 -1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.213 -1.658 -3.626 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.583 -2.305 -2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.961 -3.098 -6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.748 -1.625 -5.451 1.00 0.00 H new ATOM 924 N ARG A 65 7.021 -5.033 -2.885 1.00 0.00 N ATOM 925 CA ARG A 65 5.881 -5.607 -3.588 1.00 0.00 C ATOM 926 C ARG A 65 4.948 -6.324 -2.616 1.00 0.00 C ATOM 927 O ARG A 65 5.399 -7.022 -1.708 1.00 0.00 O ATOM 928 CB ARG A 65 6.357 -6.581 -4.667 1.00 0.00 C ATOM 929 CG ARG A 65 7.376 -7.593 -4.167 1.00 0.00 C ATOM 930 CD ARG A 65 7.955 -8.411 -5.310 1.00 0.00 C ATOM 931 NE ARG A 65 8.544 -9.663 -4.843 1.00 0.00 N ATOM 932 CZ ARG A 65 8.866 -10.670 -5.649 1.00 0.00 C ATOM 933 NH1 ARG A 65 8.657 -10.571 -6.954 1.00 0.00 N ATOM 934 NH2 ARG A 65 9.399 -11.777 -5.148 1.00 0.00 N ATOM 0 H ARG A 65 7.356 -5.590 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 65 5.330 -4.793 -4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.495 -7.114 -5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.794 -6.014 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.180 -7.074 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.905 -8.259 -3.444 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.170 -8.628 -6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.714 -7.824 -5.828 1.00 0.00 H new ATOM 0 HE ARG A 65 8.718 -9.771 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.248 -9.721 -7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.905 -11.345 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.562 -11.856 -4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.646 -12.549 -5.767 1.00 0.00 H new ATOM 948 N ALA A 66 3.646 -6.146 -2.814 1.00 0.00 N ATOM 949 CA ALA A 66 2.650 -6.777 -1.956 1.00 0.00 C ATOM 950 C ALA A 66 1.370 -7.077 -2.729 1.00 0.00 C ATOM 951 O ALA A 66 1.095 -6.456 -3.756 1.00 0.00 O ATOM 952 CB ALA A 66 2.349 -5.891 -0.757 1.00 0.00 C ATOM 0 H ALA A 66 3.256 -5.570 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 66 3.059 -7.723 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.604 -6.375 -0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.262 -5.732 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.965 -4.931 -1.101 1.00 0.00 H new ATOM 958 N GLU A 67 0.592 -8.032 -2.230 1.00 0.00 N ATOM 959 CA GLU A 67 -0.658 -8.413 -2.876 1.00 0.00 C ATOM 960 C GLU A 67 -1.809 -8.419 -1.874 1.00 0.00 C ATOM 961 O GLU A 67 -1.779 -9.148 -0.881 1.00 0.00 O ATOM 962 CB GLU A 67 -0.523 -9.794 -3.523 1.00 0.00 C ATOM 963 CG GLU A 67 -1.667 -10.141 -4.461 1.00 0.00 C ATOM 964 CD GLU A 67 -1.422 -11.425 -5.229 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.770 -11.366 -6.293 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.882 -12.490 -4.766 1.00 0.00 O ATOM 0 H GLU A 67 0.805 -8.556 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.877 -7.677 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.415 -9.837 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.465 -10.549 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.588 -10.236 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.815 -9.323 -5.166 1.00 0.00 H new ATOM 973 N LEU A 68 -2.822 -7.603 -2.141 1.00 0.00 N ATOM 974 CA LEU A 68 -3.984 -7.512 -1.263 1.00 0.00 C ATOM 975 C LEU A 68 -5.101 -8.433 -1.742 1.00 0.00 C ATOM 976 O LEU A 68 -5.349 -8.552 -2.942 1.00 0.00 O ATOM 977 CB LEU A 68 -4.488 -6.070 -1.199 1.00 0.00 C ATOM 978 CG LEU A 68 -3.476 -5.025 -0.725 1.00 0.00 C ATOM 979 CD1 LEU A 68 -4.071 -3.628 -0.812 1.00 0.00 C ATOM 980 CD2 LEU A 68 -3.024 -5.327 0.696 1.00 0.00 C ATOM 0 H LEU A 68 -2.863 -6.994 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.680 -7.828 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.838 -5.784 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.352 -6.037 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.605 -5.068 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.337 -2.898 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.344 -3.413 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.959 -3.571 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.304 -4.574 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.886 -5.313 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.557 -6.311 0.728 1.00 0.00 H new ATOM 992 N ARG A 69 -5.774 -9.080 -0.797 1.00 0.00 N ATOM 993 CA ARG A 69 -6.866 -9.989 -1.123 1.00 0.00 C ATOM 994 C ARG A 69 -8.144 -9.589 -0.390 1.00 0.00 C ATOM 995 O ARG A 69 -8.099 -8.888 0.620 1.00 0.00 O ATOM 996 CB ARG A 69 -6.487 -11.426 -0.761 1.00 0.00 C ATOM 997 CG ARG A 69 -5.366 -11.994 -1.615 1.00 0.00 C ATOM 998 CD ARG A 69 -4.771 -13.247 -0.993 1.00 0.00 C ATOM 999 NE ARG A 69 -5.479 -14.455 -1.408 1.00 0.00 N ATOM 1000 CZ ARG A 69 -5.050 -15.685 -1.149 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -3.921 -15.869 -0.478 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -5.750 -16.734 -1.560 1.00 0.00 N ATOM 0 H ARG A 69 -5.582 -8.992 0.201 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.048 -9.928 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.188 -11.461 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.367 -12.061 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.747 -12.226 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.586 -11.243 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.721 -13.328 -1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.804 -13.163 0.093 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.351 -14.348 -1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.380 -15.065 -0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.594 -16.815 -0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.619 -16.597 -2.076 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.419 -17.678 -1.360 1.00 0.00 H new ATOM 1016 N GLY A 70 -9.283 -10.040 -0.907 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.556 -9.718 -0.290 1.00 0.00 C ATOM 1018 C GLY A 70 -10.820 -8.226 -0.250 1.00 0.00 C ATOM 1019 O GLY A 70 -10.624 -7.581 0.781 1.00 0.00 O ATOM 0 H GLY A 70 -9.347 -10.622 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.358 -10.211 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.575 -10.115 0.725 1.00 0.00 H new ATOM 1023 N LEU A 71 -11.265 -7.675 -1.374 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.555 -6.248 -1.463 1.00 0.00 C ATOM 1025 C LEU A 71 -12.729 -5.989 -2.402 1.00 0.00 C ATOM 1026 O LEU A 71 -12.943 -6.726 -3.365 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.321 -5.486 -1.949 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.998 -5.851 -1.274 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.824 -5.494 -2.172 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.875 -5.150 0.071 1.00 0.00 C ATOM 0 H LEU A 71 -11.433 -8.194 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.824 -5.894 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.216 -5.650 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.497 -4.420 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.984 -6.927 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.891 -5.761 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.904 -6.042 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.833 -4.423 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.928 -5.421 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.911 -4.071 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.698 -5.455 0.717 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.486 -4.935 -2.117 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.637 -4.575 -2.937 1.00 0.00 C ATOM 1044 C LYS A 72 -14.191 -3.983 -4.270 1.00 0.00 C ATOM 1045 O LYS A 72 -13.792 -2.821 -4.342 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.525 -3.574 -2.195 1.00 0.00 C ATOM 1047 CG LYS A 72 -16.119 -4.125 -0.909 1.00 0.00 C ATOM 1048 CD LYS A 72 -17.322 -5.011 -1.186 1.00 0.00 C ATOM 1049 CE LYS A 72 -18.230 -5.113 0.030 1.00 0.00 C ATOM 1050 NZ LYS A 72 -17.792 -6.190 0.961 1.00 0.00 N ATOM 0 H LYS A 72 -13.323 -4.315 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.208 -5.482 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.940 -2.684 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.334 -3.261 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.361 -4.696 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.415 -3.300 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.885 -4.610 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.984 -6.006 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.239 -4.159 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.252 -5.308 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.436 -6.227 1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.807 -7.104 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.826 -5.991 1.292 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.263 -4.789 -5.324 1.00 0.00 N ATOM 1065 CA ARG A 73 -13.867 -4.345 -6.655 1.00 0.00 C ATOM 1066 C ARG A 73 -14.741 -3.185 -7.123 1.00 0.00 C ATOM 1067 O ARG A 73 -14.436 -2.526 -8.117 1.00 0.00 O ATOM 1068 CB ARG A 73 -13.960 -5.502 -7.651 1.00 0.00 C ATOM 1069 CG ARG A 73 -15.384 -5.959 -7.924 1.00 0.00 C ATOM 1070 CD ARG A 73 -15.994 -5.211 -9.099 1.00 0.00 C ATOM 1071 NE ARG A 73 -17.409 -5.527 -9.274 1.00 0.00 N ATOM 1072 CZ ARG A 73 -18.173 -4.981 -10.214 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -17.661 -4.097 -11.059 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -19.452 -5.320 -10.309 1.00 0.00 N ATOM 0 H ARG A 73 -14.592 -5.754 -5.282 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.834 -4.002 -6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.498 -5.199 -8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.384 -6.345 -7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.391 -7.029 -8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.994 -5.802 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.879 -4.138 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.451 -5.463 -10.010 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.834 -6.204 -8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.678 -3.834 -10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.250 -3.680 -11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.849 -6.000 -9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.038 -4.901 -11.031 1.00 0.00 H new ATOM 1088 N GLY A 74 -15.831 -2.942 -6.401 1.00 0.00 N ATOM 1089 CA GLY A 74 -16.733 -1.863 -6.758 1.00 0.00 C ATOM 1090 C GLY A 74 -16.793 -0.782 -5.697 1.00 0.00 C ATOM 1091 O GLY A 74 -17.874 -0.400 -5.251 1.00 0.00 O ATOM 0 H GLY A 74 -16.105 -3.474 -5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.413 -1.423 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.733 -2.267 -6.917 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.627 -0.289 -5.290 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.552 0.754 -4.275 1.00 0.00 C ATOM 1097 C ALA A 75 -14.215 1.486 -4.338 1.00 0.00 C ATOM 1098 O ALA A 75 -13.368 1.179 -5.176 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.765 0.160 -2.890 1.00 0.00 C ATOM 0 H ALA A 75 -14.722 -0.595 -5.648 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.343 1.477 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.706 0.951 -2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.747 -0.311 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.995 -0.585 -2.691 1.00 0.00 H new ATOM 1105 N SER A 76 -14.034 2.456 -3.447 1.00 0.00 N ATOM 1106 CA SER A 76 -12.802 3.234 -3.405 1.00 0.00 C ATOM 1107 C SER A 76 -11.855 2.696 -2.337 1.00 0.00 C ATOM 1108 O SER A 76 -12.286 2.292 -1.257 1.00 0.00 O ATOM 1109 CB SER A 76 -13.114 4.707 -3.131 1.00 0.00 C ATOM 1110 OG SER A 76 -13.546 5.365 -4.309 1.00 0.00 O ATOM 0 H SER A 76 -14.725 2.721 -2.745 1.00 0.00 H new ATOM 0 HA SER A 76 -12.313 3.147 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.886 4.782 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.226 5.203 -2.739 1.00 0.00 H new ATOM 0 HG SER A 76 -13.740 6.304 -4.107 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.564 2.694 -2.647 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.555 2.204 -1.716 1.00 0.00 C ATOM 1118 C TYR A 77 -8.263 3.007 -1.839 1.00 0.00 C ATOM 1119 O TYR A 77 -7.606 2.993 -2.881 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.273 0.722 -1.970 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.311 -0.202 -1.375 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -11.550 -0.371 -1.981 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -10.052 -0.908 -0.206 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -12.501 -1.213 -1.440 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -10.997 -1.755 0.341 1.00 0.00 C ATOM 1126 CZ TYR A 77 -12.220 -1.903 -0.279 1.00 0.00 C ATOM 1127 OH TYR A 77 -13.165 -2.745 0.262 1.00 0.00 O ATOM 0 H TYR A 77 -10.191 3.026 -3.536 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.942 2.326 -0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.219 0.550 -3.045 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.296 0.471 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.773 0.166 -2.891 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.096 -0.793 0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.460 -1.331 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.779 -2.298 1.249 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.809 -3.155 1.078 1.00 0.00 H new ATOM 1137 N LEU A 78 -7.905 3.706 -0.768 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.691 4.515 -0.754 1.00 0.00 C ATOM 1139 C LEU A 78 -5.560 3.789 -0.032 1.00 0.00 C ATOM 1140 O LEU A 78 -5.487 3.796 1.196 1.00 0.00 O ATOM 1141 CB LEU A 78 -6.960 5.861 -0.078 1.00 0.00 C ATOM 1142 CG LEU A 78 -7.980 6.767 -0.769 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -9.386 6.457 -0.282 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -7.641 8.231 -0.530 1.00 0.00 C ATOM 0 H LEU A 78 -8.437 3.729 0.102 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.387 4.687 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.302 5.672 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.017 6.402 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.939 6.576 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.098 7.112 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.628 5.418 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.442 6.619 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.377 8.861 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.653 8.437 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.650 8.445 -0.930 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.678 3.163 -0.805 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.549 2.434 -0.241 1.00 0.00 C ATOM 1158 C VAL A 79 -2.350 3.353 -0.035 1.00 0.00 C ATOM 1159 O VAL A 79 -2.093 4.244 -0.843 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.131 1.258 -1.144 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -2.014 0.456 -0.495 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.328 0.370 -1.449 1.00 0.00 C ATOM 0 H VAL A 79 -4.724 3.146 -1.824 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.875 2.043 0.723 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.756 1.661 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.733 -0.370 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.150 1.101 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.357 0.062 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.015 -0.456 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.734 -0.025 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.094 0.954 -1.960 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.619 3.128 1.053 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.446 3.937 1.365 1.00 0.00 C ATOM 1174 C GLN A 80 0.734 3.055 1.758 1.00 0.00 C ATOM 1175 O GLN A 80 0.675 2.326 2.748 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.764 4.918 2.494 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.842 5.928 2.138 1.00 0.00 C ATOM 1178 CD GLN A 80 -2.115 6.911 3.259 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -1.247 7.701 3.632 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -3.325 6.869 3.803 1.00 0.00 N ATOM 0 H GLN A 80 -1.818 2.393 1.732 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.174 4.499 0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.080 4.357 3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.146 5.452 2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.540 6.476 1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.763 5.399 1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.014 6.198 3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.566 7.508 4.561 1.00 0.00 H new ATOM 1189 N VAL A 81 1.806 3.125 0.975 1.00 0.00 N ATOM 1190 CA VAL A 81 3.001 2.334 1.242 1.00 0.00 C ATOM 1191 C VAL A 81 4.133 3.208 1.770 1.00 0.00 C ATOM 1192 O VAL A 81 4.392 4.290 1.243 1.00 0.00 O ATOM 1193 CB VAL A 81 3.482 1.599 -0.024 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.596 0.621 0.317 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.321 0.884 -0.697 1.00 0.00 C ATOM 0 H VAL A 81 1.871 3.722 0.150 1.00 0.00 H new ATOM 0 HA VAL A 81 2.731 1.599 2.000 1.00 0.00 H new ATOM 0 HB VAL A 81 3.879 2.336 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.923 0.111 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.436 1.163 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.229 -0.113 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.678 0.370 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.892 0.157 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.559 1.611 -0.978 1.00 0.00 H new ATOM 1205 N ARG A 82 4.804 2.732 2.813 1.00 0.00 N ATOM 1206 CA ARG A 82 5.908 3.470 3.413 1.00 0.00 C ATOM 1207 C ARG A 82 7.158 2.600 3.505 1.00 0.00 C ATOM 1208 O ARG A 82 7.082 1.375 3.414 1.00 0.00 O ATOM 1209 CB ARG A 82 5.519 3.971 4.805 1.00 0.00 C ATOM 1210 CG ARG A 82 5.483 2.876 5.858 1.00 0.00 C ATOM 1211 CD ARG A 82 5.567 3.451 7.263 1.00 0.00 C ATOM 1212 NE ARG A 82 4.998 2.547 8.260 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.942 2.826 9.557 1.00 0.00 C ATOM 1214 NH1 ARG A 82 5.417 3.977 10.013 1.00 0.00 N ATOM 1215 NH2 ARG A 82 4.409 1.952 10.402 1.00 0.00 N ATOM 0 H ARG A 82 4.602 1.838 3.260 1.00 0.00 H new ATOM 0 HA ARG A 82 6.128 4.326 2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.227 4.739 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.538 4.444 4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.564 2.300 5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.311 2.186 5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.609 3.653 7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.041 4.405 7.296 1.00 0.00 H new ATOM 0 HE ARG A 82 4.623 1.653 7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.827 4.651 9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.372 4.188 11.010 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.042 1.066 10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.366 2.167 11.398 1.00 0.00 H new ATOM 1229 N ALA A 83 8.308 3.242 3.687 1.00 0.00 N ATOM 1230 CA ALA A 83 9.574 2.526 3.793 1.00 0.00 C ATOM 1231 C ALA A 83 10.152 2.641 5.199 1.00 0.00 C ATOM 1232 O ALA A 83 9.807 3.553 5.950 1.00 0.00 O ATOM 1233 CB ALA A 83 10.566 3.054 2.767 1.00 0.00 C ATOM 0 H ALA A 83 8.389 4.256 3.764 1.00 0.00 H new ATOM 0 HA ALA A 83 9.386 1.472 3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.507 2.511 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.161 2.915 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.742 4.115 2.943 1.00 0.00 H new ATOM 1239 N ARG A 84 11.034 1.709 5.549 1.00 0.00 N ATOM 1240 CA ARG A 84 11.659 1.705 6.866 1.00 0.00 C ATOM 1241 C ARG A 84 13.152 1.410 6.758 1.00 0.00 C ATOM 1242 O ARG A 84 13.559 0.445 6.111 1.00 0.00 O ATOM 1243 CB ARG A 84 10.988 0.669 7.769 1.00 0.00 C ATOM 1244 CG ARG A 84 11.734 0.418 9.069 1.00 0.00 C ATOM 1245 CD ARG A 84 11.401 1.471 10.115 1.00 0.00 C ATOM 1246 NE ARG A 84 12.209 1.319 11.321 1.00 0.00 N ATOM 1247 CZ ARG A 84 12.028 0.349 12.210 1.00 0.00 C ATOM 1248 NH1 ARG A 84 11.071 -0.551 12.028 1.00 0.00 N ATOM 1249 NH2 ARG A 84 12.804 0.277 13.284 1.00 0.00 N ATOM 0 H ARG A 84 11.331 0.948 4.939 1.00 0.00 H new ATOM 0 HA ARG A 84 11.532 2.695 7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.976 1.002 7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.898 -0.271 7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.478 -0.570 9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.807 0.418 8.880 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.561 2.464 9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.345 1.402 10.375 1.00 0.00 H new ATOM 0 HE ARG A 84 12.954 1.995 11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.472 -0.499 11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.934 -1.295 12.712 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.541 0.967 13.428 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.663 -0.469 13.966 1.00 0.00 H new ATOM 1263 N SER A 85 13.963 2.248 7.395 1.00 0.00 N ATOM 1264 CA SER A 85 15.411 2.081 7.367 1.00 0.00 C ATOM 1265 C SER A 85 15.990 2.116 8.778 1.00 0.00 C ATOM 1266 O SER A 85 15.314 2.514 9.727 1.00 0.00 O ATOM 1267 CB SER A 85 16.056 3.173 6.512 1.00 0.00 C ATOM 1268 OG SER A 85 17.276 2.724 5.946 1.00 0.00 O ATOM 0 H SER A 85 13.642 3.050 7.937 1.00 0.00 H new ATOM 0 HA SER A 85 15.630 1.108 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.371 3.470 5.718 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.238 4.057 7.123 1.00 0.00 H new ATOM 0 HG SER A 85 17.668 3.440 5.403 1.00 0.00 H new ATOM 1274 N GLU A 86 17.244 1.696 8.908 1.00 0.00 N ATOM 1275 CA GLU A 86 17.914 1.679 10.203 1.00 0.00 C ATOM 1276 C GLU A 86 17.502 2.885 11.044 1.00 0.00 C ATOM 1277 O GLU A 86 17.216 2.756 12.234 1.00 0.00 O ATOM 1278 CB GLU A 86 19.432 1.668 10.018 1.00 0.00 C ATOM 1279 CG GLU A 86 19.961 0.381 9.405 1.00 0.00 C ATOM 1280 CD GLU A 86 21.467 0.254 9.524 1.00 0.00 C ATOM 1281 OE1 GLU A 86 22.182 0.912 8.740 1.00 0.00 O ATOM 1282 OE2 GLU A 86 21.930 -0.504 10.402 1.00 0.00 O ATOM 0 H GLU A 86 17.817 1.363 8.132 1.00 0.00 H new ATOM 0 HA GLU A 86 17.613 0.772 10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.718 2.507 9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.909 1.822 10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.489 -0.471 9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.679 0.341 8.353 1.00 0.00 H new ATOM 1289 N ALA A 87 17.476 4.056 10.416 1.00 0.00 N ATOM 1290 CA ALA A 87 17.099 5.284 11.105 1.00 0.00 C ATOM 1291 C ALA A 87 15.752 5.130 11.803 1.00 0.00 C ATOM 1292 O ALA A 87 15.669 5.176 13.030 1.00 0.00 O ATOM 1293 CB ALA A 87 17.058 6.447 10.125 1.00 0.00 C ATOM 0 H ALA A 87 17.712 4.180 9.431 1.00 0.00 H new ATOM 0 HA ALA A 87 17.851 5.491 11.866 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.775 7.358 10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.042 6.579 9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.327 6.239 9.344 1.00 0.00 H new ATOM 1299 N GLY A 88 14.698 4.948 11.013 1.00 0.00 N ATOM 1300 CA GLY A 88 13.369 4.791 11.574 1.00 0.00 C ATOM 1301 C GLY A 88 12.286 4.816 10.513 1.00 0.00 C ATOM 1302 O GLY A 88 12.577 4.921 9.322 1.00 0.00 O ATOM 0 H GLY A 88 14.741 4.907 9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.317 3.849 12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.186 5.588 12.295 1.00 0.00 H new ATOM 1306 N TYR A 89 11.034 4.717 10.946 1.00 0.00 N ATOM 1307 CA TYR A 89 9.904 4.724 10.025 1.00 0.00 C ATOM 1308 C TYR A 89 9.748 6.090 9.365 1.00 0.00 C ATOM 1309 O TYR A 89 9.794 7.123 10.032 1.00 0.00 O ATOM 1310 CB TYR A 89 8.616 4.351 10.762 1.00 0.00 C ATOM 1311 CG TYR A 89 8.337 2.865 10.779 1.00 0.00 C ATOM 1312 CD1 TYR A 89 8.080 2.173 9.602 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.332 2.153 11.972 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.824 0.815 9.613 1.00 0.00 C ATOM 1315 CE2 TYR A 89 8.078 0.795 11.992 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.824 0.131 10.810 1.00 0.00 C ATOM 1317 OH TYR A 89 7.570 -1.222 10.825 1.00 0.00 O ATOM 0 H TYR A 89 10.776 4.631 11.929 1.00 0.00 H new ATOM 0 HA TYR A 89 10.097 3.985 9.247 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.677 4.713 11.788 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.777 4.864 10.293 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.080 2.705 8.662 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.530 2.670 12.899 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.625 0.292 8.689 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.078 0.256 12.928 1.00 0.00 H new ATOM 0 HH TYR A 89 7.608 -1.552 11.747 1.00 0.00 H new ATOM 1327 N GLY A 90 9.561 6.087 8.049 1.00 0.00 N ATOM 1328 CA GLY A 90 9.400 7.330 7.319 1.00 0.00 C ATOM 1329 C GLY A 90 7.946 7.659 7.047 1.00 0.00 C ATOM 1330 O GLY A 90 7.047 6.859 7.307 1.00 0.00 O ATOM 0 H GLY A 90 9.518 5.245 7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.853 8.143 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.937 7.264 6.373 1.00 0.00 H new ATOM 1334 N PRO A 91 7.697 8.864 6.513 1.00 0.00 N ATOM 1335 CA PRO A 91 6.342 9.325 6.196 1.00 0.00 C ATOM 1336 C PRO A 91 5.734 8.569 5.019 1.00 0.00 C ATOM 1337 O PRO A 91 6.338 8.473 3.951 1.00 0.00 O ATOM 1338 CB PRO A 91 6.544 10.800 5.837 1.00 0.00 C ATOM 1339 CG PRO A 91 7.957 10.887 5.374 1.00 0.00 C ATOM 1340 CD PRO A 91 8.720 9.869 6.177 1.00 0.00 C ATOM 0 HA PRO A 91 5.652 9.164 7.025 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.852 11.116 5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 91 6.369 11.445 6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.031 10.678 4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.358 11.888 5.531 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.537 9.434 5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.159 10.310 7.072 1.00 0.00 H new ATOM 1348 N PHE A 92 4.534 8.035 5.222 1.00 0.00 N ATOM 1349 CA PHE A 92 3.843 7.287 4.178 1.00 0.00 C ATOM 1350 C PHE A 92 3.988 7.980 2.826 1.00 0.00 C ATOM 1351 O PHE A 92 3.782 9.188 2.710 1.00 0.00 O ATOM 1352 CB PHE A 92 2.362 7.131 4.527 1.00 0.00 C ATOM 1353 CG PHE A 92 2.072 5.935 5.387 1.00 0.00 C ATOM 1354 CD1 PHE A 92 1.812 4.700 4.814 1.00 0.00 C ATOM 1355 CD2 PHE A 92 2.058 6.044 6.768 1.00 0.00 C ATOM 1356 CE1 PHE A 92 1.545 3.597 5.603 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.792 4.945 7.562 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.534 3.719 6.978 1.00 0.00 C ATOM 0 H PHE A 92 4.020 8.106 6.100 1.00 0.00 H new ATOM 0 HA PHE A 92 4.299 6.299 4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.022 8.030 5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.786 7.054 3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.818 4.598 3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.257 7.000 7.230 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.345 2.640 5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.786 5.044 8.637 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.324 2.859 7.596 1.00 0.00 H new ATOM 1368 N GLY A 93 4.346 7.206 1.806 1.00 0.00 N ATOM 1369 CA GLY A 93 4.514 7.762 0.476 1.00 0.00 C ATOM 1370 C GLY A 93 3.294 8.534 0.012 1.00 0.00 C ATOM 1371 O GLY A 93 2.350 8.732 0.777 1.00 0.00 O ATOM 0 H GLY A 93 4.523 6.204 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.382 8.421 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.720 6.956 -0.228 1.00 0.00 H new ATOM 1375 N GLN A 94 3.315 8.973 -1.242 1.00 0.00 N ATOM 1376 CA GLN A 94 2.203 9.730 -1.805 1.00 0.00 C ATOM 1377 C GLN A 94 0.950 8.866 -1.900 1.00 0.00 C ATOM 1378 O GLN A 94 0.952 7.823 -2.552 1.00 0.00 O ATOM 1379 CB GLN A 94 2.573 10.267 -3.189 1.00 0.00 C ATOM 1380 CG GLN A 94 1.605 11.316 -3.712 1.00 0.00 C ATOM 1381 CD GLN A 94 1.890 12.700 -3.163 1.00 0.00 C ATOM 1382 OE1 GLN A 94 0.993 13.379 -2.665 1.00 0.00 O ATOM 1383 NE2 GLN A 94 3.145 13.124 -3.250 1.00 0.00 N ATOM 0 H GLN A 94 4.089 8.818 -1.887 1.00 0.00 H new ATOM 0 HA GLN A 94 1.994 10.569 -1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.574 10.697 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.612 9.436 -3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.658 11.343 -4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.587 11.028 -3.450 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.857 12.527 -3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.397 14.047 -2.896 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.119 9.309 -1.245 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.379 8.574 -1.256 1.00 0.00 C ATOM 1394 C GLU A 95 -1.774 8.193 -2.680 1.00 0.00 C ATOM 1395 O GLU A 95 -1.571 8.963 -3.620 1.00 0.00 O ATOM 1396 CB GLU A 95 -2.487 9.411 -0.613 1.00 0.00 C ATOM 1397 CG GLU A 95 -2.772 10.710 -1.347 1.00 0.00 C ATOM 1398 CD GLU A 95 -3.915 11.492 -0.727 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -4.823 10.857 -0.152 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -3.901 12.737 -0.818 1.00 0.00 O ATOM 0 H GLU A 95 -0.138 10.172 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.243 7.659 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.401 8.819 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.208 9.638 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.873 11.327 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.009 10.490 -2.388 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.340 7.000 -2.831 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.765 6.516 -4.140 1.00 0.00 C ATOM 1409 C HIS A 96 -4.194 5.985 -4.086 1.00 0.00 C ATOM 1410 O HIS A 96 -4.644 5.490 -3.052 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.820 5.420 -4.633 1.00 0.00 C ATOM 1412 CG HIS A 96 -2.051 5.026 -6.059 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -1.864 5.890 -7.118 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -2.453 3.852 -6.600 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -2.144 5.265 -8.248 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -2.504 4.027 -7.961 1.00 0.00 N ATOM 0 H HIS A 96 -2.515 6.351 -2.064 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.734 7.353 -4.837 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.791 5.762 -4.521 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.934 4.541 -3.999 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.690 2.946 -6.061 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.088 5.693 -9.238 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.776 3.316 -8.640 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.903 6.093 -5.205 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.282 5.624 -5.284 1.00 0.00 C ATOM 1427 C HIS A 97 -6.393 4.419 -6.214 1.00 0.00 C ATOM 1428 O HIS A 97 -6.407 4.566 -7.436 1.00 0.00 O ATOM 1429 CB HIS A 97 -7.197 6.747 -5.773 1.00 0.00 C ATOM 1430 CG HIS A 97 -8.522 6.263 -6.278 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -8.999 6.555 -7.538 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -9.470 5.501 -5.685 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -10.185 5.995 -7.698 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -10.494 5.349 -6.589 1.00 0.00 N ATOM 0 H HIS A 97 -4.546 6.501 -6.069 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.595 5.320 -4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.363 7.450 -4.957 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.692 7.295 -6.569 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.430 5.089 -4.687 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.798 6.055 -8.585 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.353 4.823 -6.429 1.00 0.00 H new ATOM 1443 N SER A 98 -6.472 3.230 -5.627 1.00 0.00 N ATOM 1444 CA SER A 98 -6.577 2.000 -6.403 1.00 0.00 C ATOM 1445 C SER A 98 -7.741 2.076 -7.387 1.00 0.00 C ATOM 1446 O SER A 98 -8.904 2.113 -6.986 1.00 0.00 O ATOM 1447 CB SER A 98 -6.759 0.799 -5.473 1.00 0.00 C ATOM 1448 OG SER A 98 -5.507 0.267 -5.076 1.00 0.00 O ATOM 0 H SER A 98 -6.465 3.092 -4.616 1.00 0.00 H new ATOM 0 HA SER A 98 -5.653 1.876 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.326 1.100 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.341 0.029 -5.979 1.00 0.00 H new ATOM 0 HG SER A 98 -5.621 -0.266 -4.262 1.00 0.00 H new