USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 853 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 3 LYS NZ :NH3+ -147:sc= -0.948 (180deg=-2.94!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -142:sc= 0.275 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00313 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 142:sc= 0.517 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= -0.0641 (180deg=-0.485) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.941 (180deg=-2.56!) USER MOD Single : A 43 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.08) USER MOD Single : A 44 SER OG : rot 150:sc= 0.892 USER MOD Single : A 46 SER OG : rot 93:sc= 0.661 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.86! K(o=-2.9!,f=-2.3) USER MOD Single : A 63 GLN : amide:sc= -1.29! C(o=-1.3!,f=-6.7!) USER MOD Single : A 67 SER OG : rot 68:sc= 1.11 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.024 (180deg=-0.351) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.924 USER MOD Single : A 76 THR OG1 : rot -37:sc= -1.67! USER MOD Single : A 78 GLN : amide:sc= -2.88! C(o=-2.9!,f=-3.6!) USER MOD Single : A 81 LYS NZ :NH3+ -147:sc= -3.05 (180deg=-3.3) USER MOD Single : A 82 LYS NZ :NH3+ 152:sc= -1.18 (180deg=-2.57!) USER MOD Single : A 84 GLN : amide:sc= -3.12! K(o=-3.1!,f=-0.4) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 130:sc= 1.19 USER MOD Single : A 93 ASN : amide:sc= -1.19 K(o=-1.2,f=-5.6!) USER MOD Single : A 94 LYS NZ :NH3+ -125:sc= 1.47 (180deg=-0.323) USER MOD Single : A 96 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.213) USER MOD Single : A 100 THR OG1 : rot -170:sc= 0.315 USER MOD Single : A 102 ASN : amide:sc= -1.69! C(o=-1.7!,f=-1.7!) USER MOD Single : B 5 TYR OH : rot -169:sc= -3.03! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.863 -1.798 8.910 1.00 0.24 N ATOM 21 CA VAL A 2 -2.538 -1.641 8.239 1.00 0.19 C ATOM 22 C VAL A 2 -1.721 -2.922 8.441 1.00 0.22 C ATOM 23 O VAL A 2 -1.999 -3.712 9.322 1.00 0.28 O ATOM 24 CB VAL A 2 -1.792 -0.456 8.858 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.380 -0.376 8.270 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.544 0.843 8.552 1.00 0.30 C ATOM 0 HA VAL A 2 -2.682 -1.461 7.174 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.730 -0.594 9.937 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.151 0.468 8.711 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.158 -1.298 8.490 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.443 -0.241 7.190 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.011 1.685 8.994 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.609 0.980 7.473 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.549 0.789 8.972 1.00 0.30 H new ATOM 36 N LYS A 3 -0.712 -3.136 7.637 1.00 0.18 N ATOM 37 CA LYS A 3 0.123 -4.366 7.790 1.00 0.22 C ATOM 38 C LYS A 3 1.522 -4.103 7.232 1.00 0.16 C ATOM 39 O LYS A 3 1.683 -3.689 6.102 1.00 0.13 O ATOM 40 CB LYS A 3 -0.508 -5.534 7.026 1.00 0.26 C ATOM 41 CG LYS A 3 0.180 -6.836 7.445 1.00 0.34 C ATOM 42 CD LYS A 3 -0.429 -8.011 6.680 1.00 0.81 C ATOM 43 CE LYS A 3 0.212 -9.316 7.155 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.470 -10.472 6.505 1.00 1.97 N ATOM 0 H LYS A 3 -0.430 -2.512 6.881 1.00 0.18 H new ATOM 0 HA LYS A 3 0.184 -4.621 8.848 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.576 -5.588 7.237 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.403 -5.382 5.952 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.250 -6.774 7.244 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.066 -6.990 8.518 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.507 -8.043 6.840 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.269 -7.884 5.609 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.274 -9.322 6.910 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.135 -9.398 8.239 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.477 -11.282 7.157 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.448 -10.210 6.268 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 0.039 -10.731 5.636 1.00 1.97 H new ATOM 58 N GLN A 4 2.536 -4.337 8.019 1.00 0.18 N ATOM 59 CA GLN A 4 3.931 -4.098 7.546 1.00 0.15 C ATOM 60 C GLN A 4 4.478 -5.367 6.884 1.00 0.13 C ATOM 61 O GLN A 4 4.383 -6.456 7.418 1.00 0.14 O ATOM 62 CB GLN A 4 4.805 -3.715 8.748 1.00 0.20 C ATOM 63 CG GLN A 4 6.295 -3.783 8.372 1.00 0.21 C ATOM 64 CD GLN A 4 7.116 -2.980 9.383 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.938 -3.120 10.577 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.015 -2.136 8.955 1.00 0.98 N ATOM 0 H GLN A 4 2.459 -4.685 8.975 1.00 0.18 H new ATOM 0 HA GLN A 4 3.940 -3.290 6.815 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.554 -2.708 9.082 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.603 -4.388 9.582 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.630 -4.820 8.358 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.446 -3.386 7.368 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.166 -2.017 7.953 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.566 -1.596 9.622 1.00 0.98 H new ATOM 75 N ILE A 5 5.067 -5.221 5.728 1.00 0.10 N ATOM 76 CA ILE A 5 5.654 -6.388 5.002 1.00 0.10 C ATOM 77 C ILE A 5 7.178 -6.283 5.094 1.00 0.10 C ATOM 78 O ILE A 5 7.778 -5.416 4.491 1.00 0.11 O ATOM 79 CB ILE A 5 5.258 -6.317 3.526 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.740 -6.049 3.364 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.673 -7.603 2.801 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.875 -7.002 4.211 1.00 0.19 C ATOM 0 H ILE A 5 5.169 -4.327 5.247 1.00 0.10 H new ATOM 0 HA ILE A 5 5.296 -7.321 5.438 1.00 0.10 H new ATOM 0 HB ILE A 5 5.787 -5.480 3.070 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.524 -5.019 3.649 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.467 -6.153 2.314 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.385 -7.538 1.752 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.753 -7.729 2.874 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.176 -8.457 3.262 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.821 -6.769 4.059 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.066 -8.032 3.909 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.125 -6.880 5.265 1.00 0.19 H new ATOM 94 N GLU A 6 7.808 -7.146 5.841 1.00 0.11 N ATOM 95 CA GLU A 6 9.295 -7.079 5.972 1.00 0.14 C ATOM 96 C GLU A 6 9.939 -8.138 5.071 1.00 0.14 C ATOM 97 O GLU A 6 11.128 -8.117 4.827 1.00 0.17 O ATOM 98 CB GLU A 6 9.673 -7.347 7.425 1.00 0.18 C ATOM 99 CG GLU A 6 8.789 -6.505 8.345 1.00 0.31 C ATOM 100 CD GLU A 6 9.281 -6.640 9.786 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.305 -6.054 10.100 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.626 -7.325 10.554 1.00 1.96 O ATOM 0 H GLU A 6 7.360 -7.896 6.368 1.00 0.11 H new ATOM 0 HA GLU A 6 9.649 -6.093 5.672 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.551 -8.406 7.654 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.723 -7.104 7.590 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.816 -5.460 8.036 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.752 -6.833 8.271 1.00 0.31 H new ATOM 109 N SER A 7 9.160 -9.061 4.571 1.00 0.13 N ATOM 110 CA SER A 7 9.727 -10.118 3.680 1.00 0.15 C ATOM 111 C SER A 7 8.640 -10.623 2.730 1.00 0.14 C ATOM 112 O SER A 7 7.461 -10.498 2.997 1.00 0.12 O ATOM 113 CB SER A 7 10.249 -11.277 4.529 1.00 0.20 C ATOM 114 OG SER A 7 9.317 -11.560 5.565 1.00 0.23 O ATOM 0 H SER A 7 8.156 -9.129 4.740 1.00 0.13 H new ATOM 0 HA SER A 7 10.548 -9.700 3.098 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.398 -12.160 3.907 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.218 -11.021 4.957 1.00 0.20 H new ATOM 0 HG SER A 7 9.649 -12.304 6.109 1.00 0.23 H new ATOM 120 N LYS A 8 9.028 -11.190 1.622 1.00 0.15 N ATOM 121 CA LYS A 8 8.018 -11.698 0.652 1.00 0.14 C ATOM 122 C LYS A 8 7.033 -12.625 1.374 1.00 0.14 C ATOM 123 O LYS A 8 5.911 -12.809 0.947 1.00 0.13 O ATOM 124 CB LYS A 8 8.727 -12.472 -0.467 1.00 0.17 C ATOM 125 CG LYS A 8 7.804 -12.575 -1.685 1.00 0.21 C ATOM 126 CD LYS A 8 8.453 -13.458 -2.753 1.00 0.22 C ATOM 127 CE LYS A 8 7.490 -13.622 -3.932 1.00 1.06 C ATOM 128 NZ LYS A 8 8.205 -14.261 -5.073 1.00 1.90 N ATOM 0 H LYS A 8 10.001 -11.324 1.346 1.00 0.15 H new ATOM 0 HA LYS A 8 7.473 -10.857 0.222 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.653 -11.967 -0.742 1.00 0.17 H new ATOM 0 HB3 LYS A 8 8.998 -13.468 -0.118 1.00 0.17 H new ATOM 0 HG2 LYS A 8 6.842 -12.993 -1.389 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.609 -11.582 -2.090 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.387 -13.010 -3.092 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.701 -14.433 -2.333 1.00 0.22 H new ATOM 0 HE2 LYS A 8 6.637 -14.232 -3.636 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.098 -12.650 -4.233 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 7.884 -13.836 -5.966 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.229 -14.113 -4.968 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.002 -15.281 -5.083 1.00 1.90 H new ATOM 142 N THR A 9 7.441 -13.212 2.462 1.00 0.16 N ATOM 143 CA THR A 9 6.522 -14.123 3.200 1.00 0.18 C ATOM 144 C THR A 9 5.283 -13.345 3.650 1.00 0.16 C ATOM 145 O THR A 9 4.162 -13.774 3.455 1.00 0.17 O ATOM 146 CB THR A 9 7.241 -14.693 4.416 1.00 0.21 C ATOM 147 OG1 THR A 9 8.532 -15.147 4.034 1.00 0.24 O ATOM 148 CG2 THR A 9 6.435 -15.861 4.990 1.00 0.25 C ATOM 0 H THR A 9 8.368 -13.102 2.872 1.00 0.16 H new ATOM 0 HA THR A 9 6.216 -14.940 2.546 1.00 0.18 H new ATOM 0 HB THR A 9 7.340 -13.917 5.175 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.995 -15.512 4.817 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.952 -16.267 5.860 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.446 -15.510 5.286 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.332 -16.639 4.233 1.00 0.25 H new ATOM 156 N ALA A 10 5.478 -12.203 4.248 1.00 0.16 N ATOM 157 CA ALA A 10 4.317 -11.391 4.711 1.00 0.17 C ATOM 158 C ALA A 10 3.573 -10.827 3.497 1.00 0.15 C ATOM 159 O ALA A 10 2.390 -10.553 3.556 1.00 0.17 O ATOM 160 CB ALA A 10 4.819 -10.239 5.585 1.00 0.20 C ATOM 0 H ALA A 10 6.394 -11.795 4.437 1.00 0.16 H new ATOM 0 HA ALA A 10 3.640 -12.019 5.291 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.971 -9.644 5.925 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.349 -10.641 6.448 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.495 -9.610 5.005 1.00 0.20 H new ATOM 166 N PHE A 11 4.255 -10.650 2.399 1.00 0.12 N ATOM 167 CA PHE A 11 3.585 -10.102 1.185 1.00 0.11 C ATOM 168 C PHE A 11 2.444 -11.027 0.763 1.00 0.13 C ATOM 169 O PHE A 11 1.287 -10.681 0.866 1.00 0.16 O ATOM 170 CB PHE A 11 4.598 -9.990 0.041 1.00 0.10 C ATOM 171 CG PHE A 11 3.904 -9.506 -1.213 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.434 -8.180 -1.290 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.734 -10.377 -2.308 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.793 -7.727 -2.460 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.093 -9.923 -3.476 1.00 0.18 C ATOM 176 CZ PHE A 11 2.623 -8.598 -3.553 1.00 0.21 C ATOM 0 H PHE A 11 5.247 -10.861 2.290 1.00 0.12 H new ATOM 0 HA PHE A 11 3.185 -9.114 1.414 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.396 -9.300 0.316 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.063 -10.959 -0.141 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.565 -7.511 -0.452 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.096 -11.393 -2.251 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.432 -6.711 -2.518 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.962 -10.592 -4.314 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.132 -8.250 -4.450 1.00 0.21 H new ATOM 186 N GLN A 12 2.762 -12.197 0.283 1.00 0.15 N ATOM 187 CA GLN A 12 1.692 -13.136 -0.157 1.00 0.19 C ATOM 188 C GLN A 12 0.688 -13.349 0.976 1.00 0.17 C ATOM 189 O GLN A 12 -0.508 -13.356 0.761 1.00 0.16 O ATOM 190 CB GLN A 12 2.319 -14.480 -0.544 1.00 0.24 C ATOM 191 CG GLN A 12 3.140 -15.028 0.628 1.00 1.21 C ATOM 192 CD GLN A 12 4.002 -16.195 0.144 1.00 1.77 C ATOM 193 OE1 GLN A 12 5.054 -15.992 -0.428 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.598 -17.418 0.352 1.00 2.47 N ATOM 0 H GLN A 12 3.715 -12.544 0.176 1.00 0.15 H new ATOM 0 HA GLN A 12 1.175 -12.712 -1.018 1.00 0.19 H new ATOM 0 HB2 GLN A 12 1.539 -15.190 -0.817 1.00 0.24 H new ATOM 0 HB3 GLN A 12 2.956 -14.355 -1.419 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.772 -14.242 1.042 1.00 1.21 H new ATOM 0 HG3 GLN A 12 2.477 -15.359 1.427 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.715 -17.589 0.832 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.166 -18.204 0.034 1.00 2.47 H new ATOM 203 N GLU A 13 1.157 -13.524 2.178 1.00 0.19 N ATOM 204 CA GLU A 13 0.224 -13.739 3.314 1.00 0.20 C ATOM 205 C GLU A 13 -0.718 -12.539 3.445 1.00 0.18 C ATOM 206 O GLU A 13 -1.882 -12.687 3.764 1.00 0.19 O ATOM 207 CB GLU A 13 1.030 -13.907 4.604 1.00 0.25 C ATOM 208 CG GLU A 13 1.619 -15.318 4.671 1.00 0.30 C ATOM 209 CD GLU A 13 2.338 -15.507 6.008 1.00 1.29 C ATOM 210 OE1 GLU A 13 1.913 -14.902 6.977 1.00 2.03 O ATOM 211 OE2 GLU A 13 3.303 -16.253 6.039 1.00 2.10 O ATOM 0 H GLU A 13 2.147 -13.527 2.422 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.368 -14.637 3.134 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.830 -13.168 4.642 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.390 -13.729 5.468 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.827 -16.060 4.563 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.315 -15.473 3.846 1.00 0.30 H new ATOM 218 N ALA A 14 -0.231 -11.352 3.206 1.00 0.18 N ATOM 219 CA ALA A 14 -1.111 -10.157 3.324 1.00 0.18 C ATOM 220 C ALA A 14 -2.266 -10.273 2.323 1.00 0.18 C ATOM 221 O ALA A 14 -3.411 -10.023 2.644 1.00 0.19 O ATOM 222 CB ALA A 14 -0.299 -8.895 3.029 1.00 0.20 C ATOM 0 H ALA A 14 0.733 -11.159 2.935 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.514 -10.099 4.335 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.943 -8.020 3.115 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.521 -8.814 3.743 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.105 -8.950 2.018 1.00 0.20 H new ATOM 228 N LEU A 15 -1.967 -10.654 1.111 1.00 0.17 N ATOM 229 CA LEU A 15 -3.034 -10.794 0.074 1.00 0.18 C ATOM 230 C LEU A 15 -4.008 -11.903 0.482 1.00 0.18 C ATOM 231 O LEU A 15 -5.209 -11.748 0.397 1.00 0.18 O ATOM 232 CB LEU A 15 -2.391 -11.140 -1.274 1.00 0.19 C ATOM 233 CG LEU A 15 -1.120 -10.307 -1.472 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.562 -10.556 -2.875 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.450 -8.821 -1.315 1.00 0.62 C ATOM 0 H LEU A 15 -1.024 -10.876 0.791 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.580 -9.855 -0.015 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.150 -12.202 -1.310 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.094 -10.945 -2.084 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.379 -10.595 -0.726 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.342 -9.964 -3.017 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.325 -11.614 -2.990 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.305 -10.268 -3.619 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.545 -8.230 -1.456 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.192 -8.532 -2.060 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.849 -8.640 -0.317 1.00 0.62 H new ATOM 247 N ASP A 16 -3.500 -13.023 0.917 1.00 0.19 N ATOM 248 CA ASP A 16 -4.399 -14.141 1.323 1.00 0.21 C ATOM 249 C ASP A 16 -5.226 -13.724 2.543 1.00 0.20 C ATOM 250 O ASP A 16 -6.404 -14.003 2.628 1.00 0.20 O ATOM 251 CB ASP A 16 -3.559 -15.370 1.673 1.00 0.24 C ATOM 252 CG ASP A 16 -4.484 -16.546 1.996 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.666 -16.311 2.182 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.993 -17.662 2.051 1.00 1.09 O ATOM 0 H ASP A 16 -2.502 -13.213 1.009 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.070 -14.380 0.498 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.905 -15.626 0.839 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.917 -15.154 2.527 1.00 0.24 H new ATOM 259 N ALA A 17 -4.617 -13.066 3.491 1.00 0.22 N ATOM 260 CA ALA A 17 -5.373 -12.641 4.704 1.00 0.24 C ATOM 261 C ALA A 17 -6.196 -11.390 4.388 1.00 0.21 C ATOM 262 O ALA A 17 -7.088 -11.021 5.127 1.00 0.22 O ATOM 263 CB ALA A 17 -4.389 -12.331 5.834 1.00 0.30 C ATOM 0 H ALA A 17 -3.631 -12.805 3.479 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.042 -13.444 5.012 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.940 -12.020 6.721 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.805 -13.223 6.063 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.719 -11.529 5.523 1.00 0.30 H new ATOM 269 N ALA A 18 -5.907 -10.733 3.298 1.00 0.21 N ATOM 270 CA ALA A 18 -6.677 -9.507 2.942 1.00 0.22 C ATOM 271 C ALA A 18 -8.108 -9.893 2.559 1.00 0.21 C ATOM 272 O ALA A 18 -8.954 -9.046 2.347 1.00 0.24 O ATOM 273 CB ALA A 18 -6.003 -8.806 1.760 1.00 0.23 C ATOM 0 H ALA A 18 -5.172 -10.991 2.639 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.701 -8.833 3.798 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.566 -7.910 1.500 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -4.985 -8.529 2.034 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -5.977 -9.480 0.904 1.00 0.23 H new ATOM 279 N GLY A 19 -8.388 -11.165 2.466 1.00 0.22 N ATOM 280 CA GLY A 19 -9.765 -11.599 2.096 1.00 0.24 C ATOM 281 C GLY A 19 -10.036 -11.246 0.633 1.00 0.20 C ATOM 282 O GLY A 19 -9.367 -11.723 -0.263 1.00 0.28 O ATOM 0 H GLY A 19 -7.723 -11.921 2.630 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.872 -12.673 2.248 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.497 -11.111 2.740 1.00 0.24 H new ATOM 286 N ASP A 20 -11.014 -10.410 0.385 1.00 0.13 N ATOM 287 CA ASP A 20 -11.343 -10.011 -1.019 1.00 0.18 C ATOM 288 C ASP A 20 -11.516 -8.493 -1.083 1.00 0.15 C ATOM 289 O ASP A 20 -11.848 -7.940 -2.113 1.00 0.22 O ATOM 290 CB ASP A 20 -12.645 -10.692 -1.451 1.00 0.26 C ATOM 291 CG ASP A 20 -12.534 -12.200 -1.217 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.854 -12.634 -0.123 1.00 2.19 O ATOM 293 OD2 ASP A 20 -12.134 -12.895 -2.136 1.00 2.21 O ATOM 0 H ASP A 20 -11.603 -9.984 1.100 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.536 -10.316 -1.686 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.485 -10.286 -0.887 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.842 -10.490 -2.504 1.00 0.26 H new ATOM 298 N LYS A 21 -11.281 -7.809 0.005 1.00 0.12 N ATOM 299 CA LYS A 21 -11.419 -6.329 -0.005 1.00 0.19 C ATOM 300 C LYS A 21 -10.292 -5.740 -0.843 1.00 0.15 C ATOM 301 O LYS A 21 -9.346 -6.418 -1.193 1.00 0.15 O ATOM 302 CB LYS A 21 -11.324 -5.799 1.426 1.00 0.27 C ATOM 303 CG LYS A 21 -12.652 -6.034 2.145 1.00 0.29 C ATOM 304 CD LYS A 21 -12.460 -5.825 3.648 1.00 0.30 C ATOM 305 CE LYS A 21 -13.822 -5.646 4.321 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.671 -5.798 5.795 1.00 1.90 N ATOM 0 H LYS A 21 -11.000 -8.213 0.898 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.383 -6.046 -0.428 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.516 -6.301 1.958 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.087 -4.735 1.416 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.410 -5.349 1.765 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.010 -7.045 1.950 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.939 -6.679 4.080 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.837 -4.948 3.827 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.229 -4.663 4.086 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.528 -6.383 3.939 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.597 -5.676 6.253 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.300 -6.745 6.010 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.011 -5.078 6.152 1.00 1.90 H new ATOM 320 N LEU A 22 -10.377 -4.485 -1.169 1.00 0.13 N ATOM 321 CA LEU A 22 -9.308 -3.866 -1.979 1.00 0.11 C ATOM 322 C LEU A 22 -8.005 -3.915 -1.166 1.00 0.10 C ATOM 323 O LEU A 22 -8.030 -4.044 0.042 1.00 0.11 O ATOM 324 CB LEU A 22 -9.714 -2.407 -2.292 1.00 0.12 C ATOM 325 CG LEU A 22 -9.643 -2.106 -3.799 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.988 -0.628 -4.021 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.230 -2.400 -4.348 1.00 0.11 C ATOM 0 H LEU A 22 -11.142 -3.864 -0.908 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.159 -4.396 -2.920 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.727 -2.226 -1.932 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.058 -1.723 -1.753 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.353 -2.743 -4.327 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.942 -0.400 -5.086 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.994 -0.430 -3.651 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.274 -0.003 -3.485 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -8.201 -2.181 -5.415 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.501 -1.777 -3.830 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.988 -3.451 -4.187 1.00 0.11 H new ATOM 339 N VAL A 23 -6.872 -3.815 -1.812 1.00 0.08 N ATOM 340 CA VAL A 23 -5.575 -3.857 -1.065 1.00 0.09 C ATOM 341 C VAL A 23 -4.594 -2.874 -1.699 1.00 0.08 C ATOM 342 O VAL A 23 -4.056 -3.117 -2.760 1.00 0.09 O ATOM 343 CB VAL A 23 -4.989 -5.272 -1.128 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.874 -5.411 -0.090 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.090 -6.293 -0.833 1.00 0.10 C ATOM 0 H VAL A 23 -6.787 -3.706 -2.823 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.748 -3.583 -0.024 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.582 -5.452 -2.123 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.458 -6.417 -0.136 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.089 -4.684 -0.299 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.279 -5.231 0.906 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.674 -7.300 -0.878 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.497 -6.112 0.162 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.884 -6.195 -1.573 1.00 0.10 H new ATOM 355 N VAL A 24 -4.354 -1.760 -1.049 1.00 0.08 N ATOM 356 CA VAL A 24 -3.404 -0.747 -1.600 1.00 0.08 C ATOM 357 C VAL A 24 -2.069 -0.867 -0.868 1.00 0.08 C ATOM 358 O VAL A 24 -2.016 -0.938 0.344 1.00 0.08 O ATOM 359 CB VAL A 24 -3.986 0.658 -1.410 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.289 1.645 -2.353 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.484 0.635 -1.716 1.00 0.09 C ATOM 0 H VAL A 24 -4.779 -1.510 -0.156 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.249 -0.922 -2.665 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.827 0.974 -0.379 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.708 2.641 -2.212 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.222 1.666 -2.133 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.441 1.331 -3.386 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.898 1.634 -1.581 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.640 0.314 -2.746 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.983 -0.059 -1.040 1.00 0.09 H new ATOM 371 N VAL A 25 -0.994 -0.905 -1.605 1.00 0.09 N ATOM 372 CA VAL A 25 0.363 -1.037 -0.991 1.00 0.09 C ATOM 373 C VAL A 25 1.127 0.271 -1.160 1.00 0.10 C ATOM 374 O VAL A 25 1.179 0.831 -2.234 1.00 0.17 O ATOM 375 CB VAL A 25 1.125 -2.150 -1.710 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.332 -2.578 -0.873 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.194 -3.344 -1.915 1.00 0.09 C ATOM 0 H VAL A 25 -0.996 -0.849 -2.623 1.00 0.09 H new ATOM 0 HA VAL A 25 0.264 -1.270 0.069 1.00 0.09 H new ATOM 0 HB VAL A 25 1.474 -1.786 -2.676 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.871 -3.371 -1.391 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.994 -1.725 -0.727 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.992 -2.943 0.096 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.732 -4.141 -2.428 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.153 -3.705 -0.947 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.662 -3.039 -2.517 1.00 0.09 H new ATOM 387 N ASP A 26 1.730 0.750 -0.110 1.00 0.08 N ATOM 388 CA ASP A 26 2.511 2.018 -0.194 1.00 0.08 C ATOM 389 C ASP A 26 4.002 1.684 -0.184 1.00 0.08 C ATOM 390 O ASP A 26 4.584 1.437 0.853 1.00 0.09 O ATOM 391 CB ASP A 26 2.174 2.897 1.011 1.00 0.09 C ATOM 392 CG ASP A 26 3.057 4.146 0.993 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.262 4.688 -0.081 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.512 4.541 2.054 1.00 0.96 O ATOM 0 H ASP A 26 1.716 0.315 0.812 1.00 0.08 H new ATOM 0 HA ASP A 26 2.261 2.551 -1.112 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.122 3.182 0.984 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.330 2.341 1.935 1.00 0.09 H new ATOM 399 N PHE A 27 4.627 1.679 -1.328 1.00 0.08 N ATOM 400 CA PHE A 27 6.081 1.369 -1.378 1.00 0.09 C ATOM 401 C PHE A 27 6.840 2.652 -1.072 1.00 0.11 C ATOM 402 O PHE A 27 7.337 3.318 -1.958 1.00 0.13 O ATOM 403 CB PHE A 27 6.452 0.900 -2.783 1.00 0.10 C ATOM 404 CG PHE A 27 6.078 -0.553 -2.982 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.747 -0.914 -3.278 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.070 -1.547 -2.888 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.414 -2.271 -3.478 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.736 -2.899 -3.090 1.00 0.21 C ATOM 409 CZ PHE A 27 5.410 -3.260 -3.383 1.00 0.23 C ATOM 0 H PHE A 27 4.193 1.876 -2.230 1.00 0.08 H new ATOM 0 HA PHE A 27 6.328 0.588 -0.659 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.942 1.516 -3.523 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.522 1.030 -2.944 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.984 -0.153 -3.351 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.089 -1.272 -2.660 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.395 -2.550 -3.704 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.499 -3.660 -3.020 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.155 -4.298 -3.536 1.00 0.23 H new ATOM 419 N SER A 28 6.922 3.005 0.179 1.00 0.11 N ATOM 420 CA SER A 28 7.637 4.253 0.571 1.00 0.12 C ATOM 421 C SER A 28 8.997 3.887 1.157 1.00 0.10 C ATOM 422 O SER A 28 9.480 2.784 0.998 1.00 0.11 O ATOM 423 CB SER A 28 6.807 4.988 1.626 1.00 0.17 C ATOM 424 OG SER A 28 5.670 5.572 1.001 1.00 1.03 O ATOM 0 H SER A 28 6.521 2.478 0.955 1.00 0.11 H new ATOM 0 HA SER A 28 7.777 4.894 -0.299 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.492 4.295 2.406 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.409 5.759 2.108 1.00 0.17 H new ATOM 0 HG SER A 28 4.894 5.493 1.594 1.00 1.03 H new ATOM 430 N ALA A 29 9.612 4.808 1.838 1.00 0.10 N ATOM 431 CA ALA A 29 10.946 4.538 2.454 1.00 0.15 C ATOM 432 C ALA A 29 10.986 5.197 3.835 1.00 0.18 C ATOM 433 O ALA A 29 10.796 6.389 3.976 1.00 0.26 O ATOM 434 CB ALA A 29 12.045 5.118 1.558 1.00 0.19 C ATOM 0 H ALA A 29 9.248 5.747 1.998 1.00 0.10 H new ATOM 0 HA ALA A 29 11.108 3.465 2.557 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.020 4.923 2.005 1.00 0.19 H new ATOM 0 HB2 ALA A 29 11.997 4.651 0.574 1.00 0.19 H new ATOM 0 HB3 ALA A 29 11.902 6.194 1.456 1.00 0.19 H new ATOM 440 N THR A 30 11.207 4.418 4.858 1.00 0.18 N ATOM 441 CA THR A 30 11.235 4.976 6.241 1.00 0.23 C ATOM 442 C THR A 30 12.399 5.956 6.407 1.00 0.26 C ATOM 443 O THR A 30 12.359 6.839 7.242 1.00 0.31 O ATOM 444 CB THR A 30 11.390 3.830 7.245 1.00 0.26 C ATOM 445 OG1 THR A 30 11.462 4.361 8.560 1.00 0.32 O ATOM 446 CG2 THR A 30 12.667 3.046 6.937 1.00 0.28 C ATOM 0 H THR A 30 11.370 3.413 4.796 1.00 0.18 H new ATOM 0 HA THR A 30 10.302 5.510 6.422 1.00 0.23 H new ATOM 0 HB THR A 30 10.532 3.163 7.169 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.560 3.629 9.204 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.775 2.231 7.653 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.609 2.638 5.928 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.528 3.710 7.010 1.00 0.28 H new ATOM 454 N TRP A 31 13.443 5.811 5.635 1.00 0.26 N ATOM 455 CA TRP A 31 14.608 6.738 5.773 1.00 0.32 C ATOM 456 C TRP A 31 14.424 7.954 4.864 1.00 0.32 C ATOM 457 O TRP A 31 15.111 8.947 4.994 1.00 0.36 O ATOM 458 CB TRP A 31 15.894 6.000 5.381 1.00 0.34 C ATOM 459 CG TRP A 31 15.909 5.734 3.910 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.491 4.590 3.321 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.360 6.607 2.838 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.666 4.701 1.953 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.192 5.926 1.602 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.895 7.915 2.816 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.544 6.525 0.383 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.248 8.522 1.593 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.073 7.827 0.379 1.00 0.40 C ATOM 0 H TRP A 31 13.541 5.094 4.917 1.00 0.26 H new ATOM 0 HA TRP A 31 14.675 7.074 6.808 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.763 6.596 5.659 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.964 5.060 5.929 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.087 3.730 3.835 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.434 3.966 1.285 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.034 8.453 3.742 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.409 5.990 -0.545 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.654 9.523 1.586 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.346 8.296 -0.555 1.00 0.40 H new ATOM 478 N CYS A 32 13.511 7.879 3.934 1.00 0.28 N ATOM 479 CA CYS A 32 13.293 9.023 2.999 1.00 0.30 C ATOM 480 C CYS A 32 12.149 9.906 3.514 1.00 0.31 C ATOM 481 O CYS A 32 11.090 9.429 3.874 1.00 0.29 O ATOM 482 CB CYS A 32 12.958 8.460 1.612 1.00 0.28 C ATOM 483 SG CYS A 32 13.539 9.599 0.329 1.00 0.32 S ATOM 0 H CYS A 32 12.905 7.073 3.780 1.00 0.28 H new ATOM 0 HA CYS A 32 14.192 9.636 2.936 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.426 7.484 1.483 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.882 8.312 1.520 1.00 0.28 H new ATOM 488 N GLY A 33 12.368 11.190 3.551 1.00 0.34 N ATOM 489 CA GLY A 33 11.322 12.129 4.043 1.00 0.36 C ATOM 490 C GLY A 33 10.155 12.243 3.044 1.00 0.35 C ATOM 491 O GLY A 33 9.025 12.020 3.416 1.00 0.33 O ATOM 0 H GLY A 33 13.238 11.634 3.258 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.946 11.785 5.006 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.762 13.113 4.205 1.00 0.36 H new ATOM 495 N PRO A 34 10.447 12.615 1.813 1.00 0.37 N ATOM 496 CA PRO A 34 9.398 12.793 0.785 1.00 0.38 C ATOM 497 C PRO A 34 8.457 11.581 0.734 1.00 0.35 C ATOM 498 O PRO A 34 7.281 11.715 0.465 1.00 0.36 O ATOM 499 CB PRO A 34 10.177 12.974 -0.539 1.00 0.42 C ATOM 500 CG PRO A 34 11.657 13.253 -0.154 1.00 0.44 C ATOM 501 CD PRO A 34 11.821 12.878 1.338 1.00 0.40 C ATOM 0 HA PRO A 34 8.753 13.646 0.994 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.100 12.080 -1.158 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.766 13.800 -1.120 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.333 12.665 -0.775 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.906 14.302 -0.317 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.456 12.000 1.458 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.286 13.687 1.901 1.00 0.40 H new ATOM 509 N ALA A 35 8.954 10.408 0.993 1.00 0.33 N ATOM 510 CA ALA A 35 8.066 9.215 0.958 1.00 0.32 C ATOM 511 C ALA A 35 7.219 9.192 2.234 1.00 0.39 C ATOM 512 O ALA A 35 6.006 9.266 2.195 1.00 0.81 O ATOM 513 CB ALA A 35 8.922 7.947 0.870 1.00 0.36 C ATOM 0 H ALA A 35 9.930 10.222 1.226 1.00 0.33 H new ATOM 0 HA ALA A 35 7.410 9.259 0.088 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.273 7.071 0.844 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.526 7.978 -0.037 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.576 7.889 1.740 1.00 0.36 H new ATOM 519 N LYS A 36 7.857 9.094 3.363 1.00 0.30 N ATOM 520 CA LYS A 36 7.118 9.071 4.658 1.00 0.28 C ATOM 521 C LYS A 36 6.328 10.371 4.839 1.00 0.24 C ATOM 522 O LYS A 36 5.423 10.449 5.646 1.00 0.25 O ATOM 523 CB LYS A 36 8.135 8.929 5.795 1.00 0.35 C ATOM 524 CG LYS A 36 7.432 9.071 7.150 1.00 0.38 C ATOM 525 CD LYS A 36 8.385 8.647 8.269 1.00 0.49 C ATOM 526 CE LYS A 36 7.623 8.586 9.594 1.00 1.22 C ATOM 527 NZ LYS A 36 6.906 9.873 9.818 1.00 1.92 N ATOM 0 H LYS A 36 8.871 9.028 3.448 1.00 0.30 H new ATOM 0 HA LYS A 36 6.420 8.234 4.667 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.629 7.959 5.733 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.910 9.689 5.697 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.115 10.103 7.300 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.533 8.455 7.171 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.819 7.673 8.042 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.211 9.354 8.345 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.912 7.760 9.579 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.315 8.396 10.415 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 6.648 9.957 10.822 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.524 10.666 9.552 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.044 9.896 9.236 1.00 1.92 H new ATOM 541 N MET A 37 6.671 11.394 4.112 1.00 0.23 N ATOM 542 CA MET A 37 5.952 12.690 4.263 1.00 0.24 C ATOM 543 C MET A 37 4.464 12.510 3.952 1.00 0.20 C ATOM 544 O MET A 37 3.638 13.294 4.377 1.00 0.20 O ATOM 545 CB MET A 37 6.561 13.725 3.303 1.00 0.29 C ATOM 546 CG MET A 37 5.844 15.077 3.437 1.00 1.31 C ATOM 547 SD MET A 37 6.017 15.699 5.128 1.00 2.12 S ATOM 548 CE MET A 37 5.554 17.415 4.788 1.00 3.13 C ATOM 0 H MET A 37 7.419 11.391 3.418 1.00 0.23 H new ATOM 0 HA MET A 37 6.055 13.038 5.291 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.622 13.848 3.518 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.483 13.366 2.277 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.265 15.793 2.732 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.789 14.966 3.187 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.593 17.992 5.712 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.247 17.842 4.063 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.542 17.446 4.384 1.00 3.13 H new ATOM 558 N ILE A 38 4.111 11.497 3.201 1.00 0.18 N ATOM 559 CA ILE A 38 2.670 11.291 2.848 1.00 0.15 C ATOM 560 C ILE A 38 2.020 10.272 3.777 1.00 0.16 C ATOM 561 O ILE A 38 0.927 9.807 3.524 1.00 0.16 O ATOM 562 CB ILE A 38 2.563 10.786 1.407 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.318 11.756 0.485 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.077 10.694 0.980 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.398 11.184 -0.950 1.00 0.28 C ATOM 0 H ILE A 38 4.755 10.805 2.817 1.00 0.18 H new ATOM 0 HA ILE A 38 2.154 12.245 2.955 1.00 0.15 H new ATOM 0 HB ILE A 38 3.002 9.791 1.335 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.813 12.722 0.471 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.323 11.928 0.871 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.015 10.334 -0.047 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.551 10.003 1.639 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.618 11.680 1.047 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.936 11.883 -1.591 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.924 10.229 -0.932 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.391 11.036 -1.339 1.00 0.28 H new ATOM 577 N LYS A 39 2.658 9.911 4.856 1.00 0.19 N ATOM 578 CA LYS A 39 2.015 8.918 5.752 1.00 0.22 C ATOM 579 C LYS A 39 0.748 9.477 6.438 1.00 0.20 C ATOM 580 O LYS A 39 -0.152 8.713 6.703 1.00 0.21 O ATOM 581 CB LYS A 39 3.015 8.327 6.782 1.00 0.31 C ATOM 582 CG LYS A 39 3.257 9.250 8.000 1.00 0.34 C ATOM 583 CD LYS A 39 3.791 8.425 9.189 1.00 0.45 C ATOM 584 CE LYS A 39 2.722 7.436 9.702 1.00 1.16 C ATOM 585 NZ LYS A 39 2.965 6.090 9.103 1.00 1.62 N ATOM 0 H LYS A 39 3.574 10.252 5.149 1.00 0.19 H new ATOM 0 HA LYS A 39 1.689 8.096 5.115 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.639 7.366 7.132 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.966 8.135 6.286 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.971 10.031 7.739 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.328 9.748 8.280 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.682 7.877 8.884 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.089 9.094 9.996 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.759 7.375 10.790 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.726 7.790 9.437 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.093 5.749 8.650 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.721 6.158 8.392 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.251 5.424 9.849 1.00 1.62 H new ATOM 599 N PRO A 40 0.673 10.764 6.743 1.00 0.20 N ATOM 600 CA PRO A 40 -0.524 11.279 7.427 1.00 0.21 C ATOM 601 C PRO A 40 -1.757 11.083 6.540 1.00 0.17 C ATOM 602 O PRO A 40 -2.870 11.336 6.951 1.00 0.20 O ATOM 603 CB PRO A 40 -0.228 12.767 7.703 1.00 0.24 C ATOM 604 CG PRO A 40 1.229 13.042 7.233 1.00 0.25 C ATOM 605 CD PRO A 40 1.700 11.798 6.453 1.00 0.21 C ATOM 0 HA PRO A 40 -0.739 10.755 8.358 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.932 13.405 7.168 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.339 12.991 8.764 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.268 13.930 6.601 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.880 13.230 8.087 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.767 12.002 5.384 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.689 11.477 6.779 1.00 0.21 H new ATOM 613 N PHE A 41 -1.562 10.622 5.329 1.00 0.14 N ATOM 614 CA PHE A 41 -2.717 10.384 4.406 1.00 0.14 C ATOM 615 C PHE A 41 -2.899 8.876 4.225 1.00 0.11 C ATOM 616 O PHE A 41 -3.781 8.278 4.801 1.00 0.13 O ATOM 617 CB PHE A 41 -2.427 11.030 3.045 1.00 0.15 C ATOM 618 CG PHE A 41 -2.713 12.510 3.121 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.772 13.377 3.709 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.920 13.022 2.607 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.037 14.758 3.782 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.185 14.403 2.680 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.244 15.271 3.267 1.00 0.27 C ATOM 0 H PHE A 41 -0.647 10.399 4.937 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.623 10.821 4.825 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.387 10.863 2.765 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.042 10.569 2.273 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.847 12.983 4.104 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.642 12.356 2.157 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.316 15.424 4.232 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.110 14.797 2.286 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.448 16.330 3.322 1.00 0.27 H new ATOM 633 N PHE A 42 -2.067 8.267 3.428 1.00 0.10 N ATOM 634 CA PHE A 42 -2.177 6.796 3.184 1.00 0.11 C ATOM 635 C PHE A 42 -2.481 6.045 4.487 1.00 0.11 C ATOM 636 O PHE A 42 -3.456 5.326 4.584 1.00 0.12 O ATOM 637 CB PHE A 42 -0.853 6.293 2.607 1.00 0.13 C ATOM 638 CG PHE A 42 -0.924 4.801 2.404 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.678 4.280 1.339 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.236 3.930 3.272 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.746 2.891 1.137 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.306 2.537 3.071 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.060 2.017 2.003 1.00 0.10 C ATOM 0 H PHE A 42 -1.306 8.728 2.928 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.993 6.614 2.485 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.646 6.790 1.659 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.033 6.540 3.282 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.206 4.948 0.675 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.344 4.330 4.090 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.325 2.493 0.317 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.219 1.868 3.737 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.113 0.950 1.847 1.00 0.10 H new ATOM 653 N HIS A 43 -1.656 6.196 5.482 1.00 0.14 N ATOM 654 CA HIS A 43 -1.901 5.481 6.769 1.00 0.16 C ATOM 655 C HIS A 43 -3.166 6.035 7.447 1.00 0.16 C ATOM 656 O HIS A 43 -3.864 5.323 8.140 1.00 0.18 O ATOM 657 CB HIS A 43 -0.650 5.625 7.670 1.00 0.21 C ATOM 658 CG HIS A 43 -1.009 5.539 9.131 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.908 4.362 9.853 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.497 6.478 10.006 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.329 4.619 11.106 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.701 5.895 11.252 1.00 0.39 N ATOM 0 H HIS A 43 -0.822 6.783 5.463 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.072 4.420 6.587 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.069 4.843 7.424 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.164 6.580 7.469 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.693 7.512 9.763 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.362 3.884 11.897 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.058 6.344 12.096 1.00 0.39 H new ATOM 670 N SER A 44 -3.472 7.289 7.256 1.00 0.20 N ATOM 671 CA SER A 44 -4.698 7.855 7.896 1.00 0.25 C ATOM 672 C SER A 44 -5.951 7.180 7.318 1.00 0.20 C ATOM 673 O SER A 44 -6.888 6.884 8.033 1.00 0.21 O ATOM 674 CB SER A 44 -4.757 9.364 7.647 1.00 0.34 C ATOM 675 OG SER A 44 -3.925 10.023 8.592 1.00 0.97 O ATOM 0 H SER A 44 -2.932 7.943 6.689 1.00 0.20 H new ATOM 0 HA SER A 44 -4.660 7.669 8.969 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.428 9.591 6.633 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.783 9.720 7.736 1.00 0.34 H new ATOM 0 HG SER A 44 -3.566 10.844 8.195 1.00 0.97 H new ATOM 681 N LEU A 45 -5.981 6.941 6.033 1.00 0.18 N ATOM 682 CA LEU A 45 -7.183 6.296 5.421 1.00 0.18 C ATOM 683 C LEU A 45 -7.565 5.048 6.221 1.00 0.16 C ATOM 684 O LEU A 45 -8.648 4.518 6.076 1.00 0.23 O ATOM 685 CB LEU A 45 -6.875 5.889 3.975 1.00 0.19 C ATOM 686 CG LEU A 45 -6.452 7.114 3.152 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.058 6.661 1.743 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.614 8.120 3.064 1.00 0.50 C ATOM 0 H LEU A 45 -5.228 7.163 5.382 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.010 7.007 5.433 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.081 5.143 3.962 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.754 5.427 3.526 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.603 7.597 3.636 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.757 7.527 1.153 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.228 5.958 1.806 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -6.909 6.176 1.266 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.303 8.985 2.478 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.470 7.646 2.584 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.893 8.443 4.067 1.00 0.50 H new ATOM 700 N SER A 46 -6.689 4.570 7.059 1.00 0.20 N ATOM 701 CA SER A 46 -7.015 3.355 7.858 1.00 0.25 C ATOM 702 C SER A 46 -8.290 3.599 8.670 1.00 0.17 C ATOM 703 O SER A 46 -9.069 2.695 8.903 1.00 0.15 O ATOM 704 CB SER A 46 -5.860 3.041 8.809 1.00 0.36 C ATOM 705 OG SER A 46 -4.696 2.741 8.049 1.00 0.51 O ATOM 0 H SER A 46 -5.764 4.966 7.226 1.00 0.20 H new ATOM 0 HA SER A 46 -7.170 2.513 7.183 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.672 3.891 9.464 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.119 2.197 9.448 1.00 0.36 H new ATOM 0 HG SER A 46 -4.170 3.558 7.920 1.00 0.51 H new ATOM 711 N GLU A 47 -8.508 4.811 9.111 1.00 0.21 N ATOM 712 CA GLU A 47 -9.731 5.110 9.919 1.00 0.21 C ATOM 713 C GLU A 47 -10.845 5.642 9.013 1.00 0.18 C ATOM 714 O GLU A 47 -12.002 5.650 9.383 1.00 0.18 O ATOM 715 CB GLU A 47 -9.392 6.163 10.981 1.00 0.32 C ATOM 716 CG GLU A 47 -8.041 5.828 11.620 1.00 0.39 C ATOM 717 CD GLU A 47 -7.874 6.628 12.913 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.787 7.362 13.255 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.834 6.496 13.539 1.00 2.00 O ATOM 0 H GLU A 47 -7.893 5.608 8.947 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.073 4.194 10.401 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.356 7.154 10.528 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.170 6.189 11.744 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.981 4.760 11.831 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.232 6.062 10.928 1.00 0.39 H new ATOM 726 N LYS A 48 -10.513 6.087 7.830 1.00 0.18 N ATOM 727 CA LYS A 48 -11.565 6.618 6.910 1.00 0.17 C ATOM 728 C LYS A 48 -12.092 5.479 6.034 1.00 0.15 C ATOM 729 O LYS A 48 -13.187 5.543 5.510 1.00 0.18 O ATOM 730 CB LYS A 48 -10.960 7.708 6.018 1.00 0.21 C ATOM 731 CG LYS A 48 -12.083 8.515 5.359 1.00 0.26 C ATOM 732 CD LYS A 48 -11.482 9.679 4.566 1.00 1.09 C ATOM 733 CE LYS A 48 -12.538 10.265 3.625 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.121 11.631 3.199 1.00 2.16 N ATOM 0 H LYS A 48 -9.562 6.106 7.461 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.383 7.039 7.495 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.325 8.366 6.611 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.326 7.257 5.254 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.666 7.874 4.698 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.766 8.894 6.119 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.123 10.449 5.249 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.622 9.334 3.992 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.661 9.622 2.753 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.504 10.308 4.127 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -12.838 12.029 2.560 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.025 12.241 4.036 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.208 11.577 2.704 1.00 2.16 H new ATOM 748 N TYR A 49 -11.320 4.433 5.878 1.00 0.13 N ATOM 749 CA TYR A 49 -11.760 3.273 5.042 1.00 0.13 C ATOM 750 C TYR A 49 -11.461 1.973 5.788 1.00 0.11 C ATOM 751 O TYR A 49 -10.598 1.207 5.403 1.00 0.11 O ATOM 752 CB TYR A 49 -11.003 3.288 3.707 1.00 0.15 C ATOM 753 CG TYR A 49 -11.643 4.290 2.776 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.888 3.998 2.191 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.004 5.516 2.502 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.495 4.926 1.328 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.611 6.446 1.641 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.858 6.152 1.052 1.00 0.21 C ATOM 759 OH TYR A 49 -13.454 7.066 0.207 1.00 0.24 O ATOM 0 H TYR A 49 -10.396 4.332 6.297 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.830 3.344 4.849 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.957 3.546 3.873 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.019 2.296 3.257 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.378 3.060 2.405 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.049 5.740 2.953 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.450 4.700 0.876 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.122 7.386 1.430 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.882 7.858 0.126 1.00 0.24 H new ATOM 769 N SER A 50 -12.169 1.713 6.849 1.00 0.12 N ATOM 770 CA SER A 50 -11.931 0.462 7.616 1.00 0.13 C ATOM 771 C SER A 50 -12.348 -0.737 6.760 1.00 0.13 C ATOM 772 O SER A 50 -12.169 -1.878 7.138 1.00 0.14 O ATOM 773 CB SER A 50 -12.753 0.492 8.904 1.00 0.16 C ATOM 774 OG SER A 50 -14.132 0.617 8.578 1.00 0.17 O ATOM 0 H SER A 50 -12.905 2.315 7.219 1.00 0.12 H new ATOM 0 HA SER A 50 -10.874 0.377 7.869 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.584 -0.419 9.478 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.438 1.327 9.531 1.00 0.16 H new ATOM 0 HG SER A 50 -14.663 0.635 9.402 1.00 0.17 H new ATOM 780 N ASN A 51 -12.909 -0.484 5.604 1.00 0.13 N ATOM 781 CA ASN A 51 -13.347 -1.597 4.710 1.00 0.15 C ATOM 782 C ASN A 51 -12.257 -1.882 3.674 1.00 0.13 C ATOM 783 O ASN A 51 -12.389 -2.767 2.851 1.00 0.14 O ATOM 784 CB ASN A 51 -14.633 -1.188 3.989 1.00 0.17 C ATOM 785 CG ASN A 51 -15.159 -2.366 3.167 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.037 -3.082 3.605 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.658 -2.598 1.985 1.00 0.32 N ATOM 0 H ASN A 51 -13.083 0.453 5.240 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.526 -2.492 5.305 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.384 -0.874 4.714 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.441 -0.335 3.338 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.004 -3.380 1.429 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -13.921 -1.997 1.617 1.00 0.32 H new ATOM 794 N VAL A 52 -11.180 -1.136 3.711 1.00 0.11 N ATOM 795 CA VAL A 52 -10.064 -1.349 2.731 1.00 0.10 C ATOM 796 C VAL A 52 -8.830 -1.856 3.472 1.00 0.10 C ATOM 797 O VAL A 52 -8.591 -1.512 4.614 1.00 0.11 O ATOM 798 CB VAL A 52 -9.722 -0.021 2.058 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.565 -0.227 1.078 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.946 0.501 1.303 1.00 0.12 C ATOM 0 H VAL A 52 -11.023 -0.383 4.381 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.374 -2.078 1.982 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.429 0.704 2.817 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.321 0.721 0.598 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.692 -0.595 1.617 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.856 -0.954 0.319 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.701 1.449 0.823 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.242 -0.224 0.545 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.768 0.651 2.003 1.00 0.12 H new ATOM 810 N ILE A 53 -8.041 -2.674 2.830 1.00 0.09 N ATOM 811 CA ILE A 53 -6.813 -3.217 3.482 1.00 0.09 C ATOM 812 C ILE A 53 -5.601 -2.394 3.015 1.00 0.09 C ATOM 813 O ILE A 53 -5.370 -2.238 1.835 1.00 0.14 O ATOM 814 CB ILE A 53 -6.628 -4.680 3.053 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.989 -5.412 3.038 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.644 -5.390 3.994 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.790 -5.173 4.332 1.00 0.17 C ATOM 0 H ILE A 53 -8.195 -2.993 1.873 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.904 -3.160 4.567 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.216 -4.699 2.044 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.573 -5.073 2.183 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.824 -6.481 2.907 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.522 -6.426 3.678 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.679 -4.884 3.960 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -6.031 -5.364 5.012 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.739 -5.707 4.276 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.219 -5.537 5.186 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.980 -4.106 4.451 1.00 0.17 H new ATOM 829 N PHE A 54 -4.831 -1.865 3.932 1.00 0.08 N ATOM 830 CA PHE A 54 -3.631 -1.047 3.552 1.00 0.08 C ATOM 831 C PHE A 54 -2.360 -1.788 3.958 1.00 0.08 C ATOM 832 O PHE A 54 -2.247 -2.286 5.058 1.00 0.11 O ATOM 833 CB PHE A 54 -3.684 0.295 4.286 1.00 0.08 C ATOM 834 CG PHE A 54 -4.862 1.092 3.782 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.842 1.617 2.476 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.980 1.308 4.611 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.939 2.360 1.999 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.077 2.050 4.132 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.056 2.576 2.826 1.00 0.09 C ATOM 0 H PHE A 54 -4.981 -1.964 4.936 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.630 -0.881 2.475 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.773 0.132 5.360 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.759 0.849 4.123 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.985 1.450 1.840 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.996 0.905 5.613 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.923 2.764 0.998 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.935 2.216 4.767 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.897 3.145 2.459 1.00 0.09 H new ATOM 849 N LEU A 55 -1.401 -1.864 3.073 1.00 0.08 N ATOM 850 CA LEU A 55 -0.116 -2.570 3.384 1.00 0.09 C ATOM 851 C LEU A 55 1.020 -1.542 3.368 1.00 0.09 C ATOM 852 O LEU A 55 0.839 -0.407 2.972 1.00 0.10 O ATOM 853 CB LEU A 55 0.159 -3.642 2.311 1.00 0.10 C ATOM 854 CG LEU A 55 -0.625 -4.934 2.604 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.113 -4.627 2.849 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.476 -5.885 1.405 1.00 0.12 C ATOM 0 H LEU A 55 -1.451 -1.463 2.136 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.183 -3.048 4.362 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.120 -3.258 1.330 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.226 -3.861 2.276 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.225 -5.400 3.504 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.647 -5.555 3.054 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.210 -3.956 3.703 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.537 -4.152 1.964 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.027 -6.805 1.600 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.873 -5.407 0.510 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.578 -6.118 1.255 1.00 0.12 H new ATOM 868 N GLU A 56 2.192 -1.936 3.784 1.00 0.09 N ATOM 869 CA GLU A 56 3.358 -1.000 3.786 1.00 0.09 C ATOM 870 C GLU A 56 4.593 -1.798 3.371 1.00 0.09 C ATOM 871 O GLU A 56 4.743 -2.947 3.734 1.00 0.10 O ATOM 872 CB GLU A 56 3.547 -0.415 5.196 1.00 0.09 C ATOM 873 CG GLU A 56 4.422 0.845 5.134 1.00 0.11 C ATOM 874 CD GLU A 56 4.353 1.582 6.475 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.529 0.936 7.495 1.00 1.31 O ATOM 876 OE2 GLU A 56 4.125 2.782 6.459 1.00 1.24 O ATOM 0 H GLU A 56 2.396 -2.875 4.126 1.00 0.09 H new ATOM 0 HA GLU A 56 3.195 -0.174 3.094 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.577 -0.172 5.630 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.010 -1.157 5.846 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.453 0.574 4.909 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.081 1.498 4.330 1.00 0.11 H new ATOM 883 N VAL A 57 5.467 -1.216 2.587 1.00 0.08 N ATOM 884 CA VAL A 57 6.676 -1.967 2.124 1.00 0.08 C ATOM 885 C VAL A 57 7.913 -1.068 2.148 1.00 0.09 C ATOM 886 O VAL A 57 7.876 0.078 1.739 1.00 0.14 O ATOM 887 CB VAL A 57 6.441 -2.445 0.689 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.645 -3.260 0.220 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.183 -3.315 0.632 1.00 0.09 C ATOM 0 H VAL A 57 5.396 -0.256 2.248 1.00 0.08 H new ATOM 0 HA VAL A 57 6.842 -2.813 2.791 1.00 0.08 H new ATOM 0 HB VAL A 57 6.310 -1.580 0.039 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.478 -3.601 -0.802 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.540 -2.639 0.254 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.777 -4.123 0.873 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.020 -3.653 -0.392 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.309 -4.180 1.284 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.323 -2.733 0.963 1.00 0.09 H new ATOM 899 N ASP A 58 9.019 -1.599 2.610 1.00 0.09 N ATOM 900 CA ASP A 58 10.289 -0.813 2.654 1.00 0.09 C ATOM 901 C ASP A 58 11.136 -1.201 1.436 1.00 0.10 C ATOM 902 O ASP A 58 11.646 -2.299 1.346 1.00 0.11 O ATOM 903 CB ASP A 58 11.047 -1.148 3.945 1.00 0.11 C ATOM 904 CG ASP A 58 12.076 -0.053 4.241 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.673 1.001 4.703 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.248 -0.288 4.003 1.00 1.06 O ATOM 0 H ASP A 58 9.095 -2.553 2.962 1.00 0.09 H new ATOM 0 HA ASP A 58 10.078 0.256 2.635 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.347 -1.236 4.776 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.546 -2.112 3.845 1.00 0.11 H new ATOM 911 N VAL A 59 11.264 -0.316 0.488 1.00 0.12 N ATOM 912 CA VAL A 59 12.052 -0.636 -0.741 1.00 0.15 C ATOM 913 C VAL A 59 13.523 -0.892 -0.399 1.00 0.18 C ATOM 914 O VAL A 59 14.306 -1.236 -1.263 1.00 0.27 O ATOM 915 CB VAL A 59 11.957 0.537 -1.717 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.521 0.654 -2.232 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.346 1.832 -0.999 1.00 0.22 C ATOM 0 H VAL A 59 10.857 0.619 0.509 1.00 0.12 H new ATOM 0 HA VAL A 59 11.641 -1.539 -1.193 1.00 0.15 H new ATOM 0 HB VAL A 59 12.633 0.368 -2.555 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.451 1.490 -2.928 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.241 -0.268 -2.742 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.846 0.823 -1.393 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.278 2.668 -1.695 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.669 2.001 -0.161 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.368 1.750 -0.629 1.00 0.22 H new ATOM 927 N ASP A 60 13.914 -0.714 0.839 1.00 0.16 N ATOM 928 CA ASP A 60 15.350 -0.930 1.221 1.00 0.18 C ATOM 929 C ASP A 60 15.504 -2.171 2.109 1.00 0.17 C ATOM 930 O ASP A 60 16.440 -2.930 1.962 1.00 0.18 O ATOM 931 CB ASP A 60 15.845 0.292 1.990 1.00 0.21 C ATOM 932 CG ASP A 60 15.854 1.507 1.062 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.801 1.645 0.306 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.912 2.280 1.124 1.00 1.11 O ATOM 0 H ASP A 60 13.303 -0.428 1.604 1.00 0.16 H new ATOM 0 HA ASP A 60 15.933 -1.078 0.312 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.200 0.481 2.848 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.847 0.110 2.378 1.00 0.21 H new ATOM 939 N ASP A 61 14.609 -2.378 3.039 1.00 0.17 N ATOM 940 CA ASP A 61 14.725 -3.564 3.945 1.00 0.17 C ATOM 941 C ASP A 61 13.919 -4.735 3.364 1.00 0.16 C ATOM 942 O ASP A 61 14.048 -5.861 3.803 1.00 0.18 O ATOM 943 CB ASP A 61 14.210 -3.172 5.343 1.00 0.19 C ATOM 944 CG ASP A 61 13.830 -4.421 6.149 1.00 0.22 C ATOM 945 OD1 ASP A 61 14.728 -5.056 6.678 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.649 -4.719 6.222 1.00 1.12 O ATOM 0 H ASP A 61 13.802 -1.779 3.212 1.00 0.17 H new ATOM 0 HA ASP A 61 15.765 -3.880 4.029 1.00 0.17 H new ATOM 0 HB2 ASP A 61 14.977 -2.609 5.874 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.344 -2.517 5.247 1.00 0.19 H new ATOM 951 N ALA A 62 13.109 -4.480 2.366 1.00 0.16 N ATOM 952 CA ALA A 62 12.305 -5.572 1.725 1.00 0.16 C ATOM 953 C ALA A 62 12.605 -5.570 0.226 1.00 0.16 C ATOM 954 O ALA A 62 11.716 -5.548 -0.602 1.00 0.15 O ATOM 955 CB ALA A 62 10.812 -5.321 1.948 1.00 0.17 C ATOM 0 H ALA A 62 12.968 -3.554 1.963 1.00 0.16 H new ATOM 0 HA ALA A 62 12.567 -6.535 2.164 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.235 -6.118 1.479 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.602 -5.301 3.017 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.534 -4.364 1.506 1.00 0.17 H new ATOM 961 N GLN A 63 13.863 -5.580 -0.120 1.00 0.20 N ATOM 962 CA GLN A 63 14.255 -5.564 -1.559 1.00 0.22 C ATOM 963 C GLN A 63 13.597 -6.733 -2.298 1.00 0.20 C ATOM 964 O GLN A 63 13.522 -6.744 -3.510 1.00 0.20 O ATOM 965 CB GLN A 63 15.779 -5.685 -1.672 1.00 0.29 C ATOM 966 CG GLN A 63 16.449 -4.740 -0.671 1.00 0.90 C ATOM 967 CD GLN A 63 17.965 -4.768 -0.879 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.448 -4.484 -1.956 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.740 -5.103 0.116 1.00 2.22 N ATOM 0 H GLN A 63 14.643 -5.599 0.537 1.00 0.20 H new ATOM 0 HA GLN A 63 13.924 -4.627 -2.008 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.087 -6.713 -1.478 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.098 -5.442 -2.685 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.072 -3.726 -0.803 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.205 -5.040 0.348 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.334 -5.342 1.021 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.752 -5.126 -0.011 1.00 2.22 H new ATOM 978 N ASP A 64 13.125 -7.719 -1.587 1.00 0.19 N ATOM 979 CA ASP A 64 12.483 -8.878 -2.266 1.00 0.20 C ATOM 980 C ASP A 64 11.140 -8.444 -2.851 1.00 0.17 C ATOM 981 O ASP A 64 10.789 -8.805 -3.957 1.00 0.19 O ATOM 982 CB ASP A 64 12.262 -10.006 -1.252 1.00 0.22 C ATOM 983 CG ASP A 64 11.718 -9.423 0.054 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.450 -8.699 0.708 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.578 -9.712 0.380 1.00 1.11 O ATOM 0 H ASP A 64 13.156 -7.772 -0.569 1.00 0.19 H new ATOM 0 HA ASP A 64 13.129 -9.235 -3.068 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.562 -10.738 -1.654 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.199 -10.530 -1.066 1.00 0.22 H new ATOM 990 N VAL A 65 10.387 -7.669 -2.123 1.00 0.15 N ATOM 991 CA VAL A 65 9.073 -7.213 -2.648 1.00 0.16 C ATOM 992 C VAL A 65 9.314 -6.165 -3.737 1.00 0.16 C ATOM 993 O VAL A 65 8.726 -6.213 -4.798 1.00 0.19 O ATOM 994 CB VAL A 65 8.254 -6.604 -1.509 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.806 -6.415 -1.965 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.292 -7.544 -0.298 1.00 0.18 C ATOM 0 H VAL A 65 10.624 -7.333 -1.190 1.00 0.15 H new ATOM 0 HA VAL A 65 8.524 -8.056 -3.068 1.00 0.16 H new ATOM 0 HB VAL A 65 8.675 -5.637 -1.233 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.223 -5.981 -1.153 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.780 -5.748 -2.827 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.382 -7.381 -2.240 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.709 -7.113 0.516 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.870 -8.510 -0.574 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.324 -7.678 0.026 1.00 0.18 H new ATOM 1006 N ALA A 66 10.186 -5.226 -3.484 1.00 0.16 N ATOM 1007 CA ALA A 66 10.477 -4.185 -4.510 1.00 0.18 C ATOM 1008 C ALA A 66 11.101 -4.853 -5.734 1.00 0.19 C ATOM 1009 O ALA A 66 10.848 -4.474 -6.860 1.00 0.20 O ATOM 1010 CB ALA A 66 11.457 -3.160 -3.935 1.00 0.22 C ATOM 0 H ALA A 66 10.708 -5.135 -2.613 1.00 0.16 H new ATOM 0 HA ALA A 66 9.553 -3.681 -4.795 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.670 -2.399 -4.686 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.017 -2.690 -3.056 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.383 -3.661 -3.653 1.00 0.22 H new ATOM 1016 N SER A 67 11.918 -5.851 -5.521 1.00 0.21 N ATOM 1017 CA SER A 67 12.560 -6.548 -6.669 1.00 0.26 C ATOM 1018 C SER A 67 11.482 -7.229 -7.517 1.00 0.26 C ATOM 1019 O SER A 67 11.435 -7.075 -8.721 1.00 0.29 O ATOM 1020 CB SER A 67 13.537 -7.601 -6.145 1.00 0.31 C ATOM 1021 OG SER A 67 14.688 -6.953 -5.620 1.00 1.29 O ATOM 0 H SER A 67 12.167 -6.212 -4.600 1.00 0.21 H new ATOM 0 HA SER A 67 13.100 -5.824 -7.279 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.060 -8.204 -5.372 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.822 -8.281 -6.948 1.00 0.31 H new ATOM 0 HG SER A 67 14.445 -6.463 -4.807 1.00 1.29 H new ATOM 1027 N GLU A 68 10.617 -7.979 -6.893 1.00 0.26 N ATOM 1028 CA GLU A 68 9.540 -8.671 -7.655 1.00 0.30 C ATOM 1029 C GLU A 68 8.610 -7.637 -8.295 1.00 0.31 C ATOM 1030 O GLU A 68 8.096 -7.837 -9.377 1.00 0.36 O ATOM 1031 CB GLU A 68 8.737 -9.559 -6.700 1.00 0.31 C ATOM 1032 CG GLU A 68 7.820 -10.482 -7.504 1.00 0.39 C ATOM 1033 CD GLU A 68 6.852 -11.190 -6.554 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.386 -10.549 -5.627 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.594 -12.364 -6.770 1.00 2.19 O ATOM 0 H GLU A 68 10.609 -8.143 -5.886 1.00 0.26 H new ATOM 0 HA GLU A 68 9.987 -9.283 -8.439 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.413 -10.150 -6.082 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.146 -8.941 -6.024 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.264 -9.906 -8.244 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.413 -11.216 -8.050 1.00 0.39 H new ATOM 1042 N ALA A 69 8.383 -6.532 -7.631 1.00 0.29 N ATOM 1043 CA ALA A 69 7.479 -5.485 -8.199 1.00 0.31 C ATOM 1044 C ALA A 69 8.284 -4.527 -9.084 1.00 0.29 C ATOM 1045 O ALA A 69 7.744 -3.614 -9.676 1.00 0.33 O ATOM 1046 CB ALA A 69 6.829 -4.704 -7.051 1.00 0.31 C ATOM 0 H ALA A 69 8.784 -6.309 -6.720 1.00 0.29 H new ATOM 0 HA ALA A 69 6.706 -5.961 -8.803 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.169 -3.939 -7.459 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.252 -5.387 -6.428 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.604 -4.230 -6.449 1.00 0.31 H new ATOM 1052 N GLU A 70 9.568 -4.733 -9.185 1.00 0.27 N ATOM 1053 CA GLU A 70 10.406 -3.841 -10.037 1.00 0.29 C ATOM 1054 C GLU A 70 10.085 -2.369 -9.740 1.00 0.25 C ATOM 1055 O GLU A 70 9.841 -1.585 -10.635 1.00 0.26 O ATOM 1056 CB GLU A 70 10.118 -4.137 -11.511 1.00 0.38 C ATOM 1057 CG GLU A 70 10.571 -5.562 -11.847 1.00 1.18 C ATOM 1058 CD GLU A 70 9.911 -6.019 -13.151 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.260 -5.201 -13.779 1.00 2.34 O ATOM 1060 OE2 GLU A 70 10.069 -7.179 -13.497 1.00 2.06 O ATOM 0 H GLU A 70 10.075 -5.482 -8.713 1.00 0.27 H new ATOM 0 HA GLU A 70 11.458 -4.024 -9.820 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.053 -4.026 -11.713 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.639 -3.420 -12.145 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.656 -5.595 -11.946 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.304 -6.240 -11.036 1.00 1.18 H new ATOM 1067 N VAL A 71 10.099 -1.989 -8.491 1.00 0.22 N ATOM 1068 CA VAL A 71 9.810 -0.568 -8.133 1.00 0.19 C ATOM 1069 C VAL A 71 11.074 0.271 -8.354 1.00 0.23 C ATOM 1070 O VAL A 71 12.164 -0.141 -8.013 1.00 0.28 O ATOM 1071 CB VAL A 71 9.391 -0.493 -6.664 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.996 0.943 -6.324 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.195 -1.419 -6.422 1.00 0.19 C ATOM 0 H VAL A 71 10.298 -2.602 -7.700 1.00 0.22 H new ATOM 0 HA VAL A 71 9.004 -0.183 -8.758 1.00 0.19 H new ATOM 0 HB VAL A 71 10.224 -0.805 -6.033 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.697 1.000 -5.277 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.845 1.604 -6.495 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.164 1.251 -6.957 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.898 -1.364 -5.375 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.361 -1.109 -7.052 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.473 -2.444 -6.667 1.00 0.19 H new ATOM 1083 N LYS A 72 10.936 1.442 -8.933 1.00 0.24 N ATOM 1084 CA LYS A 72 12.131 2.315 -9.191 1.00 0.29 C ATOM 1085 C LYS A 72 11.845 3.744 -8.718 1.00 0.26 C ATOM 1086 O LYS A 72 12.656 4.634 -8.882 1.00 0.27 O ATOM 1087 CB LYS A 72 12.429 2.331 -10.692 1.00 0.35 C ATOM 1088 CG LYS A 72 12.482 0.895 -11.219 1.00 0.43 C ATOM 1089 CD LYS A 72 12.748 0.914 -12.725 1.00 1.16 C ATOM 1090 CE LYS A 72 12.602 -0.501 -13.287 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.580 -1.405 -12.619 1.00 2.40 N ATOM 0 H LYS A 72 10.045 1.833 -9.239 1.00 0.24 H new ATOM 0 HA LYS A 72 12.989 1.921 -8.646 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.660 2.895 -11.220 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.378 2.833 -10.880 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.266 0.337 -10.707 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.541 0.385 -11.011 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.048 1.587 -13.220 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.750 1.294 -12.923 1.00 1.16 H new ATOM 0 HE2 LYS A 72 11.587 -0.864 -13.127 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.772 -0.495 -14.364 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.676 -2.281 -13.171 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.504 -0.932 -12.557 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 13.243 -1.634 -11.662 1.00 2.40 H new ATOM 1105 N ALA A 73 10.703 3.968 -8.128 1.00 0.22 N ATOM 1106 CA ALA A 73 10.363 5.342 -7.637 1.00 0.20 C ATOM 1107 C ALA A 73 9.418 5.209 -6.443 1.00 0.18 C ATOM 1108 O ALA A 73 8.573 4.350 -6.426 1.00 0.16 O ATOM 1109 CB ALA A 73 9.667 6.134 -8.758 1.00 0.21 C ATOM 0 H ALA A 73 9.987 3.261 -7.963 1.00 0.22 H new ATOM 0 HA ALA A 73 11.270 5.869 -7.341 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.421 7.133 -8.399 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.334 6.211 -9.617 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.753 5.619 -9.054 1.00 0.21 H new ATOM 1115 N THR A 74 9.546 6.057 -5.447 1.00 0.18 N ATOM 1116 CA THR A 74 8.633 5.977 -4.255 1.00 0.17 C ATOM 1117 C THR A 74 7.968 7.350 -4.045 1.00 0.17 C ATOM 1118 O THR A 74 8.574 8.359 -4.350 1.00 0.19 O ATOM 1119 CB THR A 74 9.449 5.631 -2.991 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.605 6.449 -2.945 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.890 4.153 -2.985 1.00 0.19 C ATOM 0 H THR A 74 10.242 6.801 -5.407 1.00 0.18 H new ATOM 0 HA THR A 74 7.881 5.207 -4.428 1.00 0.17 H new ATOM 0 HB THR A 74 8.813 5.805 -2.123 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.126 6.234 -2.143 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.462 3.948 -2.080 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.010 3.511 -3.012 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.511 3.955 -3.859 1.00 0.19 H new ATOM 1129 N PRO A 75 6.761 7.379 -3.502 1.00 0.17 N ATOM 1130 CA PRO A 75 5.978 6.179 -3.111 1.00 0.16 C ATOM 1131 C PRO A 75 5.324 5.550 -4.360 1.00 0.14 C ATOM 1132 O PRO A 75 4.885 6.252 -5.247 1.00 0.14 O ATOM 1133 CB PRO A 75 4.888 6.733 -2.164 1.00 0.17 C ATOM 1134 CG PRO A 75 4.888 8.282 -2.315 1.00 0.20 C ATOM 1135 CD PRO A 75 6.097 8.660 -3.199 1.00 0.19 C ATOM 0 HA PRO A 75 6.589 5.407 -2.643 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.911 6.322 -2.420 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.094 6.447 -1.132 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.958 8.623 -2.770 1.00 0.20 H new ATOM 0 HG3 PRO A 75 4.961 8.763 -1.339 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.777 9.165 -4.111 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.770 9.340 -2.678 1.00 0.19 H new ATOM 1143 N THR A 76 5.223 4.238 -4.415 1.00 0.13 N ATOM 1144 CA THR A 76 4.557 3.571 -5.590 1.00 0.12 C ATOM 1145 C THR A 76 3.292 2.895 -5.084 1.00 0.12 C ATOM 1146 O THR A 76 3.349 1.937 -4.339 1.00 0.18 O ATOM 1147 CB THR A 76 5.473 2.498 -6.215 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.806 2.959 -6.210 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.039 2.215 -7.659 1.00 0.13 C ATOM 0 H THR A 76 5.572 3.601 -3.699 1.00 0.13 H new ATOM 0 HA THR A 76 4.338 4.320 -6.351 1.00 0.12 H new ATOM 0 HB THR A 76 5.398 1.580 -5.632 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.820 3.920 -6.400 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.691 1.457 -8.093 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.010 1.856 -7.666 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.108 3.131 -8.246 1.00 0.13 H new ATOM 1157 N PHE A 77 2.146 3.374 -5.471 1.00 0.09 N ATOM 1158 CA PHE A 77 0.895 2.732 -4.987 1.00 0.09 C ATOM 1159 C PHE A 77 0.549 1.564 -5.893 1.00 0.09 C ATOM 1160 O PHE A 77 0.330 1.721 -7.078 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.248 3.741 -4.978 1.00 0.10 C ATOM 1162 CG PHE A 77 0.032 4.760 -3.911 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.172 4.421 -2.562 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.503 6.041 -4.256 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.095 5.363 -1.553 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.769 6.986 -3.247 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.565 6.649 -1.895 1.00 0.12 C ATOM 0 H PHE A 77 2.021 4.172 -6.094 1.00 0.09 H new ATOM 0 HA PHE A 77 1.046 2.372 -3.969 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.336 4.224 -5.951 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.196 3.239 -4.785 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.534 3.437 -2.301 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.660 6.298 -5.293 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.060 5.102 -0.516 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.130 7.970 -3.510 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.768 7.374 -1.121 1.00 0.12 H new ATOM 1177 N GLN A 78 0.503 0.388 -5.332 1.00 0.07 N ATOM 1178 CA GLN A 78 0.173 -0.830 -6.122 1.00 0.07 C ATOM 1179 C GLN A 78 -1.100 -1.430 -5.541 1.00 0.06 C ATOM 1180 O GLN A 78 -1.239 -1.566 -4.340 1.00 0.07 O ATOM 1181 CB GLN A 78 1.329 -1.826 -5.999 1.00 0.08 C ATOM 1182 CG GLN A 78 2.650 -1.109 -6.287 1.00 0.12 C ATOM 1183 CD GLN A 78 3.753 -2.138 -6.546 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.840 -1.789 -6.961 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.518 -3.400 -6.316 1.00 1.03 N ATOM 0 H GLN A 78 0.683 0.217 -4.343 1.00 0.07 H new ATOM 0 HA GLN A 78 0.024 -0.590 -7.175 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.347 -2.257 -4.998 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.190 -2.650 -6.699 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.539 -0.456 -7.153 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.922 -0.475 -5.443 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.605 -3.694 -5.968 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.247 -4.093 -6.485 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.043 -1.763 -6.379 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.335 -2.326 -5.880 1.00 0.07 C ATOM 1196 C PHE A 79 -3.411 -3.818 -6.169 1.00 0.07 C ATOM 1197 O PHE A 79 -3.210 -4.262 -7.282 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.491 -1.617 -6.585 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.485 -0.163 -6.187 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.498 0.689 -6.699 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.450 0.334 -5.298 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.470 2.047 -6.330 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.428 1.689 -4.919 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.438 2.547 -5.435 1.00 0.11 C ATOM 0 H PHE A 79 -1.976 -1.670 -7.393 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.398 -2.173 -4.803 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.389 -1.713 -7.666 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.440 -2.079 -6.312 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.755 0.302 -7.380 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.210 -0.324 -4.904 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.711 2.703 -6.730 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.170 2.070 -4.233 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.420 3.587 -5.145 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.719 -4.590 -5.161 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.840 -6.066 -5.329 1.00 0.08 C ATOM 1216 C PHE A 80 -5.224 -6.483 -4.849 1.00 0.11 C ATOM 1217 O PHE A 80 -5.839 -5.816 -4.038 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.775 -6.774 -4.486 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.423 -6.639 -5.147 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.602 -5.538 -4.843 1.00 0.09 C ATOM 1221 CD2 PHE A 80 -0.982 -7.615 -6.061 1.00 0.14 C ATOM 1222 CE1 PHE A 80 0.660 -5.410 -5.452 1.00 0.11 C ATOM 1223 CE2 PHE A 80 0.281 -7.488 -6.671 1.00 0.17 C ATOM 1224 CZ PHE A 80 1.103 -6.385 -6.365 1.00 0.14 C ATOM 0 H PHE A 80 -3.894 -4.254 -4.214 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.699 -6.338 -6.375 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.745 -6.343 -3.485 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.030 -7.828 -4.372 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -0.941 -4.790 -4.141 1.00 0.09 H new ATOM 0 HD2 PHE A 80 -1.612 -8.461 -6.294 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.289 -4.563 -5.219 1.00 0.11 H new ATOM 0 HE2 PHE A 80 0.619 -8.236 -7.373 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.072 -6.288 -6.831 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.725 -7.573 -5.342 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.071 -8.026 -4.911 1.00 0.14 C ATOM 1236 C LYS A 81 -7.125 -9.536 -5.119 1.00 0.14 C ATOM 1237 O LYS A 81 -6.885 -10.023 -6.202 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.133 -7.313 -5.764 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.489 -7.303 -5.044 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.443 -6.346 -5.771 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.714 -6.158 -4.942 1.00 0.72 C ATOM 1242 NZ LYS A 81 -11.392 -5.404 -3.698 1.00 1.48 N ATOM 0 H LYS A 81 -5.262 -8.172 -6.026 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.264 -7.790 -3.864 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.816 -6.290 -5.968 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.230 -7.815 -6.727 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.910 -8.308 -5.023 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.361 -6.990 -4.008 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -9.956 -5.384 -5.932 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.694 -6.744 -6.754 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.463 -5.619 -5.523 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.143 -7.128 -4.691 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -12.008 -5.729 -2.926 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -10.398 -5.568 -3.440 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -11.545 -4.388 -3.859 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.397 -10.282 -4.085 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.425 -11.762 -4.229 1.00 0.20 C ATOM 1258 C LYS A 82 -6.084 -12.242 -4.795 1.00 0.20 C ATOM 1259 O LYS A 82 -6.023 -13.175 -5.571 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.569 -12.177 -5.167 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.895 -12.189 -4.394 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.084 -12.373 -5.365 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.568 -11.018 -5.906 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.591 -10.490 -6.900 1.00 1.67 N ATOM 0 H LYS A 82 -7.601 -9.931 -3.149 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.590 -12.217 -3.253 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.633 -11.485 -6.006 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.371 -13.165 -5.583 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.888 -12.995 -3.661 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.010 -11.256 -3.842 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.785 -13.014 -6.194 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.903 -12.877 -4.852 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.547 -11.131 -6.371 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -11.684 -10.310 -5.086 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -11.086 -9.882 -7.584 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.861 -9.936 -6.409 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -10.144 -11.283 -7.402 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.008 -11.618 -4.403 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.672 -12.044 -4.905 1.00 0.21 C ATOM 1280 C GLY A 83 -3.493 -11.617 -6.363 1.00 0.19 C ATOM 1281 O GLY A 83 -2.550 -12.021 -7.016 1.00 0.22 O ATOM 0 H GLY A 83 -4.996 -10.830 -3.755 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.887 -11.603 -4.291 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.572 -13.126 -4.821 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.393 -10.816 -6.887 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.274 -10.371 -8.320 1.00 0.17 C ATOM 1287 C GLN A 84 -4.054 -8.854 -8.406 1.00 0.16 C ATOM 1288 O GLN A 84 -4.631 -8.085 -7.667 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.567 -10.731 -9.064 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.568 -12.224 -9.403 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.639 -12.464 -10.593 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.575 -13.555 -11.126 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.911 -11.474 -11.034 1.00 2.08 N ATOM 0 H GLN A 84 -5.204 -10.450 -6.388 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.419 -10.874 -8.772 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.432 -10.487 -8.448 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.649 -10.141 -9.977 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.236 -12.806 -8.543 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.579 -12.555 -9.641 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -3.967 -10.560 -10.585 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.286 -11.615 -11.828 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.230 -8.425 -9.330 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.973 -6.964 -9.499 1.00 0.17 C ATOM 1304 C LYS A 85 -4.045 -6.374 -10.417 1.00 0.16 C ATOM 1305 O LYS A 85 -4.483 -7.014 -11.353 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.593 -6.754 -10.128 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.390 -5.264 -10.443 1.00 0.25 C ATOM 1308 CD LYS A 85 0.103 -4.960 -10.608 1.00 0.30 C ATOM 1309 CE LYS A 85 0.648 -5.706 -11.827 1.00 0.89 C ATOM 1310 NZ LYS A 85 2.027 -5.227 -12.129 1.00 1.70 N ATOM 0 H LYS A 85 -2.722 -9.028 -9.977 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.004 -6.471 -8.527 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.816 -7.101 -9.447 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.505 -7.344 -11.040 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.926 -5.001 -11.355 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.807 -4.655 -9.641 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.255 -3.887 -10.728 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.647 -5.261 -9.712 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.658 -6.779 -11.635 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.002 -5.542 -12.687 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.397 -5.735 -12.958 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 2.004 -4.207 -12.330 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.643 -5.405 -11.310 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.483 -5.167 -10.149 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.545 -4.534 -10.998 1.00 0.16 C ATOM 1326 C VAL A 86 -5.113 -3.129 -11.437 1.00 0.18 C ATOM 1327 O VAL A 86 -5.589 -2.613 -12.429 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.838 -4.443 -10.186 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.459 -5.836 -10.056 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.523 -3.900 -8.790 1.00 0.17 C ATOM 0 H VAL A 86 -4.150 -4.590 -9.376 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.704 -5.142 -11.889 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.537 -3.777 -10.691 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.380 -5.771 -9.477 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.681 -6.230 -11.048 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.759 -6.501 -9.550 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.443 -3.834 -8.209 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.824 -4.569 -8.288 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.077 -2.909 -8.877 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.222 -2.497 -10.716 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.789 -1.125 -11.124 1.00 0.18 C ATOM 1342 C GLY A 87 -2.628 -0.648 -10.246 1.00 0.10 C ATOM 1343 O GLY A 87 -2.242 -1.301 -9.297 1.00 0.08 O ATOM 0 H GLY A 87 -3.780 -2.865 -9.873 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.484 -1.129 -12.170 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.626 -0.432 -11.039 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.070 0.495 -10.559 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.934 1.024 -9.749 1.00 0.10 C ATOM 1349 C GLU A 88 -0.577 2.437 -10.210 1.00 0.10 C ATOM 1350 O GLU A 88 -0.831 2.816 -11.337 1.00 0.11 O ATOM 1351 CB GLU A 88 0.286 0.119 -9.922 1.00 0.17 C ATOM 1352 CG GLU A 88 0.603 -0.035 -11.410 1.00 0.25 C ATOM 1353 CD GLU A 88 1.759 -1.022 -11.582 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.416 -1.312 -10.596 1.00 1.94 O ATOM 1355 OE2 GLU A 88 1.967 -1.472 -12.698 1.00 2.04 O ATOM 0 H GLU A 88 -2.354 1.084 -11.342 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.230 1.048 -8.700 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.143 0.543 -9.399 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.093 -0.858 -9.478 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.277 -0.391 -11.946 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.868 0.931 -11.839 1.00 0.25 H new ATOM 1362 N PHE A 89 0.025 3.218 -9.352 1.00 0.09 N ATOM 1363 CA PHE A 89 0.412 4.600 -9.753 1.00 0.09 C ATOM 1364 C PHE A 89 1.334 5.227 -8.700 1.00 0.09 C ATOM 1365 O PHE A 89 1.068 5.178 -7.520 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.846 5.466 -9.961 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.414 5.946 -8.638 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.780 6.987 -7.927 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.592 5.364 -8.125 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.320 7.439 -6.709 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.129 5.819 -6.905 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.495 6.856 -6.197 1.00 0.11 C ATOM 0 H PHE A 89 0.264 2.959 -8.395 1.00 0.09 H new ATOM 0 HA PHE A 89 0.957 4.550 -10.696 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.599 6.325 -10.585 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.602 4.890 -10.495 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.120 7.437 -8.318 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.082 4.569 -8.668 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.832 8.235 -6.166 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.030 5.371 -6.512 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.909 7.204 -5.262 1.00 0.11 H new ATOM 1382 N SER A 90 2.418 5.826 -9.128 1.00 0.13 N ATOM 1383 CA SER A 90 3.366 6.476 -8.165 1.00 0.14 C ATOM 1384 C SER A 90 3.166 7.992 -8.221 1.00 0.14 C ATOM 1385 O SER A 90 2.188 8.480 -8.753 1.00 0.17 O ATOM 1386 CB SER A 90 4.801 6.142 -8.568 1.00 0.15 C ATOM 1387 OG SER A 90 5.212 7.016 -9.610 1.00 0.16 O ATOM 0 H SER A 90 2.690 5.894 -10.109 1.00 0.13 H new ATOM 0 HA SER A 90 3.177 6.113 -7.155 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.465 6.244 -7.710 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.866 5.106 -8.900 1.00 0.15 H new ATOM 0 HG SER A 90 6.080 7.411 -9.383 1.00 0.16 H new ATOM 1393 N GLY A 91 4.083 8.742 -7.676 1.00 0.12 N ATOM 1394 CA GLY A 91 3.944 10.231 -7.695 1.00 0.13 C ATOM 1395 C GLY A 91 3.137 10.675 -6.477 1.00 0.13 C ATOM 1396 O GLY A 91 2.030 10.224 -6.257 1.00 0.13 O ATOM 0 H GLY A 91 4.924 8.391 -7.217 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.928 10.700 -7.685 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.448 10.550 -8.611 1.00 0.13 H new ATOM 1400 N ALA A 92 3.684 11.544 -5.673 1.00 0.15 N ATOM 1401 CA ALA A 92 2.944 11.996 -4.459 1.00 0.17 C ATOM 1402 C ALA A 92 1.550 12.513 -4.835 1.00 0.15 C ATOM 1403 O ALA A 92 1.378 13.666 -5.178 1.00 0.16 O ATOM 1404 CB ALA A 92 3.734 13.118 -3.762 1.00 0.20 C ATOM 0 H ALA A 92 4.607 11.960 -5.802 1.00 0.15 H new ATOM 0 HA ALA A 92 2.832 11.147 -3.785 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.193 13.448 -2.875 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.716 12.745 -3.470 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.854 13.958 -4.447 1.00 0.20 H new ATOM 1410 N ASN A 93 0.549 11.676 -4.739 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.843 12.123 -5.052 1.00 0.13 C ATOM 1412 C ASN A 93 -1.798 11.441 -4.065 1.00 0.12 C ATOM 1413 O ASN A 93 -2.455 10.469 -4.383 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.207 11.744 -6.493 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.360 12.627 -6.974 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.347 12.787 -6.283 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.277 13.213 -8.135 1.00 1.15 N ATOM 0 H ASN A 93 0.635 10.700 -4.457 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.921 13.206 -4.957 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.342 11.870 -7.144 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.493 10.693 -6.543 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.040 13.805 -8.463 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.449 13.079 -8.716 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.859 11.939 -2.862 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.745 11.325 -1.830 1.00 0.20 C ATOM 1426 C LYS A 94 -4.213 11.457 -2.244 1.00 0.18 C ATOM 1427 O LYS A 94 -5.032 10.620 -1.923 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.522 12.028 -0.480 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.354 13.555 -0.689 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.857 13.929 -0.762 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.293 14.139 0.649 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.604 15.522 1.108 1.00 1.19 N ATOM 0 H LYS A 94 -1.330 12.751 -2.546 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.501 10.267 -1.736 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.367 11.836 0.182 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.636 11.621 0.007 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.856 13.860 -1.607 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.830 14.095 0.129 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.302 13.140 -1.269 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.730 14.837 -1.351 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.724 13.411 1.336 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.785 13.978 0.649 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.276 16.001 1.387 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -1.056 16.051 0.335 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -1.249 15.481 1.923 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.559 12.498 -2.945 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.974 12.669 -3.362 1.00 0.20 C ATOM 1448 C GLU A 95 -6.353 11.566 -4.352 1.00 0.17 C ATOM 1449 O GLU A 95 -7.497 11.166 -4.445 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.137 14.033 -4.030 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.984 15.138 -2.982 1.00 0.33 C ATOM 1452 CD GLU A 95 -5.917 16.497 -3.680 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.854 16.823 -4.390 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -4.930 17.189 -3.493 1.00 1.86 O ATOM 0 H GLU A 95 -3.923 13.237 -3.246 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.624 12.607 -2.489 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.391 14.156 -4.815 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.115 14.102 -4.506 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.824 15.115 -2.288 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.081 14.974 -2.394 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.400 11.071 -5.090 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.696 9.995 -6.073 1.00 0.14 C ATOM 1463 C LYS A 96 -6.052 8.712 -5.324 1.00 0.12 C ATOM 1464 O LYS A 96 -6.882 7.948 -5.757 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.471 9.760 -6.967 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.893 9.058 -8.259 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.648 8.715 -9.083 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.056 8.319 -10.505 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.837 8.213 -11.356 1.00 2.05 N ATOM 0 H LYS A 96 -4.425 11.367 -5.054 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.537 10.292 -6.699 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.993 10.711 -7.200 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.735 9.154 -6.438 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.450 8.150 -8.027 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.558 9.702 -8.835 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.975 9.572 -9.114 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.103 7.898 -8.611 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.588 7.368 -10.491 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.739 9.060 -10.919 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.091 8.384 -12.350 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.138 8.920 -11.051 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.430 7.261 -11.262 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.437 8.470 -4.197 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.767 7.233 -3.433 1.00 0.11 C ATOM 1485 C LEU A 97 -7.282 7.146 -3.267 1.00 0.11 C ATOM 1486 O LEU A 97 -7.869 6.084 -3.328 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.112 7.289 -2.044 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.637 6.883 -2.129 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.971 7.197 -0.784 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.516 5.372 -2.450 1.00 0.13 C ATOM 0 H LEU A 97 -4.727 9.069 -3.776 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.396 6.361 -3.972 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.195 8.297 -1.637 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.639 6.624 -1.360 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.142 7.438 -2.926 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.919 6.915 -0.824 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.053 8.264 -0.578 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.467 6.636 0.008 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.463 5.095 -2.508 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -4.001 4.793 -1.664 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.999 5.163 -3.405 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.916 8.262 -3.053 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.397 8.252 -2.879 1.00 0.14 C ATOM 1504 C GLU A 98 -10.058 7.854 -4.199 1.00 0.13 C ATOM 1505 O GLU A 98 -10.833 6.920 -4.263 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.873 9.649 -2.467 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.383 9.628 -2.190 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.157 9.681 -3.511 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.263 10.760 -4.070 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.630 8.642 -3.941 1.00 2.15 O ATOM 0 H GLU A 98 -7.476 9.180 -2.991 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.670 7.535 -2.104 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.336 9.977 -1.577 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.650 10.366 -3.257 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.648 8.725 -1.639 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.658 10.476 -1.563 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.763 8.566 -5.250 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.374 8.251 -6.571 1.00 0.14 C ATOM 1519 C ALA A 99 -10.022 6.824 -6.998 1.00 0.12 C ATOM 1520 O ALA A 99 -10.854 6.102 -7.499 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.850 9.237 -7.616 1.00 0.15 C ATOM 0 H ALA A 99 -9.120 9.358 -5.251 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.458 8.335 -6.488 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.295 9.010 -8.585 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.116 10.253 -7.323 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.766 9.152 -7.685 1.00 0.15 H new ATOM 1527 N THR A 100 -8.794 6.415 -6.817 1.00 0.11 N ATOM 1528 CA THR A 100 -8.388 5.040 -7.234 1.00 0.11 C ATOM 1529 C THR A 100 -9.120 3.992 -6.394 1.00 0.10 C ATOM 1530 O THR A 100 -9.645 3.028 -6.913 1.00 0.11 O ATOM 1531 CB THR A 100 -6.876 4.874 -7.049 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.205 5.966 -7.661 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.414 3.566 -7.696 1.00 0.12 C ATOM 0 H THR A 100 -8.052 6.975 -6.397 1.00 0.11 H new ATOM 0 HA THR A 100 -8.649 4.899 -8.283 1.00 0.11 H new ATOM 0 HB THR A 100 -6.644 4.849 -5.984 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.242 5.786 -7.685 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.338 3.454 -7.561 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.928 2.727 -7.227 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.646 3.585 -8.761 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.163 4.169 -5.104 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.869 3.173 -4.247 1.00 0.11 C ATOM 1543 C ILE A 101 -11.346 3.139 -4.650 1.00 0.13 C ATOM 1544 O ILE A 101 -11.906 2.089 -4.890 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.725 3.572 -2.765 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.284 3.270 -2.295 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.725 2.774 -1.915 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.952 4.051 -1.014 1.00 0.18 C ATOM 0 H ILE A 101 -8.743 4.954 -4.607 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.434 2.183 -4.382 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.930 4.636 -2.651 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.173 2.201 -2.114 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.577 3.535 -3.081 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.621 3.058 -0.868 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.740 2.989 -2.250 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.525 1.708 -2.023 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.933 3.822 -0.702 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.041 5.120 -1.206 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.646 3.765 -0.223 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.977 4.276 -4.734 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.414 4.302 -5.127 1.00 0.17 C ATOM 1562 C ASN A 102 -13.565 3.732 -6.540 1.00 0.18 C ATOM 1563 O ASN A 102 -14.643 3.358 -6.957 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.919 5.747 -5.099 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.448 5.758 -5.168 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.047 4.898 -5.783 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.109 6.704 -4.558 1.00 1.03 N ATOM 0 H ASN A 102 -11.561 5.188 -4.548 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.997 3.699 -4.430 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.582 6.243 -4.189 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.503 6.305 -5.938 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.128 6.721 -4.598 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.606 7.426 -4.042 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.493 3.671 -7.283 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.569 3.133 -8.673 1.00 0.18 C ATOM 1576 C GLU A 103 -12.625 1.603 -8.650 1.00 0.19 C ATOM 1577 O GLU A 103 -13.553 0.995 -9.148 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.325 3.576 -9.456 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.597 3.482 -10.961 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.562 4.595 -11.377 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.237 5.749 -11.153 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.609 4.274 -11.915 1.00 2.02 O ATOM 0 H GLU A 103 -11.564 3.972 -6.987 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.471 3.516 -9.150 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.061 4.599 -9.188 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.475 2.948 -9.191 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.663 3.570 -11.516 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.022 2.508 -11.204 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.619 0.977 -8.099 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.577 -0.515 -8.063 1.00 0.19 C ATOM 1591 C LEU A 104 -12.226 -1.037 -6.777 1.00 0.19 C ATOM 1592 O LEU A 104 -11.997 -2.160 -6.371 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.112 -0.968 -8.123 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.444 -0.432 -9.404 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -7.922 -0.424 -9.225 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -9.802 -1.325 -10.601 1.00 0.35 C ATOM 0 H LEU A 104 -10.818 1.439 -7.669 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.129 -0.914 -8.914 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.575 -0.607 -7.245 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.059 -2.057 -8.104 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.802 0.581 -9.589 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.451 -0.045 -10.132 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.658 0.217 -8.384 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.573 -1.438 -9.032 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.324 -0.936 -11.500 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.453 -2.341 -10.415 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -10.883 -1.333 -10.739 1.00 0.35 H new ATOM 1672 N PHE B 3 19.323 2.558 1.328 1.00 0.00 N ATOM 1673 CA PHE B 3 19.098 3.481 0.168 1.00 0.00 C ATOM 1674 C PHE B 3 18.821 2.640 -1.080 1.00 0.00 C ATOM 1675 O PHE B 3 19.273 1.517 -1.194 1.00 0.00 O ATOM 1676 CB PHE B 3 20.358 4.329 -0.054 1.00 0.00 C ATOM 1677 CG PHE B 3 20.382 5.474 0.933 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.722 5.238 2.279 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.064 6.777 0.507 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.744 6.305 3.198 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.087 7.844 1.426 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.427 7.608 2.771 1.00 0.00 C ATOM 0 HA PHE B 3 18.251 4.138 0.368 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.249 3.713 0.067 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.374 4.715 -1.073 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.966 4.238 2.607 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.802 6.959 -0.525 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.004 6.123 4.230 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.844 8.844 1.098 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.445 8.427 3.475 1.00 0.00 H new ATOM 1692 N ARG B 4 18.080 3.166 -2.018 1.00 0.00 N ATOM 1693 CA ARG B 4 17.778 2.383 -3.253 1.00 0.00 C ATOM 1694 C ARG B 4 17.586 3.350 -4.437 1.00 0.00 C ATOM 1695 O ARG B 4 18.496 3.569 -5.212 1.00 0.00 O ATOM 1696 CB ARG B 4 16.501 1.537 -3.006 1.00 0.00 C ATOM 1697 CG ARG B 4 16.815 0.024 -3.067 1.00 0.00 C ATOM 1698 CD ARG B 4 17.483 -0.345 -4.414 1.00 0.00 C ATOM 1699 NE ARG B 4 16.834 -1.563 -5.000 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.603 -2.627 -4.274 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.005 -2.683 -3.035 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.992 -3.652 -4.805 1.00 0.00 N ATOM 0 H ARG B 4 17.672 4.100 -1.984 1.00 0.00 H new ATOM 0 HA ARG B 4 18.602 1.712 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.079 1.785 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.746 1.785 -3.752 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.474 -0.249 -2.243 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.896 -0.548 -2.943 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.400 0.490 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.547 -0.529 -4.262 1.00 0.00 H new ATOM 0 HE ARG B 4 16.567 -1.562 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.504 -1.894 -2.624 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.821 -3.516 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.697 -3.621 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.809 -4.484 -4.244 1.00 0.00 H new ATOM 1716 N TYR B 5 16.415 3.932 -4.581 1.00 0.00 N ATOM 1717 CA TYR B 5 16.170 4.892 -5.715 1.00 0.00 C ATOM 1718 C TYR B 5 15.468 6.165 -5.215 1.00 0.00 C ATOM 1719 O TYR B 5 14.981 6.240 -4.104 1.00 0.00 O ATOM 1720 CB TYR B 5 15.361 4.204 -6.833 1.00 0.00 C ATOM 1721 CG TYR B 5 14.358 3.240 -6.258 1.00 0.00 C ATOM 1722 CD1 TYR B 5 13.066 3.676 -5.930 1.00 0.00 C ATOM 1723 CD2 TYR B 5 14.713 1.889 -6.073 1.00 0.00 C ATOM 1724 CE1 TYR B 5 12.129 2.767 -5.410 1.00 0.00 C ATOM 1725 CE2 TYR B 5 13.775 0.979 -5.549 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.483 1.419 -5.217 1.00 0.00 C ATOM 1727 OH TYR B 5 11.563 0.532 -4.702 1.00 0.00 O ATOM 0 H TYR B 5 15.617 3.785 -3.963 1.00 0.00 H new ATOM 0 HA TYR B 5 17.132 5.192 -6.130 1.00 0.00 H new ATOM 0 HB2 TYR B 5 14.846 4.957 -7.430 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.038 3.674 -7.503 1.00 0.00 H new ATOM 0 HD1 TYR B 5 12.791 4.710 -6.077 1.00 0.00 H new ATOM 0 HD2 TYR B 5 15.705 1.551 -6.333 1.00 0.00 H new ATOM 0 HE1 TYR B 5 11.134 3.104 -5.158 1.00 0.00 H new ATOM 0 HE2 TYR B 5 14.048 -0.056 -5.403 1.00 0.00 H new ATOM 0 HH TYR B 5 12.013 -0.307 -4.469 1.00 0.00 H new ATOM 1737 N VAL B 6 15.478 7.183 -6.038 1.00 0.00 N ATOM 1738 CA VAL B 6 14.888 8.511 -5.669 1.00 0.00 C ATOM 1739 C VAL B 6 13.461 8.413 -5.132 1.00 0.00 C ATOM 1740 O VAL B 6 12.660 7.603 -5.563 1.00 0.00 O ATOM 1741 CB VAL B 6 14.856 9.402 -6.906 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.473 10.825 -6.497 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.231 9.411 -7.564 1.00 0.00 C ATOM 0 H VAL B 6 15.880 7.150 -6.975 1.00 0.00 H new ATOM 0 HA VAL B 6 15.517 8.920 -4.878 1.00 0.00 H new ATOM 0 HB VAL B 6 14.121 9.017 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.450 11.464 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.489 10.817 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.208 11.210 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.207 10.048 -8.448 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.969 9.795 -6.860 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.502 8.396 -7.855 1.00 0.00 H new ATOM 1753 N CYS B 7 13.134 9.297 -4.218 1.00 0.00 N ATOM 1754 CA CYS B 7 11.755 9.353 -3.656 1.00 0.00 C ATOM 1755 C CYS B 7 11.021 10.514 -4.327 1.00 0.00 C ATOM 1756 O CYS B 7 11.128 11.648 -3.907 1.00 0.00 O ATOM 1757 CB CYS B 7 11.806 9.589 -2.139 1.00 0.00 C ATOM 1758 SG CYS B 7 13.155 8.633 -1.406 1.00 0.00 S ATOM 0 H CYS B 7 13.777 9.990 -3.835 1.00 0.00 H new ATOM 0 HA CYS B 7 11.240 8.410 -3.841 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.948 10.650 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.857 9.300 -1.686 1.00 0.00 H new ATOM 1763 N GLU B 8 10.288 10.253 -5.373 1.00 0.00 N ATOM 1764 CA GLU B 8 9.573 11.366 -6.060 1.00 0.00 C ATOM 1765 C GLU B 8 8.264 11.672 -5.331 1.00 0.00 C ATOM 1766 O GLU B 8 7.225 11.883 -5.938 1.00 0.00 O ATOM 1767 CB GLU B 8 9.286 10.989 -7.515 1.00 0.00 C ATOM 1768 CG GLU B 8 8.872 9.520 -7.595 1.00 0.00 C ATOM 1769 CD GLU B 8 8.188 9.253 -8.938 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.794 9.545 -9.956 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.070 8.764 -8.926 1.00 0.00 O ATOM 0 H GLU B 8 10.153 9.327 -5.779 1.00 0.00 H new ATOM 0 HA GLU B 8 10.205 12.254 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.494 11.622 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.172 11.161 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.747 8.879 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.195 9.277 -6.776 1.00 0.00 H new ATOM 1778 N GLY B 9 8.309 11.737 -4.032 1.00 0.00 N ATOM 1779 CA GLY B 9 7.080 12.078 -3.275 1.00 0.00 C ATOM 1780 C GLY B 9 6.771 13.554 -3.585 1.00 0.00 C ATOM 1781 O GLY B 9 6.835 13.937 -4.737 1.00 0.00 O ATOM 0 H GLY B 9 9.140 11.569 -3.465 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.250 11.437 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.229 11.929 -2.206 1.00 0.00 H new ATOM 1785 N PRO B 10 6.477 14.373 -2.591 1.00 0.00 N ATOM 1786 CA PRO B 10 6.213 15.797 -2.856 1.00 0.00 C ATOM 1787 C PRO B 10 7.527 16.477 -3.275 1.00 0.00 C ATOM 1788 O PRO B 10 7.688 17.674 -3.151 1.00 0.00 O ATOM 1789 CB PRO B 10 5.688 16.364 -1.517 1.00 0.00 C ATOM 1790 CG PRO B 10 5.843 15.242 -0.448 1.00 0.00 C ATOM 1791 CD PRO B 10 6.367 13.980 -1.171 1.00 0.00 C ATOM 0 HA PRO B 10 5.493 15.961 -3.658 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.251 17.251 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.645 16.665 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.536 15.551 0.334 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.887 15.038 0.035 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.332 13.668 -0.772 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.683 13.140 -1.045 1.00 0.00 H new ATOM 1799 N SER B 11 8.463 15.709 -3.765 1.00 0.00 N ATOM 1800 CA SER B 11 9.769 16.282 -4.191 1.00 0.00 C ATOM 1801 C SER B 11 9.642 16.829 -5.614 1.00 0.00 C ATOM 1802 O SER B 11 10.288 17.791 -5.980 1.00 0.00 O ATOM 1803 CB SER B 11 10.836 15.182 -4.157 1.00 0.00 C ATOM 1804 OG SER B 11 12.075 15.716 -4.606 1.00 0.00 O ATOM 0 H SER B 11 8.376 14.700 -3.889 1.00 0.00 H new ATOM 0 HA SER B 11 10.056 17.089 -3.517 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.940 14.792 -3.145 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.535 14.348 -4.791 1.00 0.00 H new ATOM 0 HG SER B 11 12.760 15.016 -4.584 1.00 0.00 H new