USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 733 hydrogens (16 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 NoAdj-H: B 216 TYS HN2 : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 216 TYS H : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 217 TYS HN2 : B 217 TYS N : B 216 TYS C :(H bumps) USER MOD NoAdj-H: B 217 TYS H : B 217 TYS N : B 216 TYS C :(H bumps) USER MOD Set 1.1: B 210 THR OG1 : rot -92:sc= 0.0925 USER MOD Set 1.2: B 216 TYS O3 : rot 15:sc= -0.944! USER MOD Set 2.1: A 47 LYS NZ :NH3+ -145:sc= 1.1 (180deg=-0.705) USER MOD Set 2.2: B 217 TYS O3 : rot 180:sc= -0.19 USER MOD Single : A 1 GLY N :NH3+ -135:sc= -0.242 (180deg=-1.47!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0924 USER MOD Single : A 7 THR OG1 : rot -23:sc= 0.268 USER MOD Single : A 8 THR OG1 : rot -37:sc= 0.97 USER MOD Single : A 12 ASN : amide:sc= -1.66! C(o=-1.7!,f=-5.3!) USER MOD Single : A 15 ASN : amide:sc= -2.72! K(o=-2.7!,f=-0.33) USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= -0.716 (180deg=-2.1!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -13:sc= 0.667 USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= -1.51! (180deg=-2.21!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 167:sc= -5.54! USER MOD Single : A 44 LYS NZ :NH3+ -105:sc= -3.67! (180deg=-6.16!) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0504) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -3.39 (180deg=-3.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 106:sc= -2.82! USER MOD Single : A 62 MET CE :methyl 177:sc= -0.745 (180deg=-0.787) USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= -0.04 (180deg=-0.385) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 68 LYS NZ :NH3+ -111:sc= -1.84 (180deg=-4.36!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 213 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : B 214 THR OG1 : rot -14:sc= 0.466 USER MOD Single : B 215 SER OG : rot 180:sc= 0.0214 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.516 -14.176 -14.514 1.00 0.00 N ATOM 2 CA GLY A 1 0.544 -13.379 -13.255 1.00 0.00 C ATOM 3 C GLY A 1 -0.211 -14.125 -12.162 1.00 0.00 C ATOM 4 O GLY A 1 -1.337 -13.766 -11.817 1.00 0.00 O ATOM 0 H1 GLY A 1 1.465 -14.188 -14.939 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.220 -15.150 -14.302 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.157 -13.747 -15.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.575 -13.205 -12.946 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.092 -12.401 -13.421 1.00 0.00 H new ATOM 10 N PRO A 2 0.385 -15.151 -11.615 1.00 0.00 N ATOM 11 CA PRO A 2 -0.242 -15.967 -10.536 1.00 0.00 C ATOM 12 C PRO A 2 -0.827 -15.099 -9.421 1.00 0.00 C ATOM 13 O PRO A 2 -0.580 -13.895 -9.367 1.00 0.00 O ATOM 14 CB PRO A 2 0.917 -16.835 -10.023 1.00 0.00 C ATOM 15 CG PRO A 2 1.842 -16.962 -11.191 1.00 0.00 C ATOM 16 CD PRO A 2 1.728 -15.647 -11.968 1.00 0.00 C ATOM 0 HA PRO A 2 -1.087 -16.553 -10.898 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.415 -16.369 -9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.564 -17.811 -9.690 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.867 -17.132 -10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.565 -17.810 -11.817 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.506 -14.941 -11.677 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.827 -15.806 -13.042 1.00 0.00 H new ATOM 24 N ALA A 3 -1.601 -15.721 -8.539 1.00 0.00 N ATOM 25 CA ALA A 3 -2.214 -14.996 -7.431 1.00 0.00 C ATOM 26 C ALA A 3 -1.163 -14.197 -6.666 1.00 0.00 C ATOM 27 O ALA A 3 -0.009 -14.612 -6.563 1.00 0.00 O ATOM 28 CB ALA A 3 -2.902 -15.978 -6.481 1.00 0.00 C ATOM 0 H ALA A 3 -1.818 -16.717 -8.568 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.953 -14.306 -7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.357 -15.429 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.674 -16.527 -7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.166 -16.679 -6.087 1.00 0.00 H new ATOM 34 N SER A 4 -1.570 -13.050 -6.134 1.00 0.00 N ATOM 35 CA SER A 4 -0.655 -12.201 -5.381 1.00 0.00 C ATOM 36 C SER A 4 -0.218 -12.892 -4.093 1.00 0.00 C ATOM 37 O SER A 4 -0.648 -14.009 -3.801 1.00 0.00 O ATOM 38 CB SER A 4 -1.334 -10.872 -5.043 1.00 0.00 C ATOM 39 OG SER A 4 -0.367 -9.971 -4.522 1.00 0.00 O ATOM 0 H SER A 4 -2.521 -12.689 -6.209 1.00 0.00 H new ATOM 0 HA SER A 4 0.225 -12.014 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.798 -10.450 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.129 -11.031 -4.315 1.00 0.00 H new ATOM 0 HG SER A 4 -0.798 -9.118 -4.306 1.00 0.00 H new ATOM 45 N VAL A 5 0.637 -12.221 -3.328 1.00 0.00 N ATOM 46 CA VAL A 5 1.124 -12.782 -2.073 1.00 0.00 C ATOM 47 C VAL A 5 -0.032 -12.925 -1.072 1.00 0.00 C ATOM 48 O VAL A 5 -0.812 -11.989 -0.901 1.00 0.00 O ATOM 49 CB VAL A 5 2.196 -11.860 -1.485 1.00 0.00 C ATOM 50 CG1 VAL A 5 2.860 -12.538 -0.284 1.00 0.00 C ATOM 51 CG2 VAL A 5 3.254 -11.566 -2.551 1.00 0.00 C ATOM 0 H VAL A 5 1.004 -11.296 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 5 1.550 -13.767 -2.266 1.00 0.00 H new ATOM 0 HB VAL A 5 1.732 -10.928 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.622 -11.878 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.108 -12.748 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.323 -13.472 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.018 -10.910 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.715 -12.500 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.784 -11.079 -3.405 1.00 0.00 H new ATOM 61 N PRO A 6 -0.174 -14.056 -0.407 1.00 0.00 N ATOM 62 CA PRO A 6 -1.277 -14.258 0.580 1.00 0.00 C ATOM 63 C PRO A 6 -1.020 -13.501 1.884 1.00 0.00 C ATOM 64 O PRO A 6 0.036 -13.646 2.498 1.00 0.00 O ATOM 65 CB PRO A 6 -1.279 -15.775 0.805 1.00 0.00 C ATOM 66 CG PRO A 6 0.136 -16.192 0.576 1.00 0.00 C ATOM 67 CD PRO A 6 0.681 -15.259 -0.510 1.00 0.00 C ATOM 0 HA PRO A 6 -2.234 -13.878 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.608 -16.026 1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.957 -16.277 0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.721 -16.108 1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.189 -17.233 0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.731 -15.019 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.613 -15.714 -1.498 1.00 0.00 H new ATOM 75 N THR A 7 -1.995 -12.698 2.297 1.00 0.00 N ATOM 76 CA THR A 7 -1.863 -11.925 3.528 1.00 0.00 C ATOM 77 C THR A 7 -3.233 -11.474 4.026 1.00 0.00 C ATOM 78 O THR A 7 -4.188 -11.391 3.255 1.00 0.00 O ATOM 79 CB THR A 7 -0.979 -10.699 3.283 1.00 0.00 C ATOM 80 OG1 THR A 7 0.259 -11.116 2.723 1.00 0.00 O ATOM 81 CG2 THR A 7 -0.725 -9.978 4.608 1.00 0.00 C ATOM 0 H THR A 7 -2.878 -12.566 1.803 1.00 0.00 H new ATOM 0 HA THR A 7 -1.403 -12.559 4.286 1.00 0.00 H new ATOM 0 HB THR A 7 -1.480 -10.020 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.420 -12.056 2.949 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.096 -9.105 4.433 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.675 -9.660 5.037 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.223 -10.654 5.300 1.00 0.00 H new ATOM 89 N THR A 8 -3.320 -11.186 5.320 1.00 0.00 N ATOM 90 CA THR A 8 -4.579 -10.745 5.911 1.00 0.00 C ATOM 91 C THR A 8 -4.865 -9.294 5.540 1.00 0.00 C ATOM 92 O THR A 8 -5.809 -8.688 6.048 1.00 0.00 O ATOM 93 CB THR A 8 -4.515 -10.881 7.434 1.00 0.00 C ATOM 94 OG1 THR A 8 -5.719 -10.383 8.002 1.00 0.00 O ATOM 95 CG2 THR A 8 -3.326 -10.083 7.972 1.00 0.00 C ATOM 0 H THR A 8 -2.541 -11.249 5.975 1.00 0.00 H new ATOM 0 HA THR A 8 -5.382 -11.372 5.523 1.00 0.00 H new ATOM 0 HB THR A 8 -4.393 -11.931 7.700 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.018 -9.598 7.498 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.283 -10.181 9.057 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.403 -10.466 7.536 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.444 -9.032 7.707 1.00 0.00 H new ATOM 103 N CYS A 9 -4.046 -8.742 4.651 1.00 0.00 N ATOM 104 CA CYS A 9 -4.222 -7.360 4.219 1.00 0.00 C ATOM 105 C CYS A 9 -4.111 -6.410 5.408 1.00 0.00 C ATOM 106 O CYS A 9 -4.567 -6.721 6.508 1.00 0.00 O ATOM 107 CB CYS A 9 -5.589 -7.194 3.548 1.00 0.00 C ATOM 108 SG CYS A 9 -5.592 -5.683 2.550 1.00 0.00 S ATOM 0 H CYS A 9 -3.259 -9.226 4.218 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.437 -7.117 3.503 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -5.805 -8.058 2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.373 -7.145 4.303 1.00 0.00 H new ATOM 113 N CYS A 10 -3.502 -5.252 5.180 1.00 0.00 N ATOM 114 CA CYS A 10 -3.337 -4.263 6.240 1.00 0.00 C ATOM 115 C CYS A 10 -4.661 -4.020 6.957 1.00 0.00 C ATOM 116 O CYS A 10 -5.676 -4.633 6.629 1.00 0.00 O ATOM 117 CB CYS A 10 -2.819 -2.946 5.650 1.00 0.00 C ATOM 118 SG CYS A 10 -4.174 -2.071 4.824 1.00 0.00 S ATOM 0 H CYS A 10 -3.116 -4.975 4.277 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.614 -4.646 6.960 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.399 -2.323 6.440 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.016 -3.145 4.940 1.00 0.00 H new ATOM 123 N PHE A 11 -4.645 -3.112 7.928 1.00 0.00 N ATOM 124 CA PHE A 11 -5.855 -2.790 8.672 1.00 0.00 C ATOM 125 C PHE A 11 -6.925 -2.264 7.723 1.00 0.00 C ATOM 126 O PHE A 11 -7.865 -2.978 7.373 1.00 0.00 O ATOM 127 CB PHE A 11 -5.550 -1.736 9.740 1.00 0.00 C ATOM 128 CG PHE A 11 -4.616 -2.321 10.771 1.00 0.00 C ATOM 129 CD1 PHE A 11 -5.132 -3.013 11.872 1.00 0.00 C ATOM 130 CD2 PHE A 11 -3.231 -2.169 10.626 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.265 -3.553 12.829 1.00 0.00 C ATOM 132 CE2 PHE A 11 -2.364 -2.710 11.582 1.00 0.00 C ATOM 133 CZ PHE A 11 -2.882 -3.402 12.684 1.00 0.00 C ATOM 0 H PHE A 11 -3.816 -2.592 8.215 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.220 -3.695 9.158 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.097 -0.857 9.280 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.474 -1.407 10.216 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.200 -3.131 11.984 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.832 -1.634 9.777 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.664 -4.086 13.679 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.296 -2.594 11.470 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.213 -3.819 13.422 1.00 0.00 H new ATOM 143 N ASN A 12 -6.768 -1.012 7.301 1.00 0.00 N ATOM 144 CA ASN A 12 -7.718 -0.395 6.381 1.00 0.00 C ATOM 145 C ASN A 12 -7.344 1.061 6.123 1.00 0.00 C ATOM 146 O ASN A 12 -7.589 1.935 6.954 1.00 0.00 O ATOM 147 CB ASN A 12 -9.140 -0.474 6.954 1.00 0.00 C ATOM 148 CG ASN A 12 -9.114 -0.205 8.455 1.00 0.00 C ATOM 149 OD1 ASN A 12 -8.102 0.252 8.986 1.00 0.00 O ATOM 150 ND2 ASN A 12 -10.172 -0.463 9.172 1.00 0.00 N ATOM 0 H ASN A 12 -5.995 -0.407 7.580 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.684 -0.938 5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.782 0.253 6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.565 -1.459 6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.163 -0.286 10.177 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.009 -0.842 8.728 1.00 0.00 H new ATOM 157 N LEU A 13 -6.755 1.312 4.959 1.00 0.00 N ATOM 158 CA LEU A 13 -6.357 2.665 4.588 1.00 0.00 C ATOM 159 C LEU A 13 -5.443 3.275 5.650 1.00 0.00 C ATOM 160 O LEU A 13 -5.048 2.606 6.604 1.00 0.00 O ATOM 161 CB LEU A 13 -7.599 3.545 4.414 1.00 0.00 C ATOM 162 CG LEU A 13 -8.690 2.758 3.681 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.908 3.660 3.458 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.154 2.278 2.329 1.00 0.00 C ATOM 0 H LEU A 13 -6.543 0.601 4.259 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.810 2.613 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.964 3.872 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.344 4.443 3.851 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.982 1.896 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.685 3.100 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.290 4.000 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.617 4.522 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.930 1.718 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.861 3.139 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.288 1.635 2.488 1.00 0.00 H new ATOM 176 N ALA A 14 -5.115 4.552 5.472 1.00 0.00 N ATOM 177 CA ALA A 14 -4.249 5.258 6.413 1.00 0.00 C ATOM 178 C ALA A 14 -4.512 6.758 6.350 1.00 0.00 C ATOM 179 O ALA A 14 -4.305 7.390 5.314 1.00 0.00 O ATOM 180 CB ALA A 14 -2.780 4.985 6.083 1.00 0.00 C ATOM 0 H ALA A 14 -5.435 5.119 4.686 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.466 4.898 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.143 5.516 6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.585 3.915 6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.564 5.329 5.072 1.00 0.00 H new ATOM 186 N ASN A 15 -4.970 7.325 7.463 1.00 0.00 N ATOM 187 CA ASN A 15 -5.262 8.755 7.518 1.00 0.00 C ATOM 188 C ASN A 15 -4.001 9.552 7.835 1.00 0.00 C ATOM 189 O ASN A 15 -4.021 10.448 8.679 1.00 0.00 O ATOM 190 CB ASN A 15 -6.320 9.037 8.587 1.00 0.00 C ATOM 191 CG ASN A 15 -6.905 10.429 8.381 1.00 0.00 C ATOM 192 OD1 ASN A 15 -7.817 10.836 9.102 1.00 0.00 O ATOM 193 ND2 ASN A 15 -6.431 11.186 7.430 1.00 0.00 N ATOM 0 H ASN A 15 -5.146 6.821 8.332 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.639 9.061 6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.111 8.289 8.535 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.876 8.963 9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.816 12.119 7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.676 10.845 6.835 1.00 0.00 H new ATOM 200 N ARG A 16 -2.905 9.224 7.154 1.00 0.00 N ATOM 201 CA ARG A 16 -1.636 9.918 7.373 1.00 0.00 C ATOM 202 C ARG A 16 -0.833 9.987 6.077 1.00 0.00 C ATOM 203 O ARG A 16 -0.936 9.107 5.222 1.00 0.00 O ATOM 204 CB ARG A 16 -0.828 9.194 8.452 1.00 0.00 C ATOM 205 CG ARG A 16 -1.665 9.104 9.731 1.00 0.00 C ATOM 206 CD ARG A 16 -0.784 8.647 10.894 1.00 0.00 C ATOM 207 NE ARG A 16 -1.557 8.614 12.130 1.00 0.00 N ATOM 208 CZ ARG A 16 -1.038 8.127 13.252 1.00 0.00 C ATOM 209 NH1 ARG A 16 0.185 7.670 13.261 1.00 0.00 N ATOM 210 NH2 ARG A 16 -1.750 8.105 14.345 1.00 0.00 N ATOM 0 H ARG A 16 -2.869 8.487 6.450 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.846 10.935 7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.555 8.195 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.101 9.729 8.648 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.107 10.075 9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.488 8.404 9.589 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.377 7.658 10.685 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.064 9.323 11.005 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.513 8.971 12.133 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.742 7.687 12.407 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.583 7.296 14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.706 8.462 14.338 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.351 7.731 15.206 1.00 0.00 H new ATOM 224 N LYS A 17 -0.046 11.049 5.935 1.00 0.00 N ATOM 225 CA LYS A 17 0.761 11.242 4.734 1.00 0.00 C ATOM 226 C LYS A 17 2.037 10.405 4.782 1.00 0.00 C ATOM 227 O LYS A 17 2.726 10.353 5.801 1.00 0.00 O ATOM 228 CB LYS A 17 1.121 12.726 4.593 1.00 0.00 C ATOM 229 CG LYS A 17 2.100 12.921 3.426 1.00 0.00 C ATOM 230 CD LYS A 17 2.079 14.385 2.978 1.00 0.00 C ATOM 231 CE LYS A 17 3.198 14.625 1.963 1.00 0.00 C ATOM 232 NZ LYS A 17 4.503 14.213 2.554 1.00 0.00 N ATOM 0 H LYS A 17 0.050 11.786 6.633 1.00 0.00 H new ATOM 0 HA LYS A 17 0.176 10.918 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.218 13.313 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.568 13.090 5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.107 12.638 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.825 12.272 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.113 14.627 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.207 15.041 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.004 14.059 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.230 15.678 1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.273 14.747 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.499 14.409 3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.649 13.195 2.397 1.00 0.00 H new ATOM 246 N ILE A 18 2.349 9.759 3.658 1.00 0.00 N ATOM 247 CA ILE A 18 3.550 8.930 3.552 1.00 0.00 C ATOM 248 C ILE A 18 4.723 9.809 3.079 1.00 0.00 C ATOM 249 O ILE A 18 4.554 10.596 2.148 1.00 0.00 O ATOM 250 CB ILE A 18 3.277 7.792 2.531 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.570 6.604 3.230 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.573 7.311 1.849 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.580 5.670 3.917 1.00 0.00 C ATOM 0 H ILE A 18 1.786 9.794 2.808 1.00 0.00 H new ATOM 0 HA ILE A 18 3.804 8.492 4.517 1.00 0.00 H new ATOM 0 HB ILE A 18 2.625 8.195 1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.864 6.983 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.993 6.041 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.338 6.515 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.035 8.143 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.263 6.934 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.048 4.848 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.270 5.271 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.139 6.228 4.668 1.00 0.00 H new ATOM 265 N PRO A 19 5.901 9.710 3.670 1.00 0.00 N ATOM 266 CA PRO A 19 7.064 10.544 3.232 1.00 0.00 C ATOM 267 C PRO A 19 7.416 10.277 1.764 1.00 0.00 C ATOM 268 O PRO A 19 7.773 9.159 1.393 1.00 0.00 O ATOM 269 CB PRO A 19 8.202 10.127 4.186 1.00 0.00 C ATOM 270 CG PRO A 19 7.792 8.794 4.719 1.00 0.00 C ATOM 271 CD PRO A 19 6.273 8.827 4.795 1.00 0.00 C ATOM 0 HA PRO A 19 6.861 11.614 3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.155 10.066 3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.328 10.852 4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.133 7.990 4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.229 8.615 5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.842 7.832 4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.925 9.222 5.750 1.00 0.00 H new ATOM 279 N LEU A 20 7.290 11.311 0.935 1.00 0.00 N ATOM 280 CA LEU A 20 7.572 11.185 -0.494 1.00 0.00 C ATOM 281 C LEU A 20 9.011 10.721 -0.748 1.00 0.00 C ATOM 282 O LEU A 20 9.307 10.150 -1.798 1.00 0.00 O ATOM 283 CB LEU A 20 7.317 12.533 -1.201 1.00 0.00 C ATOM 284 CG LEU A 20 5.840 12.644 -1.601 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.959 12.518 -0.358 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.587 13.998 -2.268 1.00 0.00 C ATOM 0 H LEU A 20 6.995 12.243 1.227 1.00 0.00 H new ATOM 0 HA LEU A 20 6.903 10.428 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.586 13.357 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.949 12.615 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 20 5.598 11.844 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.911 12.597 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.133 11.552 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.204 13.315 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.537 14.074 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.834 14.799 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.210 14.087 -3.158 1.00 0.00 H new ATOM 298 N GLN A 21 9.901 10.986 0.199 1.00 0.00 N ATOM 299 CA GLN A 21 11.305 10.608 0.044 1.00 0.00 C ATOM 300 C GLN A 21 11.497 9.089 0.051 1.00 0.00 C ATOM 301 O GLN A 21 12.501 8.587 -0.456 1.00 0.00 O ATOM 302 CB GLN A 21 12.137 11.229 1.170 1.00 0.00 C ATOM 303 CG GLN A 21 11.442 10.995 2.512 1.00 0.00 C ATOM 304 CD GLN A 21 12.356 11.424 3.654 1.00 0.00 C ATOM 305 OE1 GLN A 21 13.272 10.691 4.027 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.161 12.576 4.235 1.00 0.00 N ATOM 0 H GLN A 21 9.682 11.457 1.077 1.00 0.00 H new ATOM 0 HA GLN A 21 11.639 10.983 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.134 10.789 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.263 12.298 0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.509 11.558 2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.183 9.941 2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.401 13.182 3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.768 12.871 5.000 1.00 0.00 H new ATOM 315 N ARG A 22 10.551 8.359 0.642 1.00 0.00 N ATOM 316 CA ARG A 22 10.655 6.893 0.724 1.00 0.00 C ATOM 317 C ARG A 22 9.718 6.203 -0.270 1.00 0.00 C ATOM 318 O ARG A 22 9.947 5.057 -0.655 1.00 0.00 O ATOM 319 CB ARG A 22 10.312 6.448 2.151 1.00 0.00 C ATOM 320 CG ARG A 22 11.443 6.873 3.120 1.00 0.00 C ATOM 321 CD ARG A 22 10.860 7.247 4.490 1.00 0.00 C ATOM 322 NE ARG A 22 11.889 7.150 5.517 1.00 0.00 N ATOM 323 CZ ARG A 22 11.639 7.492 6.776 1.00 0.00 C ATOM 324 NH1 ARG A 22 10.454 7.923 7.112 1.00 0.00 N ATOM 325 NH2 ARG A 22 12.578 7.398 7.677 1.00 0.00 N ATOM 0 H ARG A 22 9.710 8.749 1.068 1.00 0.00 H new ATOM 0 HA ARG A 22 11.676 6.606 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.367 6.893 2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.181 5.366 2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.160 6.059 3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.987 7.722 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.461 8.261 4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.029 6.585 4.733 1.00 0.00 H new ATOM 0 HE ARG A 22 12.818 6.813 5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.720 7.997 6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.262 8.186 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.505 7.062 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.385 7.661 8.644 1.00 0.00 H new ATOM 339 N LEU A 23 8.666 6.901 -0.673 1.00 0.00 N ATOM 340 CA LEU A 23 7.697 6.345 -1.616 1.00 0.00 C ATOM 341 C LEU A 23 8.347 6.140 -2.984 1.00 0.00 C ATOM 342 O LEU A 23 9.044 7.018 -3.493 1.00 0.00 O ATOM 343 CB LEU A 23 6.489 7.308 -1.682 1.00 0.00 C ATOM 344 CG LEU A 23 5.667 7.197 -2.993 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.420 7.826 -4.192 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.275 5.726 -3.288 1.00 0.00 C ATOM 0 H LEU A 23 8.459 7.851 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 23 7.351 5.365 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.832 7.110 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.847 8.332 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 23 4.748 7.765 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.814 7.730 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.607 8.881 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.369 7.310 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.700 5.681 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.177 5.123 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.672 5.338 -2.467 1.00 0.00 H new ATOM 358 N GLU A 24 8.119 4.964 -3.574 1.00 0.00 N ATOM 359 CA GLU A 24 8.679 4.634 -4.889 1.00 0.00 C ATOM 360 C GLU A 24 7.589 4.709 -5.960 1.00 0.00 C ATOM 361 O GLU A 24 7.660 5.530 -6.874 1.00 0.00 O ATOM 362 CB GLU A 24 9.280 3.222 -4.852 1.00 0.00 C ATOM 363 CG GLU A 24 9.667 2.764 -6.266 1.00 0.00 C ATOM 364 CD GLU A 24 10.508 3.831 -6.959 1.00 0.00 C ATOM 365 OE1 GLU A 24 11.620 4.062 -6.515 1.00 0.00 O ATOM 366 OE2 GLU A 24 10.028 4.400 -7.926 1.00 0.00 O ATOM 0 H GLU A 24 7.551 4.224 -3.163 1.00 0.00 H new ATOM 0 HA GLU A 24 9.461 5.353 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.159 3.211 -4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.560 2.525 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.226 1.830 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.768 2.565 -6.849 1.00 0.00 H new ATOM 373 N SER A 25 6.579 3.848 -5.833 1.00 0.00 N ATOM 374 CA SER A 25 5.468 3.817 -6.787 1.00 0.00 C ATOM 375 C SER A 25 4.184 3.382 -6.087 1.00 0.00 C ATOM 376 O SER A 25 4.183 3.135 -4.881 1.00 0.00 O ATOM 377 CB SER A 25 5.785 2.849 -7.927 1.00 0.00 C ATOM 378 OG SER A 25 4.879 3.072 -8.998 1.00 0.00 O ATOM 0 H SER A 25 6.506 3.163 -5.080 1.00 0.00 H new ATOM 0 HA SER A 25 5.329 4.819 -7.194 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.811 2.993 -8.267 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.707 1.819 -7.578 1.00 0.00 H new ATOM 0 HG SER A 25 5.081 2.454 -9.731 1.00 0.00 H new ATOM 384 N TYR A 26 3.086 3.284 -6.847 1.00 0.00 N ATOM 385 CA TYR A 26 1.795 2.870 -6.278 1.00 0.00 C ATOM 386 C TYR A 26 1.200 1.700 -7.063 1.00 0.00 C ATOM 387 O TYR A 26 1.574 1.451 -8.209 1.00 0.00 O ATOM 388 CB TYR A 26 0.805 4.046 -6.273 1.00 0.00 C ATOM 389 CG TYR A 26 0.339 4.341 -7.681 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.104 5.162 -8.517 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.859 3.788 -8.147 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.670 5.433 -9.819 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.293 4.058 -9.449 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.529 4.881 -10.287 1.00 0.00 C ATOM 395 OH TYR A 26 -0.956 5.146 -11.571 1.00 0.00 O ATOM 0 H TYR A 26 3.064 3.483 -7.847 1.00 0.00 H new ATOM 0 HA TYR A 26 1.972 2.548 -5.252 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.051 3.808 -5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.280 4.929 -5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.030 5.586 -8.157 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.448 3.153 -7.502 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.260 6.068 -10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.218 3.632 -9.809 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.805 4.685 -11.735 1.00 0.00 H new ATOM 405 N ARG A 27 0.266 0.992 -6.429 1.00 0.00 N ATOM 406 CA ARG A 27 -0.397 -0.152 -7.057 1.00 0.00 C ATOM 407 C ARG A 27 -1.837 -0.250 -6.559 1.00 0.00 C ATOM 408 O ARG A 27 -2.156 0.243 -5.480 1.00 0.00 O ATOM 409 CB ARG A 27 0.357 -1.448 -6.718 1.00 0.00 C ATOM 410 CG ARG A 27 -0.022 -2.566 -7.717 1.00 0.00 C ATOM 411 CD ARG A 27 0.018 -3.931 -7.022 1.00 0.00 C ATOM 412 NE ARG A 27 0.074 -5.001 -8.010 1.00 0.00 N ATOM 413 CZ ARG A 27 -0.052 -6.274 -7.652 1.00 0.00 C ATOM 414 NH1 ARG A 27 -0.227 -6.585 -6.397 1.00 0.00 N ATOM 415 NH2 ARG A 27 0.000 -7.214 -8.556 1.00 0.00 N ATOM 0 H ARG A 27 -0.050 1.190 -5.480 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.397 -0.013 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.432 -1.271 -6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.117 -1.762 -5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.019 -2.383 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.668 -2.559 -8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.887 -3.987 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.864 -4.053 -6.394 1.00 0.00 H new ATOM 0 HE ARG A 27 0.212 -4.768 -8.993 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.267 -5.851 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.324 -7.563 -6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.137 -6.971 -9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.097 -8.192 -8.281 1.00 0.00 H new ATOM 429 N ARG A 28 -2.708 -0.876 -7.352 1.00 0.00 N ATOM 430 CA ARG A 28 -4.122 -1.013 -6.978 1.00 0.00 C ATOM 431 C ARG A 28 -4.452 -2.445 -6.557 1.00 0.00 C ATOM 432 O ARG A 28 -3.874 -3.406 -7.065 1.00 0.00 O ATOM 433 CB ARG A 28 -5.005 -0.592 -8.171 1.00 0.00 C ATOM 434 CG ARG A 28 -6.287 0.086 -7.674 1.00 0.00 C ATOM 435 CD ARG A 28 -7.219 0.339 -8.858 1.00 0.00 C ATOM 436 NE ARG A 28 -6.459 0.824 -10.005 1.00 0.00 N ATOM 437 CZ ARG A 28 -6.983 0.825 -11.226 1.00 0.00 C ATOM 438 NH1 ARG A 28 -8.197 0.385 -11.416 1.00 0.00 N ATOM 439 NH2 ARG A 28 -6.283 1.264 -12.236 1.00 0.00 N ATOM 0 H ARG A 28 -2.465 -1.294 -8.250 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.320 -0.365 -6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.453 0.090 -8.818 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.258 -1.466 -8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.782 -0.545 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.046 1.027 -7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.741 -0.581 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.979 1.069 -8.582 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.509 1.168 -9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.744 0.040 -10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.599 0.386 -12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.334 1.606 -12.088 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.685 1.265 -13.173 1.00 0.00 H new ATOM 453 N ILE A 29 -5.401 -2.571 -5.624 1.00 0.00 N ATOM 454 CA ILE A 29 -5.836 -3.882 -5.125 1.00 0.00 C ATOM 455 C ILE A 29 -7.254 -4.174 -5.620 1.00 0.00 C ATOM 456 O ILE A 29 -8.173 -3.386 -5.399 1.00 0.00 O ATOM 457 CB ILE A 29 -5.792 -3.920 -3.565 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.548 -2.502 -3.023 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.665 -4.851 -3.090 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.669 -2.486 -1.494 1.00 0.00 C ATOM 0 H ILE A 29 -5.884 -1.780 -5.198 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.157 -4.646 -5.504 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.745 -4.296 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.557 -2.158 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.269 -1.810 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.644 -4.870 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.842 -5.858 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.709 -4.486 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.494 -1.475 -1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.669 -2.809 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.930 -3.162 -1.063 1.00 0.00 H new ATOM 472 N THR A 30 -7.422 -5.312 -6.288 1.00 0.00 N ATOM 473 CA THR A 30 -8.730 -5.702 -6.808 1.00 0.00 C ATOM 474 C THR A 30 -8.817 -7.219 -6.935 1.00 0.00 C ATOM 475 O THR A 30 -9.357 -7.742 -7.910 1.00 0.00 O ATOM 476 CB THR A 30 -8.966 -5.059 -8.180 1.00 0.00 C ATOM 477 OG1 THR A 30 -7.861 -5.341 -9.028 1.00 0.00 O ATOM 478 CG2 THR A 30 -9.118 -3.542 -8.026 1.00 0.00 C ATOM 0 H THR A 30 -6.673 -5.977 -6.481 1.00 0.00 H new ATOM 0 HA THR A 30 -9.495 -5.357 -6.113 1.00 0.00 H new ATOM 0 HB THR A 30 -9.878 -5.467 -8.617 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.010 -4.933 -9.906 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.285 -3.092 -9.005 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.967 -3.325 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.210 -3.128 -7.587 1.00 0.00 H new ATOM 486 N SER A 31 -8.280 -7.921 -5.941 1.00 0.00 N ATOM 487 CA SER A 31 -8.300 -9.378 -5.947 1.00 0.00 C ATOM 488 C SER A 31 -7.867 -9.924 -4.591 1.00 0.00 C ATOM 489 O SER A 31 -8.258 -11.024 -4.200 1.00 0.00 O ATOM 490 CB SER A 31 -7.365 -9.909 -7.034 1.00 0.00 C ATOM 491 OG SER A 31 -7.880 -9.553 -8.311 1.00 0.00 O ATOM 0 H SER A 31 -7.828 -7.506 -5.126 1.00 0.00 H new ATOM 0 HA SER A 31 -9.319 -9.708 -6.152 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.365 -9.495 -6.904 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.274 -10.992 -6.955 1.00 0.00 H new ATOM 0 HG SER A 31 -8.802 -9.236 -8.215 1.00 0.00 H new ATOM 497 N GLY A 32 -7.058 -9.147 -3.877 1.00 0.00 N ATOM 498 CA GLY A 32 -6.578 -9.563 -2.563 1.00 0.00 C ATOM 499 C GLY A 32 -7.634 -9.312 -1.493 1.00 0.00 C ATOM 500 O GLY A 32 -7.306 -9.005 -0.348 1.00 0.00 O ATOM 0 H GLY A 32 -6.723 -8.233 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.321 -10.622 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.667 -9.018 -2.315 1.00 0.00 H new ATOM 504 N LYS A 33 -8.903 -9.450 -1.881 1.00 0.00 N ATOM 505 CA LYS A 33 -10.026 -9.242 -0.963 1.00 0.00 C ATOM 506 C LYS A 33 -9.727 -8.138 0.050 1.00 0.00 C ATOM 507 O LYS A 33 -10.236 -8.158 1.171 1.00 0.00 O ATOM 508 CB LYS A 33 -10.359 -10.546 -0.228 1.00 0.00 C ATOM 509 CG LYS A 33 -9.119 -11.076 0.499 1.00 0.00 C ATOM 510 CD LYS A 33 -9.525 -12.207 1.448 1.00 0.00 C ATOM 511 CE LYS A 33 -10.254 -13.304 0.667 1.00 0.00 C ATOM 512 NZ LYS A 33 -9.592 -13.503 -0.653 1.00 0.00 N ATOM 0 H LYS A 33 -9.180 -9.706 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.885 -8.931 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.163 -10.373 0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.719 -11.290 -0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.388 -11.439 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.641 -10.272 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.642 -12.620 1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.171 -11.819 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.245 -14.235 1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.299 -13.029 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.820 -14.450 -1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.931 -12.784 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.562 -13.414 -0.542 1.00 0.00 H new ATOM 526 N CYS A 34 -8.899 -7.178 -0.351 1.00 0.00 N ATOM 527 CA CYS A 34 -8.542 -6.071 0.531 1.00 0.00 C ATOM 528 C CYS A 34 -9.678 -5.042 0.569 1.00 0.00 C ATOM 529 O CYS A 34 -10.443 -4.928 -0.389 1.00 0.00 O ATOM 530 CB CYS A 34 -7.249 -5.413 0.032 1.00 0.00 C ATOM 531 SG CYS A 34 -5.824 -6.341 0.654 1.00 0.00 S ATOM 0 H CYS A 34 -8.465 -7.143 -1.274 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.383 -6.452 1.540 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.236 -5.392 -1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.200 -4.378 0.372 1.00 0.00 H new ATOM 536 N PRO A 35 -9.807 -4.294 1.642 1.00 0.00 N ATOM 537 CA PRO A 35 -10.875 -3.265 1.774 1.00 0.00 C ATOM 538 C PRO A 35 -11.168 -2.555 0.454 1.00 0.00 C ATOM 539 O PRO A 35 -10.411 -1.684 0.027 1.00 0.00 O ATOM 540 CB PRO A 35 -10.292 -2.300 2.807 1.00 0.00 C ATOM 541 CG PRO A 35 -9.465 -3.165 3.709 1.00 0.00 C ATOM 542 CD PRO A 35 -8.958 -4.338 2.849 1.00 0.00 C ATOM 0 HA PRO A 35 -11.834 -3.693 2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.685 -1.529 2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.080 -1.789 3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.631 -2.602 4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.058 -3.528 4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.903 -4.222 2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.059 -5.289 3.373 1.00 0.00 H new ATOM 550 N GLN A 36 -12.276 -2.936 -0.180 1.00 0.00 N ATOM 551 CA GLN A 36 -12.687 -2.341 -1.453 1.00 0.00 C ATOM 552 C GLN A 36 -11.481 -2.034 -2.343 1.00 0.00 C ATOM 553 O GLN A 36 -10.392 -2.571 -2.141 1.00 0.00 O ATOM 554 CB GLN A 36 -13.502 -1.062 -1.202 1.00 0.00 C ATOM 555 CG GLN A 36 -12.679 -0.047 -0.399 1.00 0.00 C ATOM 556 CD GLN A 36 -13.385 1.306 -0.402 1.00 0.00 C ATOM 557 OE1 GLN A 36 -13.319 2.040 -1.388 1.00 0.00 O ATOM 558 NE2 GLN A 36 -14.061 1.680 0.649 1.00 0.00 N ATOM 0 H GLN A 36 -12.908 -3.657 0.168 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.311 -3.066 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.803 -0.623 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.416 -1.307 -0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.550 -0.398 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.683 0.051 -0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.114 1.070 1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.536 2.582 0.655 1.00 0.00 H new ATOM 567 N LYS A 37 -11.690 -1.172 -3.336 1.00 0.00 N ATOM 568 CA LYS A 37 -10.623 -0.797 -4.263 1.00 0.00 C ATOM 569 C LYS A 37 -9.838 0.391 -3.711 1.00 0.00 C ATOM 570 O LYS A 37 -10.419 1.325 -3.160 1.00 0.00 O ATOM 571 CB LYS A 37 -11.232 -0.433 -5.620 1.00 0.00 C ATOM 572 CG LYS A 37 -10.125 -0.256 -6.667 1.00 0.00 C ATOM 573 CD LYS A 37 -10.734 -0.321 -8.073 1.00 0.00 C ATOM 574 CE LYS A 37 -11.885 0.680 -8.183 1.00 0.00 C ATOM 575 NZ LYS A 37 -12.226 0.889 -9.618 1.00 0.00 N ATOM 0 H LYS A 37 -12.586 -0.721 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.942 -1.640 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.922 -1.214 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.810 0.487 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.622 0.700 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.371 -1.034 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.973 -0.098 -8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.095 -1.329 -8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.756 0.310 -7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.602 1.627 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.009 1.570 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.395 1.260 -10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.513 -0.016 -10.042 1.00 0.00 H new ATOM 589 N ALA A 38 -8.516 0.345 -3.853 1.00 0.00 N ATOM 590 CA ALA A 38 -7.670 1.424 -3.352 1.00 0.00 C ATOM 591 C ALA A 38 -6.247 1.296 -3.894 1.00 0.00 C ATOM 592 O ALA A 38 -5.864 0.249 -4.412 1.00 0.00 O ATOM 593 CB ALA A 38 -7.648 1.383 -1.820 1.00 0.00 C ATOM 0 H ALA A 38 -8.012 -0.418 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.080 2.376 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.017 2.188 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.661 1.508 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.250 0.424 -1.487 1.00 0.00 H new ATOM 599 N VAL A 39 -5.461 2.368 -3.766 1.00 0.00 N ATOM 600 CA VAL A 39 -4.075 2.353 -4.240 1.00 0.00 C ATOM 601 C VAL A 39 -3.143 1.930 -3.106 1.00 0.00 C ATOM 602 O VAL A 39 -3.532 1.952 -1.938 1.00 0.00 O ATOM 603 CB VAL A 39 -3.687 3.730 -4.794 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.816 4.251 -5.690 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.444 4.719 -3.651 1.00 0.00 C ATOM 0 H VAL A 39 -5.756 3.248 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.980 1.629 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.768 3.632 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.544 5.230 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.975 3.557 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.733 4.337 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.170 5.690 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.353 4.820 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.636 4.352 -3.018 1.00 0.00 H new ATOM 615 N ILE A 40 -1.924 1.511 -3.453 1.00 0.00 N ATOM 616 CA ILE A 40 -0.961 1.044 -2.448 1.00 0.00 C ATOM 617 C ILE A 40 0.411 1.682 -2.641 1.00 0.00 C ATOM 618 O ILE A 40 1.172 1.265 -3.511 1.00 0.00 O ATOM 619 CB ILE A 40 -0.828 -0.481 -2.561 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.136 -1.137 -2.115 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.323 -0.987 -1.682 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.121 -2.622 -2.483 1.00 0.00 C ATOM 0 H ILE A 40 -1.580 1.485 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.329 1.330 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.616 -0.741 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.264 -1.021 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.983 -0.643 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.403 -2.070 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.257 -0.526 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.129 -0.725 -0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.054 -3.085 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.014 -2.728 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.284 -3.112 -1.985 1.00 0.00 H new ATOM 634 N PHE A 41 0.740 2.663 -1.803 1.00 0.00 N ATOM 635 CA PHE A 41 2.047 3.306 -1.889 1.00 0.00 C ATOM 636 C PHE A 41 3.092 2.418 -1.226 1.00 0.00 C ATOM 637 O PHE A 41 2.997 2.116 -0.036 1.00 0.00 O ATOM 638 CB PHE A 41 2.025 4.670 -1.196 1.00 0.00 C ATOM 639 CG PHE A 41 0.931 5.522 -1.795 1.00 0.00 C ATOM 640 CD1 PHE A 41 1.055 6.005 -3.105 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.200 5.837 -1.037 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.045 6.802 -3.654 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.207 6.633 -1.585 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.086 7.116 -2.894 1.00 0.00 C ATOM 0 H PHE A 41 0.131 3.024 -1.069 1.00 0.00 H new ATOM 0 HA PHE A 41 2.296 3.453 -2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.858 4.544 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.990 5.164 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.930 5.762 -3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.295 5.465 -0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.139 7.174 -4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.081 6.877 -0.999 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.867 7.731 -3.317 1.00 0.00 H new ATOM 654 N LYS A 42 4.086 1.990 -2.001 1.00 0.00 N ATOM 655 CA LYS A 42 5.142 1.121 -1.480 1.00 0.00 C ATOM 656 C LYS A 42 6.410 1.919 -1.205 1.00 0.00 C ATOM 657 O LYS A 42 6.760 2.830 -1.956 1.00 0.00 O ATOM 658 CB LYS A 42 5.438 0.008 -2.490 1.00 0.00 C ATOM 659 CG LYS A 42 6.121 0.593 -3.735 1.00 0.00 C ATOM 660 CD LYS A 42 5.959 -0.366 -4.921 1.00 0.00 C ATOM 661 CE LYS A 42 6.373 -1.781 -4.506 1.00 0.00 C ATOM 662 NZ LYS A 42 6.592 -2.612 -5.724 1.00 0.00 N ATOM 0 H LYS A 42 4.184 2.229 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 42 4.801 0.682 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.080 -0.746 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.512 -0.491 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.685 1.562 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.179 0.761 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.924 -0.366 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.570 -0.029 -5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.284 -1.744 -3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.600 -2.229 -3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.873 -3.573 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.712 -2.656 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.344 -2.187 -6.304 1.00 0.00 H new ATOM 676 N THR A 43 7.097 1.567 -0.122 1.00 0.00 N ATOM 677 CA THR A 43 8.334 2.248 0.259 1.00 0.00 C ATOM 678 C THR A 43 9.291 1.257 0.919 1.00 0.00 C ATOM 679 O THR A 43 8.953 0.089 1.115 1.00 0.00 O ATOM 680 CB THR A 43 8.038 3.419 1.227 1.00 0.00 C ATOM 681 OG1 THR A 43 8.958 3.390 2.309 1.00 0.00 O ATOM 682 CG2 THR A 43 6.611 3.308 1.776 1.00 0.00 C ATOM 0 H THR A 43 6.819 0.815 0.508 1.00 0.00 H new ATOM 0 HA THR A 43 8.798 2.652 -0.641 1.00 0.00 H new ATOM 0 HB THR A 43 8.140 4.357 0.681 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.910 4.235 2.802 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.417 4.138 2.455 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.900 3.341 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.500 2.366 2.313 1.00 0.00 H new ATOM 690 N LYS A 44 10.485 1.731 1.256 1.00 0.00 N ATOM 691 CA LYS A 44 11.487 0.880 1.891 1.00 0.00 C ATOM 692 C LYS A 44 11.226 0.759 3.389 1.00 0.00 C ATOM 693 O LYS A 44 12.137 0.465 4.163 1.00 0.00 O ATOM 694 CB LYS A 44 12.884 1.460 1.661 1.00 0.00 C ATOM 695 CG LYS A 44 13.192 1.482 0.161 1.00 0.00 C ATOM 696 CD LYS A 44 14.695 1.686 -0.055 1.00 0.00 C ATOM 697 CE LYS A 44 15.164 2.934 0.701 1.00 0.00 C ATOM 698 NZ LYS A 44 15.327 2.606 2.147 1.00 0.00 N ATOM 0 H LYS A 44 10.783 2.694 1.102 1.00 0.00 H new ATOM 0 HA LYS A 44 11.424 -0.113 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.941 2.469 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.628 0.861 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.872 0.547 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.633 2.283 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.244 0.811 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.908 1.793 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.109 3.289 0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.440 3.740 0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.536 3.012 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.336 1.573 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.223 3.004 2.494 1.00 0.00 H new ATOM 712 N LEU A 45 9.980 0.986 3.794 1.00 0.00 N ATOM 713 CA LEU A 45 9.624 0.895 5.207 1.00 0.00 C ATOM 714 C LEU A 45 9.805 -0.546 5.695 1.00 0.00 C ATOM 715 O LEU A 45 10.849 -0.897 6.245 1.00 0.00 O ATOM 716 CB LEU A 45 8.156 1.362 5.414 1.00 0.00 C ATOM 717 CG LEU A 45 8.078 2.779 6.032 1.00 0.00 C ATOM 718 CD1 LEU A 45 8.809 2.833 7.393 1.00 0.00 C ATOM 719 CD2 LEU A 45 8.678 3.811 5.061 1.00 0.00 C ATOM 0 H LEU A 45 9.209 1.231 3.173 1.00 0.00 H new ATOM 0 HA LEU A 45 10.279 1.545 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.635 1.355 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.639 0.655 6.063 1.00 0.00 H new ATOM 0 HG LEU A 45 7.029 3.020 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.738 3.840 7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.347 2.126 8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.858 2.571 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.619 4.805 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.721 3.563 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.120 3.797 4.125 1.00 0.00 H new ATOM 731 N ALA A 46 8.783 -1.372 5.492 1.00 0.00 N ATOM 732 CA ALA A 46 8.847 -2.765 5.920 1.00 0.00 C ATOM 733 C ALA A 46 7.610 -3.531 5.462 1.00 0.00 C ATOM 734 O ALA A 46 7.533 -4.750 5.616 1.00 0.00 O ATOM 735 CB ALA A 46 8.958 -2.837 7.444 1.00 0.00 C ATOM 0 H ALA A 46 7.909 -1.105 5.039 1.00 0.00 H new ATOM 0 HA ALA A 46 9.727 -3.221 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.005 -3.880 7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.861 -2.320 7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.087 -2.362 7.895 1.00 0.00 H new ATOM 741 N LYS A 47 6.643 -2.812 4.898 1.00 0.00 N ATOM 742 CA LYS A 47 5.416 -3.443 4.425 1.00 0.00 C ATOM 743 C LYS A 47 4.652 -2.502 3.491 1.00 0.00 C ATOM 744 O LYS A 47 5.060 -1.362 3.271 1.00 0.00 O ATOM 745 CB LYS A 47 4.533 -3.840 5.622 1.00 0.00 C ATOM 746 CG LYS A 47 4.690 -2.813 6.748 1.00 0.00 C ATOM 747 CD LYS A 47 4.355 -1.414 6.226 1.00 0.00 C ATOM 748 CE LYS A 47 4.160 -0.460 7.406 1.00 0.00 C ATOM 749 NZ LYS A 47 2.831 -0.709 8.032 1.00 0.00 N ATOM 0 H LYS A 47 6.685 -1.802 4.759 1.00 0.00 H new ATOM 0 HA LYS A 47 5.679 -4.341 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.489 -3.897 5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.814 -4.831 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.032 -3.068 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.710 -2.833 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.157 -1.053 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.450 -1.448 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.953 -0.606 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.226 0.574 7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.433 0.190 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.189 -1.129 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.942 -1.363 8.833 1.00 0.00 H new ATOM 763 N ASP A 48 3.547 -2.999 2.940 1.00 0.00 N ATOM 764 CA ASP A 48 2.730 -2.207 2.022 1.00 0.00 C ATOM 765 C ASP A 48 1.763 -1.308 2.789 1.00 0.00 C ATOM 766 O ASP A 48 1.335 -1.637 3.896 1.00 0.00 O ATOM 767 CB ASP A 48 1.940 -3.138 1.100 1.00 0.00 C ATOM 768 CG ASP A 48 2.839 -4.265 0.605 1.00 0.00 C ATOM 769 OD1 ASP A 48 3.837 -3.965 -0.030 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.517 -5.412 0.867 1.00 0.00 O ATOM 0 H ASP A 48 3.197 -3.942 3.112 1.00 0.00 H new ATOM 0 HA ASP A 48 3.393 -1.577 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.084 -3.552 1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.546 -2.577 0.253 1.00 0.00 H new ATOM 775 N ILE A 49 1.425 -0.164 2.190 1.00 0.00 N ATOM 776 CA ILE A 49 0.507 0.799 2.810 1.00 0.00 C ATOM 777 C ILE A 49 -0.783 0.898 1.996 1.00 0.00 C ATOM 778 O ILE A 49 -0.745 0.967 0.772 1.00 0.00 O ATOM 779 CB ILE A 49 1.174 2.184 2.876 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.662 2.046 3.248 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.460 3.056 3.912 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.822 1.410 4.635 1.00 0.00 C ATOM 0 H ILE A 49 1.773 0.120 1.274 1.00 0.00 H new ATOM 0 HA ILE A 49 0.269 0.458 3.818 1.00 0.00 H new ATOM 0 HB ILE A 49 1.100 2.655 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.172 1.436 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.137 3.027 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.937 4.035 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.586 3.174 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.520 2.581 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.882 1.323 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.331 2.035 5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.367 0.419 4.636 1.00 0.00 H new ATOM 794 N CYS A 50 -1.924 0.912 2.684 1.00 0.00 N ATOM 795 CA CYS A 50 -3.224 1.009 2.011 1.00 0.00 C ATOM 796 C CYS A 50 -3.751 2.441 2.088 1.00 0.00 C ATOM 797 O CYS A 50 -3.491 3.152 3.058 1.00 0.00 O ATOM 798 CB CYS A 50 -4.223 0.060 2.678 1.00 0.00 C ATOM 799 SG CYS A 50 -3.401 -1.511 3.045 1.00 0.00 S ATOM 0 H CYS A 50 -1.978 0.858 3.701 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.101 0.731 0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.608 0.505 3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.077 -0.108 2.022 1.00 0.00 H new ATOM 804 N ALA A 51 -4.488 2.861 1.062 1.00 0.00 N ATOM 805 CA ALA A 51 -5.032 4.215 1.043 1.00 0.00 C ATOM 806 C ALA A 51 -6.051 4.381 -0.090 1.00 0.00 C ATOM 807 O ALA A 51 -5.781 4.030 -1.238 1.00 0.00 O ATOM 808 CB ALA A 51 -3.888 5.226 0.887 1.00 0.00 C ATOM 0 H ALA A 51 -4.719 2.294 0.246 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.548 4.398 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.295 6.237 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.197 5.125 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.359 5.035 -0.046 1.00 0.00 H new ATOM 814 N ASP A 52 -7.223 4.912 0.253 1.00 0.00 N ATOM 815 CA ASP A 52 -8.294 5.116 -0.724 1.00 0.00 C ATOM 816 C ASP A 52 -8.117 6.456 -1.469 1.00 0.00 C ATOM 817 O ASP A 52 -7.769 7.459 -0.848 1.00 0.00 O ATOM 818 CB ASP A 52 -9.641 5.113 0.018 1.00 0.00 C ATOM 819 CG ASP A 52 -10.785 4.788 -0.934 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.761 3.714 -1.514 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.671 5.616 -1.070 1.00 0.00 O ATOM 0 H ASP A 52 -7.456 5.209 1.200 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.261 4.313 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.615 4.381 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.810 6.087 0.477 1.00 0.00 H new ATOM 826 N PRO A 53 -8.353 6.506 -2.772 1.00 0.00 N ATOM 827 CA PRO A 53 -8.213 7.775 -3.559 1.00 0.00 C ATOM 828 C PRO A 53 -9.277 8.805 -3.185 1.00 0.00 C ATOM 829 O PRO A 53 -10.198 9.072 -3.956 1.00 0.00 O ATOM 830 CB PRO A 53 -8.353 7.318 -5.021 1.00 0.00 C ATOM 831 CG PRO A 53 -9.152 6.059 -4.955 1.00 0.00 C ATOM 832 CD PRO A 53 -8.768 5.383 -3.638 1.00 0.00 C ATOM 0 HA PRO A 53 -7.266 8.279 -3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.856 8.074 -5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.378 7.144 -5.476 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.220 6.273 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.931 5.412 -5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.608 4.837 -3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.959 4.666 -3.778 1.00 0.00 H new ATOM 840 N LYS A 54 -9.133 9.382 -1.994 1.00 0.00 N ATOM 841 CA LYS A 54 -10.073 10.391 -1.511 1.00 0.00 C ATOM 842 C LYS A 54 -9.354 11.391 -0.614 1.00 0.00 C ATOM 843 O LYS A 54 -9.684 12.577 -0.599 1.00 0.00 O ATOM 844 CB LYS A 54 -11.210 9.719 -0.733 1.00 0.00 C ATOM 845 CG LYS A 54 -11.870 8.657 -1.616 1.00 0.00 C ATOM 846 CD LYS A 54 -13.162 8.164 -0.960 1.00 0.00 C ATOM 847 CE LYS A 54 -13.936 7.287 -1.950 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.663 8.155 -2.918 1.00 0.00 N ATOM 0 H LYS A 54 -8.375 9.168 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.491 10.920 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.822 9.262 0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.946 10.463 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.087 9.073 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.187 7.821 -1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.931 7.596 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.774 9.013 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.250 6.627 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.641 6.651 -1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.318 7.575 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.199 8.880 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.980 8.617 -3.551 1.00 0.00 H new ATOM 862 N LYS A 55 -8.356 10.908 0.123 1.00 0.00 N ATOM 863 CA LYS A 55 -7.580 11.772 1.013 1.00 0.00 C ATOM 864 C LYS A 55 -6.525 12.520 0.192 1.00 0.00 C ATOM 865 O LYS A 55 -5.978 11.985 -0.769 1.00 0.00 O ATOM 866 CB LYS A 55 -6.929 10.941 2.152 1.00 0.00 C ATOM 867 CG LYS A 55 -7.428 9.489 2.091 1.00 0.00 C ATOM 868 CD LYS A 55 -6.910 8.700 3.304 1.00 0.00 C ATOM 869 CE LYS A 55 -7.651 9.121 4.583 1.00 0.00 C ATOM 870 NZ LYS A 55 -7.573 8.016 5.580 1.00 0.00 N ATOM 0 H LYS A 55 -8.066 9.930 0.123 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.240 12.501 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.843 10.966 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.175 11.379 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.518 9.471 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.088 9.018 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.046 7.632 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.840 8.870 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.208 10.029 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.692 9.349 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.905 8.358 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.171 7.224 5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.588 7.693 5.664 1.00 0.00 H new ATOM 884 N LYS A 56 -6.276 13.770 0.557 1.00 0.00 N ATOM 885 CA LYS A 56 -5.323 14.606 -0.171 1.00 0.00 C ATOM 886 C LYS A 56 -3.982 13.914 -0.433 1.00 0.00 C ATOM 887 O LYS A 56 -3.547 13.822 -1.580 1.00 0.00 O ATOM 888 CB LYS A 56 -5.080 15.902 0.606 1.00 0.00 C ATOM 889 CG LYS A 56 -4.413 16.935 -0.308 1.00 0.00 C ATOM 890 CD LYS A 56 -3.832 18.071 0.538 1.00 0.00 C ATOM 891 CE LYS A 56 -4.964 18.815 1.250 1.00 0.00 C ATOM 892 NZ LYS A 56 -4.460 20.126 1.749 1.00 0.00 N ATOM 0 H LYS A 56 -6.719 14.230 1.352 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.769 14.812 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.025 16.293 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.447 15.705 1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.623 16.462 -0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.140 17.331 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.131 17.670 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.273 18.760 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.798 18.971 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.340 18.218 2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.229 20.632 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.677 19.966 2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.121 20.696 0.947 1.00 0.00 H new ATOM 906 N TRP A 57 -3.304 13.465 0.622 1.00 0.00 N ATOM 907 CA TRP A 57 -1.994 12.836 0.446 1.00 0.00 C ATOM 908 C TRP A 57 -2.050 11.645 -0.506 1.00 0.00 C ATOM 909 O TRP A 57 -1.038 11.280 -1.104 1.00 0.00 O ATOM 910 CB TRP A 57 -1.401 12.414 1.799 1.00 0.00 C ATOM 911 CG TRP A 57 -2.030 11.150 2.294 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.164 11.085 3.025 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.571 9.773 2.124 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.433 9.760 3.317 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.482 8.914 2.782 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.466 9.193 1.470 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.303 7.530 2.793 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.285 7.800 1.479 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.203 6.970 2.140 1.00 0.00 C ATOM 0 H TRP A 57 -3.629 13.522 1.587 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.342 13.584 -0.005 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.325 12.273 1.699 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.552 13.209 2.529 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.763 11.930 3.331 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.236 9.446 3.861 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.246 9.823 0.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.012 6.895 3.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.565 7.366 0.974 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.059 5.900 2.144 1.00 0.00 H new ATOM 930 N VAL A 58 -3.223 11.041 -0.659 1.00 0.00 N ATOM 931 CA VAL A 58 -3.350 9.901 -1.561 1.00 0.00 C ATOM 932 C VAL A 58 -3.355 10.374 -3.007 1.00 0.00 C ATOM 933 O VAL A 58 -2.560 9.909 -3.816 1.00 0.00 O ATOM 934 CB VAL A 58 -4.633 9.119 -1.264 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.792 7.971 -2.268 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.557 8.543 0.150 1.00 0.00 C ATOM 0 H VAL A 58 -4.083 11.313 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.496 9.242 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.488 9.790 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.707 7.420 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.845 8.376 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.937 7.299 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.469 7.986 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.698 7.877 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.450 9.356 0.869 1.00 0.00 H new ATOM 946 N GLN A 59 -4.250 11.300 -3.329 1.00 0.00 N ATOM 947 CA GLN A 59 -4.333 11.815 -4.689 1.00 0.00 C ATOM 948 C GLN A 59 -3.068 12.597 -5.047 1.00 0.00 C ATOM 949 O GLN A 59 -2.634 12.602 -6.200 1.00 0.00 O ATOM 950 CB GLN A 59 -5.576 12.716 -4.846 1.00 0.00 C ATOM 951 CG GLN A 59 -6.688 12.251 -3.888 1.00 0.00 C ATOM 952 CD GLN A 59 -8.057 12.674 -4.417 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.470 13.819 -4.230 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.788 11.813 -5.070 1.00 0.00 N ATOM 0 H GLN A 59 -4.921 11.705 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.423 10.969 -5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.313 13.753 -4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.933 12.681 -5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.652 11.167 -3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.526 12.677 -2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.444 10.865 -5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.703 12.088 -5.427 1.00 0.00 H new ATOM 963 N ASP A 60 -2.490 13.263 -4.052 1.00 0.00 N ATOM 964 CA ASP A 60 -1.283 14.056 -4.269 1.00 0.00 C ATOM 965 C ASP A 60 -0.052 13.167 -4.447 1.00 0.00 C ATOM 966 O ASP A 60 0.833 13.471 -5.246 1.00 0.00 O ATOM 967 CB ASP A 60 -1.063 14.993 -3.075 1.00 0.00 C ATOM 968 CG ASP A 60 -0.108 16.119 -3.458 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.462 16.901 -4.326 1.00 0.00 O ATOM 970 OD2 ASP A 60 0.963 16.184 -2.878 1.00 0.00 O ATOM 0 H ASP A 60 -2.835 13.270 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.421 14.635 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.016 15.410 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.657 14.432 -2.233 1.00 0.00 H new ATOM 975 N SER A 61 0.005 12.079 -3.686 1.00 0.00 N ATOM 976 CA SER A 61 1.144 11.165 -3.753 1.00 0.00 C ATOM 977 C SER A 61 1.354 10.635 -5.175 1.00 0.00 C ATOM 978 O SER A 61 2.463 10.698 -5.706 1.00 0.00 O ATOM 979 CB SER A 61 0.921 9.996 -2.785 1.00 0.00 C ATOM 980 OG SER A 61 -0.456 9.650 -2.783 1.00 0.00 O ATOM 0 H SER A 61 -0.718 11.808 -3.019 1.00 0.00 H new ATOM 0 HA SER A 61 2.041 11.715 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.524 9.139 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.240 10.274 -1.780 1.00 0.00 H new ATOM 0 HG SER A 61 -0.583 8.809 -3.270 1.00 0.00 H new ATOM 986 N MET A 62 0.296 10.106 -5.785 1.00 0.00 N ATOM 987 CA MET A 62 0.409 9.565 -7.138 1.00 0.00 C ATOM 988 C MET A 62 0.619 10.686 -8.153 1.00 0.00 C ATOM 989 O MET A 62 1.326 10.509 -9.146 1.00 0.00 O ATOM 990 CB MET A 62 -0.847 8.766 -7.501 1.00 0.00 C ATOM 991 CG MET A 62 -2.092 9.563 -7.117 1.00 0.00 C ATOM 992 SD MET A 62 -3.538 8.870 -7.957 1.00 0.00 S ATOM 993 CE MET A 62 -4.027 7.724 -6.646 1.00 0.00 C ATOM 0 H MET A 62 -0.635 10.040 -5.373 1.00 0.00 H new ATOM 0 HA MET A 62 1.273 8.902 -7.165 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.857 8.550 -8.569 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.843 7.807 -6.982 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.237 9.533 -6.037 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.966 10.610 -7.393 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.948 7.216 -6.932 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.238 6.987 -6.494 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.190 8.277 -5.721 1.00 0.00 H new ATOM 1003 N LYS A 63 0.009 11.840 -7.898 1.00 0.00 N ATOM 1004 CA LYS A 63 0.151 12.976 -8.800 1.00 0.00 C ATOM 1005 C LYS A 63 1.619 13.370 -8.899 1.00 0.00 C ATOM 1006 O LYS A 63 2.134 13.638 -9.984 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.679 14.159 -8.283 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.409 15.417 -9.122 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.621 15.115 -10.613 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.844 16.421 -11.380 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.193 16.964 -11.055 1.00 0.00 N ATOM 0 H LYS A 63 -0.581 12.011 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.211 12.698 -9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.740 13.910 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.435 14.353 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.074 16.222 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.611 15.763 -8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.246 14.591 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.480 14.456 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.075 17.147 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.760 16.244 -12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.515 17.580 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.864 16.178 -10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.143 17.513 -10.173 1.00 0.00 H new ATOM 1025 N TYR A 64 2.288 13.386 -7.753 1.00 0.00 N ATOM 1026 CA TYR A 64 3.701 13.730 -7.703 1.00 0.00 C ATOM 1027 C TYR A 64 4.502 12.703 -8.511 1.00 0.00 C ATOM 1028 O TYR A 64 5.511 13.035 -9.133 1.00 0.00 O ATOM 1029 CB TYR A 64 4.150 13.788 -6.218 1.00 0.00 C ATOM 1030 CG TYR A 64 5.507 13.139 -6.006 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.613 13.572 -6.747 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.654 12.109 -5.067 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.864 12.975 -6.551 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.905 11.513 -4.870 1.00 0.00 C ATOM 1035 CZ TYR A 64 8.010 11.946 -5.613 1.00 0.00 C ATOM 1036 OH TYR A 64 9.243 11.359 -5.419 1.00 0.00 O ATOM 0 H TYR A 64 1.874 13.165 -6.847 1.00 0.00 H new ATOM 0 HA TYR A 64 3.880 14.709 -8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.191 14.827 -5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.408 13.288 -5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.501 14.367 -7.470 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.801 11.775 -4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.717 13.308 -7.124 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.018 10.720 -4.146 1.00 0.00 H new ATOM 0 HH TYR A 64 9.170 10.664 -4.732 1.00 0.00 H new ATOM 1046 N LEU A 65 4.037 11.459 -8.499 1.00 0.00 N ATOM 1047 CA LEU A 65 4.707 10.393 -9.235 1.00 0.00 C ATOM 1048 C LEU A 65 4.456 10.544 -10.732 1.00 0.00 C ATOM 1049 O LEU A 65 5.188 9.993 -11.554 1.00 0.00 O ATOM 1050 CB LEU A 65 4.205 9.022 -8.747 1.00 0.00 C ATOM 1051 CG LEU A 65 4.938 8.623 -7.441 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.051 7.692 -6.581 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.265 7.916 -7.790 1.00 0.00 C ATOM 0 H LEU A 65 3.203 11.164 -7.991 1.00 0.00 H new ATOM 0 HA LEU A 65 5.780 10.462 -9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.130 9.060 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.377 8.268 -9.515 1.00 0.00 H new ATOM 0 HG LEU A 65 5.148 9.524 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.583 7.423 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.126 8.207 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.818 6.789 -7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.780 7.635 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.057 7.021 -8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.896 8.591 -8.368 1.00 0.00 H new ATOM 1065 N ASP A 66 3.419 11.292 -11.076 1.00 0.00 N ATOM 1066 CA ASP A 66 3.079 11.512 -12.475 1.00 0.00 C ATOM 1067 C ASP A 66 4.073 12.473 -13.121 1.00 0.00 C ATOM 1068 O ASP A 66 4.376 12.365 -14.309 1.00 0.00 O ATOM 1069 CB ASP A 66 1.662 12.082 -12.572 1.00 0.00 C ATOM 1070 CG ASP A 66 1.096 11.861 -13.973 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.835 10.719 -14.311 1.00 0.00 O ATOM 1072 OD2 ASP A 66 0.932 12.837 -14.685 1.00 0.00 O ATOM 0 H ASP A 66 2.800 11.755 -10.410 1.00 0.00 H new ATOM 0 HA ASP A 66 3.125 10.561 -13.005 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.019 11.604 -11.833 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.675 13.147 -12.342 1.00 0.00 H new ATOM 1077 N GLN A 67 4.571 13.416 -12.329 1.00 0.00 N ATOM 1078 CA GLN A 67 5.526 14.400 -12.827 1.00 0.00 C ATOM 1079 C GLN A 67 6.828 13.730 -13.258 1.00 0.00 C ATOM 1080 O GLN A 67 7.756 14.398 -13.716 1.00 0.00 O ATOM 1081 CB GLN A 67 5.819 15.435 -11.740 1.00 0.00 C ATOM 1082 CG GLN A 67 4.515 16.118 -11.325 1.00 0.00 C ATOM 1083 CD GLN A 67 4.013 17.013 -12.453 1.00 0.00 C ATOM 1084 OE1 GLN A 67 4.667 17.996 -12.804 1.00 0.00 O ATOM 1085 NE2 GLN A 67 2.886 16.729 -13.046 1.00 0.00 N ATOM 0 H GLN A 67 4.331 13.520 -11.343 1.00 0.00 H new ATOM 0 HA GLN A 67 5.086 14.892 -13.695 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.280 14.953 -10.878 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.529 16.175 -12.109 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.763 15.367 -11.083 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.676 16.710 -10.424 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.347 15.914 -12.753 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.544 17.322 -13.803 1.00 0.00 H new ATOM 1094 N LYS A 68 6.895 12.406 -13.112 1.00 0.00 N ATOM 1095 CA LYS A 68 8.093 11.653 -13.492 1.00 0.00 C ATOM 1096 C LYS A 68 7.710 10.348 -14.183 1.00 0.00 C ATOM 1097 O LYS A 68 8.488 9.796 -14.960 1.00 0.00 O ATOM 1098 CB LYS A 68 8.941 11.348 -12.254 1.00 0.00 C ATOM 1099 CG LYS A 68 8.088 10.625 -11.209 1.00 0.00 C ATOM 1100 CD LYS A 68 8.845 10.559 -9.879 1.00 0.00 C ATOM 1101 CE LYS A 68 10.114 9.711 -10.033 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.203 10.547 -10.612 1.00 0.00 N ATOM 0 H LYS A 68 6.139 11.835 -12.735 1.00 0.00 H new ATOM 0 HA LYS A 68 8.673 12.262 -14.185 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.796 10.730 -12.530 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.338 12.273 -11.836 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.141 11.148 -11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.850 9.619 -11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.109 11.565 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.204 10.131 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.420 9.316 -9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.916 8.855 -10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.411 10.225 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.902 11.542 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.058 10.458 -10.026 1.00 0.00 H new ATOM 1116 N SER A 69 6.506 9.861 -13.901 1.00 0.00 N ATOM 1117 CA SER A 69 6.036 8.622 -14.510 1.00 0.00 C ATOM 1118 C SER A 69 7.101 7.528 -14.399 1.00 0.00 C ATOM 1119 O SER A 69 7.904 7.350 -15.314 1.00 0.00 O ATOM 1120 CB SER A 69 5.719 8.864 -15.987 1.00 0.00 C ATOM 1121 OG SER A 69 5.184 7.675 -16.553 1.00 0.00 O ATOM 0 H SER A 69 5.844 10.300 -13.261 1.00 0.00 H new ATOM 0 HA SER A 69 5.138 8.297 -13.984 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.006 9.682 -16.089 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.622 9.160 -16.521 1.00 0.00 H new ATOM 0 HG SER A 69 4.978 7.827 -17.499 1.00 0.00 H new ATOM 1127 N PRO A 70 7.138 6.799 -13.306 1.00 0.00 N ATOM 1128 CA PRO A 70 8.141 5.718 -13.104 1.00 0.00 C ATOM 1129 C PRO A 70 7.726 4.415 -13.787 1.00 0.00 C ATOM 1130 O PRO A 70 6.581 4.265 -14.216 1.00 0.00 O ATOM 1131 CB PRO A 70 8.179 5.565 -11.582 1.00 0.00 C ATOM 1132 CG PRO A 70 6.790 5.898 -11.132 1.00 0.00 C ATOM 1133 CD PRO A 70 6.234 6.916 -12.143 1.00 0.00 C ATOM 0 HA PRO A 70 9.112 5.956 -13.539 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.457 4.551 -11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.912 6.236 -11.135 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.168 5.004 -11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.798 6.316 -10.125 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.204 6.686 -12.414 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.238 7.927 -11.735 1.00 0.00 H new ATOM 1141 N THR A 71 8.663 3.479 -13.886 1.00 0.00 N ATOM 1142 CA THR A 71 8.385 2.195 -14.519 1.00 0.00 C ATOM 1143 C THR A 71 7.619 1.281 -13.557 1.00 0.00 C ATOM 1144 O THR A 71 7.782 1.386 -12.342 1.00 0.00 O ATOM 1145 CB THR A 71 9.703 1.525 -14.923 1.00 0.00 C ATOM 1146 OG1 THR A 71 10.625 1.614 -13.845 1.00 0.00 O ATOM 1147 CG2 THR A 71 10.284 2.230 -16.150 1.00 0.00 C ATOM 0 H THR A 71 9.616 3.584 -13.538 1.00 0.00 H new ATOM 0 HA THR A 71 7.774 2.365 -15.405 1.00 0.00 H new ATOM 0 HB THR A 71 9.519 0.478 -15.163 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.468 1.185 -14.100 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.221 1.751 -16.435 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.577 2.164 -16.977 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.469 3.278 -15.914 1.00 0.00 H new ATOM 1155 N PRO A 72 6.794 0.390 -14.063 1.00 0.00 N ATOM 1156 CA PRO A 72 6.007 -0.545 -13.203 1.00 0.00 C ATOM 1157 C PRO A 72 6.890 -1.632 -12.590 1.00 0.00 C ATOM 1158 O PRO A 72 8.032 -1.828 -13.008 1.00 0.00 O ATOM 1159 CB PRO A 72 4.979 -1.142 -14.174 1.00 0.00 C ATOM 1160 CG PRO A 72 5.648 -1.092 -15.509 1.00 0.00 C ATOM 1161 CD PRO A 72 6.514 0.171 -15.497 1.00 0.00 C ATOM 0 HA PRO A 72 5.548 -0.044 -12.351 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.720 -2.164 -13.898 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.053 -0.568 -14.173 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.256 -1.981 -15.675 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.913 -1.054 -16.313 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.432 0.032 -16.068 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.990 1.020 -15.937 1.00 0.00 H new ATOM 1169 N LYS A 73 6.353 -2.335 -11.598 1.00 0.00 N ATOM 1170 CA LYS A 73 7.099 -3.398 -10.935 1.00 0.00 C ATOM 1171 C LYS A 73 8.517 -2.938 -10.608 1.00 0.00 C ATOM 1172 O LYS A 73 9.494 -3.528 -11.070 1.00 0.00 O ATOM 1173 CB LYS A 73 7.157 -4.634 -11.836 1.00 0.00 C ATOM 1174 CG LYS A 73 7.613 -5.845 -11.018 1.00 0.00 C ATOM 1175 CD LYS A 73 7.574 -7.098 -11.895 1.00 0.00 C ATOM 1176 CE LYS A 73 7.897 -8.327 -11.044 1.00 0.00 C ATOM 1177 NZ LYS A 73 7.885 -9.544 -11.904 1.00 0.00 N ATOM 0 H LYS A 73 5.410 -2.189 -11.237 1.00 0.00 H new ATOM 0 HA LYS A 73 6.588 -3.648 -10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.176 -4.825 -12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.845 -4.461 -12.663 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.623 -5.683 -10.641 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.966 -5.975 -10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.589 -7.206 -12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.293 -7.007 -12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.873 -8.211 -10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.167 -8.429 -10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.105 -10.380 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.944 -9.657 -12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.598 -9.446 -12.655 1.00 0.00 H new ATOM 1191 N PRO A 74 8.644 -1.898 -9.826 1.00 0.00 N ATOM 1192 CA PRO A 74 9.972 -1.344 -9.429 1.00 0.00 C ATOM 1193 C PRO A 74 10.663 -2.215 -8.380 1.00 0.00 C ATOM 1194 O PRO A 74 11.862 -2.065 -8.210 1.00 0.00 O ATOM 1195 CB PRO A 74 9.621 0.039 -8.866 1.00 0.00 C ATOM 1196 CG PRO A 74 8.234 -0.114 -8.325 1.00 0.00 C ATOM 1197 CD PRO A 74 7.533 -1.132 -9.231 1.00 0.00 C ATOM 1198 OXT PRO A 74 9.982 -3.019 -7.763 1.00 0.00 O ATOM 0 HA PRO A 74 10.676 -1.302 -10.260 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.320 0.338 -8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.662 0.804 -9.641 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.255 -0.461 -7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.707 0.840 -8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.862 -1.777 -8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.932 -0.640 -9.996 1.00 0.00 H new TER 1206 PRO A 74 ATOM 1207 N VAL B 208 -2.476 0.577 15.864 1.00 0.00 N ATOM 1208 CA VAL B 208 -1.492 1.647 16.191 1.00 0.00 C ATOM 1209 C VAL B 208 -1.992 2.979 15.643 1.00 0.00 C ATOM 1210 O VAL B 208 -1.302 3.639 14.865 1.00 0.00 O ATOM 1211 CB VAL B 208 -0.138 1.300 15.569 1.00 0.00 C ATOM 1212 CG1 VAL B 208 0.509 0.160 16.355 1.00 0.00 C ATOM 1213 CG2 VAL B 208 -0.344 0.864 14.115 1.00 0.00 C ATOM 0 HA VAL B 208 -1.379 1.725 17.272 1.00 0.00 H new ATOM 0 HB VAL B 208 0.511 2.175 15.600 1.00 0.00 H new ATOM 0 HG11 VAL B 208 1.474 -0.086 15.911 1.00 0.00 H new ATOM 0 HG12 VAL B 208 0.654 0.468 17.390 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -0.139 -0.716 16.325 1.00 0.00 H new ATOM 0 HG21 VAL B 208 0.619 0.616 13.669 1.00 0.00 H new ATOM 0 HG22 VAL B 208 -0.993 -0.011 14.086 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -0.805 1.676 13.553 1.00 0.00 H new ATOM 1225 N GLU B 209 -3.194 3.368 16.054 1.00 0.00 N ATOM 1226 CA GLU B 209 -3.778 4.625 15.597 1.00 0.00 C ATOM 1227 C GLU B 209 -3.940 4.623 14.080 1.00 0.00 C ATOM 1228 O GLU B 209 -5.049 4.478 13.566 1.00 0.00 O ATOM 1229 CB GLU B 209 -2.890 5.797 16.018 1.00 0.00 C ATOM 1230 CG GLU B 209 -2.471 5.624 17.479 1.00 0.00 C ATOM 1231 CD GLU B 209 -3.705 5.485 18.362 1.00 0.00 C ATOM 1232 OE1 GLU B 209 -4.576 6.335 18.267 1.00 0.00 O ATOM 1233 OE2 GLU B 209 -3.763 4.531 19.121 1.00 0.00 O ATOM 0 H GLU B 209 -3.780 2.836 16.698 1.00 0.00 H new ATOM 0 HA GLU B 209 -4.762 4.733 16.054 1.00 0.00 H new ATOM 0 HB2 GLU B 209 -2.008 5.846 15.379 1.00 0.00 H new ATOM 0 HB3 GLU B 209 -3.427 6.737 15.892 1.00 0.00 H new ATOM 0 HG2 GLU B 209 -1.838 4.742 17.583 1.00 0.00 H new ATOM 0 HG3 GLU B 209 -1.879 6.481 17.800 1.00 0.00 H new ATOM 1240 N THR B 210 -2.828 4.785 13.371 1.00 0.00 N ATOM 1241 CA THR B 210 -2.860 4.800 11.912 1.00 0.00 C ATOM 1242 C THR B 210 -3.878 5.819 11.411 1.00 0.00 C ATOM 1243 O THR B 210 -3.534 6.967 11.130 1.00 0.00 O ATOM 1244 CB THR B 210 -3.221 3.410 11.383 1.00 0.00 C ATOM 1245 OG1 THR B 210 -2.220 2.481 11.774 1.00 0.00 O ATOM 1246 CG2 THR B 210 -3.313 3.452 9.857 1.00 0.00 C ATOM 0 H THR B 210 -1.901 4.907 13.778 1.00 0.00 H new ATOM 0 HA THR B 210 -1.872 5.081 11.547 1.00 0.00 H new ATOM 0 HB THR B 210 -4.182 3.102 11.795 1.00 0.00 H new ATOM 0 HG1 THR B 210 -1.538 2.420 11.073 1.00 0.00 H new ATOM 0 HG21 THR B 210 -3.570 2.462 9.481 1.00 0.00 H new ATOM 0 HG22 THR B 210 -4.082 4.165 9.558 1.00 0.00 H new ATOM 0 HG23 THR B 210 -2.353 3.759 9.443 1.00 0.00 H new ATOM 1254 N PHE B 211 -5.132 5.391 11.302 1.00 0.00 N ATOM 1255 CA PHE B 211 -6.194 6.276 10.834 1.00 0.00 C ATOM 1256 C PHE B 211 -6.382 7.440 11.804 1.00 0.00 C ATOM 1257 O PHE B 211 -7.387 7.517 12.511 1.00 0.00 O ATOM 1258 CB PHE B 211 -7.506 5.487 10.709 1.00 0.00 C ATOM 1259 CG PHE B 211 -8.471 6.229 9.813 1.00 0.00 C ATOM 1260 CD1 PHE B 211 -8.418 6.045 8.426 1.00 0.00 C ATOM 1261 CD2 PHE B 211 -9.420 7.095 10.369 1.00 0.00 C ATOM 1262 CE1 PHE B 211 -9.314 6.729 7.595 1.00 0.00 C ATOM 1263 CE2 PHE B 211 -10.315 7.780 9.537 1.00 0.00 C ATOM 1264 CZ PHE B 211 -10.261 7.596 8.150 1.00 0.00 C ATOM 0 H PHE B 211 -5.437 4.444 11.529 1.00 0.00 H new ATOM 0 HA PHE B 211 -5.916 6.675 9.859 1.00 0.00 H new ATOM 0 HB2 PHE B 211 -7.307 4.496 10.301 1.00 0.00 H new ATOM 0 HB3 PHE B 211 -7.949 5.343 11.694 1.00 0.00 H new ATOM 0 HD1 PHE B 211 -7.687 5.376 7.997 1.00 0.00 H new ATOM 0 HD2 PHE B 211 -9.462 7.235 11.439 1.00 0.00 H new ATOM 0 HE1 PHE B 211 -9.274 6.587 6.525 1.00 0.00 H new ATOM 0 HE2 PHE B 211 -11.046 8.450 9.965 1.00 0.00 H new ATOM 0 HZ PHE B 211 -10.951 8.124 7.508 1.00 0.00 H new ATOM 1274 N GLY B 212 -5.406 8.344 11.834 1.00 0.00 N ATOM 1275 CA GLY B 212 -5.474 9.500 12.722 1.00 0.00 C ATOM 1276 C GLY B 212 -4.542 10.608 12.242 1.00 0.00 C ATOM 1277 O GLY B 212 -3.387 10.356 11.898 1.00 0.00 O ATOM 0 H GLY B 212 -4.565 8.299 11.258 1.00 0.00 H new ATOM 0 HA2 GLY B 212 -6.498 9.872 12.764 1.00 0.00 H new ATOM 0 HA3 GLY B 212 -5.201 9.203 13.735 1.00 0.00 H new ATOM 1281 N THR B 213 -5.052 11.834 12.223 1.00 0.00 N ATOM 1282 CA THR B 213 -4.257 12.976 11.782 1.00 0.00 C ATOM 1283 C THR B 213 -2.976 13.090 12.602 1.00 0.00 C ATOM 1284 O THR B 213 -2.996 13.555 13.742 1.00 0.00 O ATOM 1285 CB THR B 213 -5.071 14.264 11.924 1.00 0.00 C ATOM 1286 OG1 THR B 213 -6.376 14.057 11.401 1.00 0.00 O ATOM 1287 CG2 THR B 213 -4.384 15.391 11.153 1.00 0.00 C ATOM 0 H THR B 213 -6.005 12.063 12.505 1.00 0.00 H new ATOM 0 HA THR B 213 -3.991 12.826 10.736 1.00 0.00 H new ATOM 0 HB THR B 213 -5.140 14.537 12.977 1.00 0.00 H new ATOM 0 HG1 THR B 213 -6.900 14.880 11.493 1.00 0.00 H new ATOM 0 HG21 THR B 213 -4.965 16.308 11.255 1.00 0.00 H new ATOM 0 HG22 THR B 213 -3.383 15.549 11.554 1.00 0.00 H new ATOM 0 HG23 THR B 213 -4.314 15.121 10.099 1.00 0.00 H new ATOM 1295 N THR B 214 -1.862 12.663 12.013 1.00 0.00 N ATOM 1296 CA THR B 214 -0.574 12.722 12.697 1.00 0.00 C ATOM 1297 C THR B 214 0.561 12.437 11.720 1.00 0.00 C ATOM 1298 O THR B 214 0.348 11.853 10.658 1.00 0.00 O ATOM 1299 CB THR B 214 -0.539 11.700 13.836 1.00 0.00 C ATOM 1300 OG1 THR B 214 -1.524 12.036 14.804 1.00 0.00 O ATOM 1301 CG2 THR B 214 0.844 11.707 14.489 1.00 0.00 C ATOM 0 H THR B 214 -1.825 12.275 11.070 1.00 0.00 H new ATOM 0 HA THR B 214 -0.445 13.724 13.106 1.00 0.00 H new ATOM 0 HB THR B 214 -0.745 10.706 13.438 1.00 0.00 H new ATOM 0 HG1 THR B 214 -1.847 12.947 14.640 1.00 0.00 H new ATOM 0 HG21 THR B 214 0.867 10.979 15.300 1.00 0.00 H new ATOM 0 HG22 THR B 214 1.598 11.447 13.746 1.00 0.00 H new ATOM 0 HG23 THR B 214 1.053 12.700 14.887 1.00 0.00 H new ATOM 1309 N SER B 215 1.770 12.854 12.084 1.00 0.00 N ATOM 1310 CA SER B 215 2.932 12.636 11.230 1.00 0.00 C ATOM 1311 C SER B 215 3.063 11.158 10.874 1.00 0.00 C ATOM 1312 O SER B 215 2.145 10.373 11.101 1.00 0.00 O ATOM 1313 CB SER B 215 4.202 13.105 11.940 1.00 0.00 C ATOM 1314 OG SER B 215 3.962 14.367 12.548 1.00 0.00 O ATOM 0 H SER B 215 1.970 13.341 12.958 1.00 0.00 H new ATOM 0 HA SER B 215 2.797 13.211 10.314 1.00 0.00 H new ATOM 0 HB2 SER B 215 4.501 12.376 12.694 1.00 0.00 H new ATOM 0 HB3 SER B 215 5.023 13.182 11.228 1.00 0.00 H new ATOM 0 HG SER B 215 4.774 14.669 13.006 1.00 0.00 H new HETATM 1320 N TYS B 216 4.211 10.788 10.318 1.00 0.00 N HETATM 1321 CA TYS B 216 4.454 9.400 9.935 1.00 0.00 C HETATM 1322 CB TYS B 216 3.783 9.120 8.570 1.00 0.00 C HETATM 1323 CG TYS B 216 3.188 7.723 8.536 1.00 0.00 C HETATM 1324 CD1 TYS B 216 3.624 6.793 7.584 1.00 0.00 C HETATM 1325 CD2 TYS B 216 2.195 7.363 9.459 1.00 0.00 C HETATM 1326 CE1 TYS B 216 3.070 5.506 7.558 1.00 0.00 C HETATM 1327 CE2 TYS B 216 1.645 6.076 9.430 1.00 0.00 C HETATM 1328 CZ TYS B 216 2.081 5.149 8.481 1.00 0.00 C HETATM 1329 OH TYS B 216 1.537 3.885 8.452 1.00 0.00 O HETATM 1330 S TYS B 216 0.020 3.705 8.296 1.00 0.00 S HETATM 1331 O1 TYS B 216 -0.659 5.015 8.506 1.00 0.00 O HETATM 1332 O2 TYS B 216 -0.284 3.202 6.927 1.00 0.00 O HETATM 1333 O3 TYS B 216 -0.470 2.726 9.306 1.00 0.00 O HETATM 1334 C TYS B 216 5.961 9.136 9.873 1.00 0.00 C HETATM 1335 O TYS B 216 6.664 9.685 9.026 1.00 0.00 O HETATM 0 HO3 TYS B 216 0.217 2.593 9.992 1.00 0.00 H new HETATM 0 HE2 TYS B 216 0.875 5.797 10.149 1.00 0.00 H new HETATM 0 HE1 TYS B 216 3.410 4.782 6.818 1.00 0.00 H new HETATM 0 HD2 TYS B 216 1.851 8.086 10.199 1.00 0.00 H new HETATM 0 HD1 TYS B 216 4.394 7.070 6.864 1.00 0.00 H new HETATM 0 HB3 TYS B 216 3.001 9.857 8.386 1.00 0.00 H new HETATM 0 HB2 TYS B 216 4.516 9.227 7.771 1.00 0.00 H new HETATM 0 HA TYS B 216 4.023 8.729 10.678 1.00 0.00 H new HETATM 1344 N TYS B 217 6.446 8.309 10.796 1.00 0.00 N HETATM 1345 CA TYS B 217 7.870 7.992 10.864 1.00 0.00 C HETATM 1346 CB TYS B 217 8.359 7.351 9.560 1.00 0.00 C HETATM 1347 CG TYS B 217 7.437 6.225 9.131 1.00 0.00 C HETATM 1348 CD1 TYS B 217 6.907 6.212 7.830 1.00 0.00 C HETATM 1349 CD2 TYS B 217 7.122 5.185 10.020 1.00 0.00 C HETATM 1350 CE1 TYS B 217 6.068 5.168 7.424 1.00 0.00 C HETATM 1351 CE2 TYS B 217 6.280 4.144 9.612 1.00 0.00 C HETATM 1352 CZ TYS B 217 5.752 4.134 8.315 1.00 0.00 C HETATM 1353 OH TYS B 217 4.926 3.107 7.912 1.00 0.00 O HETATM 1354 S TYS B 217 3.932 2.481 8.904 1.00 0.00 S HETATM 1355 O1 TYS B 217 3.443 3.528 9.846 1.00 0.00 O HETATM 1356 O2 TYS B 217 2.778 1.906 8.157 1.00 0.00 O HETATM 1357 O3 TYS B 217 4.612 1.402 9.673 1.00 0.00 O HETATM 1358 C TYS B 217 8.678 9.257 11.135 1.00 0.00 C HETATM 1359 O TYS B 217 9.855 9.340 10.784 1.00 0.00 O HETATM 0 HO3 TYS B 217 3.979 1.003 10.306 1.00 0.00 H new HETATM 0 HE2 TYS B 217 6.035 3.339 10.305 1.00 0.00 H new HETATM 0 HE1 TYS B 217 5.660 5.159 6.413 1.00 0.00 H new HETATM 0 HD2 TYS B 217 7.534 5.188 11.029 1.00 0.00 H new HETATM 0 HD1 TYS B 217 7.150 7.016 7.136 1.00 0.00 H new HETATM 0 HB3 TYS B 217 8.408 8.106 8.775 1.00 0.00 H new HETATM 0 HB2 TYS B 217 9.370 6.967 9.696 1.00 0.00 H new HETATM 0 HA TYS B 217 8.013 7.281 11.678 1.00 0.00 H new ATOM 1368 N ASP B 218 8.041 10.239 11.766 1.00 0.00 N ATOM 1369 CA ASP B 218 8.715 11.492 12.083 1.00 0.00 C ATOM 1370 C ASP B 218 10.001 11.218 12.855 1.00 0.00 C ATOM 1371 O ASP B 218 11.064 11.739 12.515 1.00 0.00 O ATOM 1372 CB ASP B 218 7.797 12.385 12.917 1.00 0.00 C ATOM 1373 CG ASP B 218 8.340 13.810 12.946 1.00 0.00 C ATOM 1374 OD1 ASP B 218 8.449 14.403 11.885 1.00 0.00 O ATOM 1375 OD2 ASP B 218 8.640 14.288 14.028 1.00 0.00 O ATOM 0 H ASP B 218 7.067 10.192 12.065 1.00 0.00 H new ATOM 0 HA ASP B 218 8.960 12.000 11.151 1.00 0.00 H new ATOM 0 HB2 ASP B 218 6.791 12.379 12.497 1.00 0.00 H new ATOM 0 HB3 ASP B 218 7.721 11.995 13.932 1.00 0.00 H new ATOM 1380 N ASP B 219 9.895 10.394 13.891 1.00 0.00 N ATOM 1381 CA ASP B 219 11.056 10.052 14.703 1.00 0.00 C ATOM 1382 C ASP B 219 11.991 9.131 13.928 1.00 0.00 C ATOM 1383 O ASP B 219 13.166 8.995 14.266 1.00 0.00 O ATOM 1384 CB ASP B 219 10.607 9.361 15.992 1.00 0.00 C ATOM 1385 CG ASP B 219 9.906 10.362 16.904 1.00 0.00 C ATOM 1386 OD1 ASP B 219 10.506 11.380 17.205 1.00 0.00 O ATOM 1387 OD2 ASP B 219 8.779 10.096 17.287 1.00 0.00 O ATOM 0 H ASP B 219 9.024 9.953 14.187 1.00 0.00 H new ATOM 0 HA ASP B 219 11.589 10.970 14.952 1.00 0.00 H new ATOM 0 HB2 ASP B 219 9.933 8.537 15.757 1.00 0.00 H new ATOM 0 HB3 ASP B 219 11.469 8.932 16.503 1.00 0.00 H new ATOM 1392 N VAL B 220 11.459 8.502 12.884 1.00 0.00 N ATOM 1393 CA VAL B 220 12.254 7.596 12.066 1.00 0.00 C ATOM 1394 C VAL B 220 12.872 6.504 12.932 1.00 0.00 C ATOM 1395 O VAL B 220 12.953 6.640 14.153 1.00 0.00 O ATOM 1396 CB VAL B 220 13.355 8.375 11.346 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.121 7.437 10.410 1.00 0.00 C ATOM 1398 CG2 VAL B 220 12.722 9.508 10.531 1.00 0.00 C ATOM 0 H VAL B 220 10.488 8.603 12.587 1.00 0.00 H new ATOM 0 HA VAL B 220 11.603 7.130 11.326 1.00 0.00 H new ATOM 0 HB VAL B 220 14.045 8.793 12.079 1.00 0.00 H new ATOM 0 HG11 VAL B 220 14.905 7.995 9.898 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.569 6.630 10.990 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.435 7.017 9.674 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.504 10.066 10.016 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.033 9.088 9.798 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.179 10.177 11.199 1.00 0.00 H new ATOM 1408 N GLY B 221 13.296 5.418 12.298 1.00 0.00 N ATOM 1409 CA GLY B 221 13.892 4.307 13.030 1.00 0.00 C ATOM 1410 C GLY B 221 12.836 3.599 13.869 1.00 0.00 C ATOM 1411 O GLY B 221 13.088 2.537 14.440 1.00 0.00 O ATOM 0 H GLY B 221 13.239 5.283 11.289 1.00 0.00 H new ATOM 0 HA2 GLY B 221 14.343 3.603 12.331 1.00 0.00 H new ATOM 0 HA3 GLY B 221 14.692 4.674 13.674 1.00 0.00 H new ATOM 1415 N LEU B 222 11.650 4.196 13.934 1.00 0.00 N ATOM 1416 CA LEU B 222 10.551 3.624 14.698 1.00 0.00 C ATOM 1417 C LEU B 222 10.023 2.374 14.004 1.00 0.00 C ATOM 1418 O LEU B 222 9.567 1.435 14.656 1.00 0.00 O ATOM 1419 CB LEU B 222 9.428 4.667 14.844 1.00 0.00 C ATOM 1420 CG LEU B 222 8.133 4.013 15.407 1.00 0.00 C ATOM 1421 CD1 LEU B 222 7.463 4.952 16.418 1.00 0.00 C ATOM 1422 CD2 LEU B 222 7.135 3.731 14.270 1.00 0.00 C ATOM 0 H LEU B 222 11.427 5.075 13.467 1.00 0.00 H new ATOM 0 HA LEU B 222 10.910 3.344 15.688 1.00 0.00 H new ATOM 0 HB2 LEU B 222 9.754 5.468 15.508 1.00 0.00 H new ATOM 0 HB3 LEU B 222 9.219 5.121 13.875 1.00 0.00 H new ATOM 0 HG LEU B 222 8.412 3.078 15.893 1.00 0.00 H new ATOM 0 HD11 LEU B 222 6.558 4.484 16.805 1.00 0.00 H new ATOM 0 HD12 LEU B 222 8.150 5.150 17.241 1.00 0.00 H new ATOM 0 HD13 LEU B 222 7.205 5.890 15.927 1.00 0.00 H new ATOM 0 HD21 LEU B 222 6.235 3.274 14.681 1.00 0.00 H new ATOM 0 HD22 LEU B 222 6.873 4.666 13.775 1.00 0.00 H new ATOM 0 HD23 LEU B 222 7.589 3.053 13.547 1.00 0.00 H new ATOM 1434 N LEU B 223 10.087 2.373 12.677 1.00 0.00 N ATOM 1435 CA LEU B 223 9.613 1.236 11.898 1.00 0.00 C ATOM 1436 C LEU B 223 10.199 -0.070 12.431 1.00 0.00 C ATOM 1437 O LEU B 223 10.948 -0.013 13.392 1.00 0.00 O ATOM 1438 CB LEU B 223 9.983 1.424 10.418 1.00 0.00 C ATOM 1439 CG LEU B 223 11.476 1.149 10.186 1.00 0.00 C ATOM 1440 CD1 LEU B 223 11.848 1.559 8.760 1.00 0.00 C ATOM 1441 CD2 LEU B 223 12.317 1.960 11.179 1.00 0.00 C ATOM 1442 OXT LEU B 223 9.888 -1.107 11.869 1.00 0.00 O ATOM 0 H LEU B 223 10.460 3.142 12.121 1.00 0.00 H new ATOM 0 HA LEU B 223 8.528 1.182 11.989 1.00 0.00 H new ATOM 0 HB2 LEU B 223 9.386 0.752 9.802 1.00 0.00 H new ATOM 0 HB3 LEU B 223 9.744 2.441 10.106 1.00 0.00 H new ATOM 0 HG LEU B 223 11.672 0.087 10.331 1.00 0.00 H new ATOM 0 HD11 LEU B 223 12.907 1.366 8.590 1.00 0.00 H new ATOM 0 HD12 LEU B 223 11.256 0.983 8.049 1.00 0.00 H new ATOM 0 HD13 LEU B 223 11.647 2.621 8.623 1.00 0.00 H new ATOM 0 HD21 LEU B 223 13.375 1.760 11.008 1.00 0.00 H new ATOM 0 HD22 LEU B 223 12.122 3.023 11.038 1.00 0.00 H new ATOM 0 HD23 LEU B 223 12.053 1.674 12.197 1.00 0.00 H new TER 1454 LEU B 223