USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1030 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 SER OG : rot 101:sc= 0.742 USER MOD Set 1.2: B 74 LYS NZ :NH3+ -158:sc=-0.00145 (180deg=-1.25) USER MOD Set 2.1: B 20 THR OG1 : rot 30:sc= -2.63! USER MOD Set 2.2: B 68 SER OG : rot -99:sc= -3.11 USER MOD Set 3.1: B 12 TYR OH : rot -62:sc= 0.175 USER MOD Set 3.2: B 67 SER OG : rot -139:sc= -1.04! USER MOD Set 4.1: B 21 GLN : amide:sc= -5.49! C(o=-4.3!,f=-5.2!) USER MOD Set 4.2: B 24 SER OG : rot -127:sc= 1.21 USER MOD Set 5.1: A 23 SER OG : rot 100:sc= 0.759 USER MOD Set 5.2: A 74 LYS NZ :NH3+ -159:sc= -0.0566 (180deg=-1.28) USER MOD Set 6.1: A 21 GLN : amide:sc= -5.4! C(o=-4.1!,f=-5!) USER MOD Set 6.2: A 24 SER OG : rot -156:sc= 1.32 USER MOD Set 7.1: A 20 THR OG1 : rot 34:sc= -2.45! USER MOD Set 7.2: A 68 SER OG : rot -95:sc= -3.19 USER MOD Set 8.1: A 12 TYR OH : rot -63:sc= 0.143 USER MOD Set 8.2: A 67 SER OG : rot -137:sc= -1.05! USER MOD Single : A 1 ASP N :NH3+ 130:sc= 0.0685 (180deg=-0.0473) USER MOD Single : A 2 GLN : amide:sc= -4.06! C(o=-4.1!,f=-3.7!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0489 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -15.4! C(o=-22!,f=-15!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.629 F(o=-7.8!,f=-0.63) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0655 USER MOD Single : A 40 SER OG : rot 35:sc= 0.39 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -47:sc= 0.183 USER MOD Single : A 66 THR OG1 : rot -83:sc= -3.17! USER MOD Single : A 70 THR OG1 : rot -156:sc= 2.06 USER MOD Single : B 1 ASP N :NH3+ 130:sc= 0.0866 (180deg=-0.0421) USER MOD Single : B 2 GLN :FLIP amide:sc= -3.63! C(o=-4.1!,f=-3.6!) USER MOD Single : B 4 SER OG : rot 180:sc= -0.071 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 ASN :FLIP amide:sc= -15.7! C(o=-22!,f=-16!) USER MOD Single : B 27 ASN :FLIP amide:sc= -0.661 F(o=-7.7!,f=-0.66) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= -0.0787 USER MOD Single : B 40 SER OG : rot 38:sc= 0.373 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 64 THR OG1 : rot -50:sc= 0.17 USER MOD Single : B 66 THR OG1 : rot -74:sc= -3.25! USER MOD Single : B 70 THR OG1 : rot -156:sc= 1.99 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.075 13.355 1.587 1.00 0.00 N ATOM 2 CA ASP A 1 -10.148 12.506 1.008 1.00 0.00 C ATOM 3 C ASP A 1 -10.066 12.492 -0.514 1.00 0.00 C ATOM 4 O ASP A 1 -9.402 13.336 -1.117 1.00 0.00 O ATOM 5 CB ASP A 1 -11.521 13.019 1.447 1.00 0.00 C ATOM 6 CG ASP A 1 -11.780 14.440 0.987 1.00 0.00 C ATOM 7 OD1 ASP A 1 -12.254 14.618 -0.154 1.00 0.00 O ATOM 8 OD2 ASP A 1 -11.508 15.376 1.768 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.489 14.019 2.272 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.377 12.752 2.068 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.607 13.889 0.827 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.010 11.488 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -12.295 12.364 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.593 12.973 2.534 1.00 0.00 H new ATOM 15 N GLN A 2 -10.744 11.528 -1.129 1.00 0.00 N ATOM 16 CA GLN A 2 -10.750 11.407 -2.582 1.00 0.00 C ATOM 17 C GLN A 2 -12.174 11.523 -3.129 1.00 0.00 C ATOM 18 O GLN A 2 -13.110 10.956 -2.564 1.00 0.00 O ATOM 19 CB GLN A 2 -10.121 10.079 -3.005 1.00 0.00 C ATOM 20 CG GLN A 2 -8.626 10.013 -2.757 1.00 0.00 C ATOM 21 CD GLN A 2 -7.844 10.967 -3.638 1.00 0.00 C ATOM 22 OE1 GLN A 2 -8.252 11.270 -4.760 1.00 0.00 O ATOM 23 NE2 GLN A 2 -6.715 11.446 -3.132 1.00 0.00 N ATOM 0 H GLN A 2 -11.296 10.820 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.158 12.222 -2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.607 9.267 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.313 9.916 -4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.425 10.244 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.277 8.995 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.416 11.167 -2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.146 12.093 -3.677 1.00 0.00 H new ATOM 32 N PRO A 3 -12.354 12.261 -4.246 1.00 0.00 N ATOM 33 CA PRO A 3 -13.671 12.463 -4.863 1.00 0.00 C ATOM 34 C PRO A 3 -14.384 11.157 -5.196 1.00 0.00 C ATOM 35 O PRO A 3 -15.612 11.092 -5.161 1.00 0.00 O ATOM 36 CB PRO A 3 -13.357 13.236 -6.147 1.00 0.00 C ATOM 37 CG PRO A 3 -12.052 13.898 -5.880 1.00 0.00 C ATOM 38 CD PRO A 3 -11.289 12.956 -4.995 1.00 0.00 C ATOM 0 HA PRO A 3 -14.347 12.984 -4.185 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.294 12.568 -7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.134 13.968 -6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.512 14.087 -6.808 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.195 14.863 -5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.684 12.259 -5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.611 13.489 -4.329 1.00 0.00 H new ATOM 46 N SER A 4 -13.618 10.121 -5.525 1.00 0.00 N ATOM 47 CA SER A 4 -14.205 8.828 -5.864 1.00 0.00 C ATOM 48 C SER A 4 -13.237 7.705 -5.563 1.00 0.00 C ATOM 49 O SER A 4 -12.124 7.952 -5.118 1.00 0.00 O ATOM 50 CB SER A 4 -14.579 8.792 -7.343 1.00 0.00 C ATOM 51 OG SER A 4 -15.397 7.674 -7.638 1.00 0.00 O ATOM 0 H SER A 4 -12.599 10.150 -5.564 1.00 0.00 H new ATOM 0 HA SER A 4 -15.101 8.693 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 4 -15.103 9.710 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.674 8.753 -7.949 1.00 0.00 H new ATOM 0 HG SER A 4 -15.623 7.677 -8.592 1.00 0.00 H new ATOM 57 N VAL A 5 -13.662 6.471 -5.801 1.00 0.00 N ATOM 58 CA VAL A 5 -12.798 5.330 -5.555 1.00 0.00 C ATOM 59 C VAL A 5 -11.792 5.177 -6.693 1.00 0.00 C ATOM 60 O VAL A 5 -10.588 5.087 -6.458 1.00 0.00 O ATOM 61 CB VAL A 5 -13.597 4.013 -5.361 1.00 0.00 C ATOM 62 CG1 VAL A 5 -15.071 4.297 -5.077 1.00 0.00 C ATOM 63 CG2 VAL A 5 -13.429 3.076 -6.557 1.00 0.00 C ATOM 0 H VAL A 5 -14.588 6.239 -6.160 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.266 5.522 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.186 3.504 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.604 3.355 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.158 4.893 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.504 4.845 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.001 2.164 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.790 3.569 -7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.375 2.826 -6.678 1.00 0.00 H new ATOM 73 N GLY A 6 -12.292 5.161 -7.929 1.00 0.00 N ATOM 74 CA GLY A 6 -11.418 5.022 -9.076 1.00 0.00 C ATOM 75 C GLY A 6 -10.538 6.240 -9.250 1.00 0.00 C ATOM 76 O GLY A 6 -9.343 6.120 -9.525 1.00 0.00 O ATOM 0 H GLY A 6 -13.284 5.242 -8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.795 4.136 -8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.016 4.872 -9.975 1.00 0.00 H new ATOM 80 N ASP A 7 -11.136 7.416 -9.090 1.00 0.00 N ATOM 81 CA ASP A 7 -10.399 8.666 -9.202 1.00 0.00 C ATOM 82 C ASP A 7 -9.367 8.743 -8.093 1.00 0.00 C ATOM 83 O ASP A 7 -8.279 9.290 -8.275 1.00 0.00 O ATOM 84 CB ASP A 7 -11.350 9.858 -9.109 1.00 0.00 C ATOM 85 CG ASP A 7 -12.299 9.936 -10.289 1.00 0.00 C ATOM 86 OD1 ASP A 7 -13.338 9.243 -10.260 1.00 0.00 O ATOM 87 OD2 ASP A 7 -12.003 10.688 -11.240 1.00 0.00 O ATOM 0 H ASP A 7 -12.128 7.528 -8.883 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.899 8.697 -10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.927 9.788 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.769 10.779 -9.052 1.00 0.00 H new ATOM 92 N ALA A 8 -9.727 8.194 -6.938 1.00 0.00 N ATOM 93 CA ALA A 8 -8.832 8.176 -5.796 1.00 0.00 C ATOM 94 C ALA A 8 -7.511 7.560 -6.191 1.00 0.00 C ATOM 95 O ALA A 8 -6.443 8.112 -5.933 1.00 0.00 O ATOM 96 CB ALA A 8 -9.421 7.364 -4.668 1.00 0.00 C ATOM 0 H ALA A 8 -10.633 7.757 -6.772 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.686 9.204 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.733 7.364 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.372 7.801 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.584 6.340 -5.003 1.00 0.00 H new ATOM 102 N PHE A 9 -7.610 6.395 -6.821 1.00 0.00 N ATOM 103 CA PHE A 9 -6.452 5.664 -7.266 1.00 0.00 C ATOM 104 C PHE A 9 -5.544 6.557 -8.091 1.00 0.00 C ATOM 105 O PHE A 9 -4.393 6.735 -7.744 1.00 0.00 O ATOM 106 CB PHE A 9 -6.886 4.433 -8.047 1.00 0.00 C ATOM 107 CG PHE A 9 -7.069 3.249 -7.157 1.00 0.00 C ATOM 108 CD1 PHE A 9 -6.019 2.391 -6.882 1.00 0.00 C ATOM 109 CD2 PHE A 9 -8.293 3.015 -6.567 1.00 0.00 C ATOM 110 CE1 PHE A 9 -6.195 1.320 -6.031 1.00 0.00 C ATOM 111 CE2 PHE A 9 -8.473 1.946 -5.723 1.00 0.00 C ATOM 112 CZ PHE A 9 -7.426 1.101 -5.452 1.00 0.00 C ATOM 0 H PHE A 9 -8.498 5.940 -7.033 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.882 5.331 -6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.820 4.644 -8.568 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.140 4.204 -8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.054 2.561 -7.337 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.120 3.680 -6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.371 0.655 -5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.439 1.771 -5.273 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.567 0.264 -4.784 1.00 0.00 H new ATOM 122 N ASP A 10 -6.086 7.199 -9.120 1.00 0.00 N ATOM 123 CA ASP A 10 -5.277 8.058 -9.980 1.00 0.00 C ATOM 124 C ASP A 10 -4.347 8.914 -9.129 1.00 0.00 C ATOM 125 O ASP A 10 -3.136 8.992 -9.373 1.00 0.00 O ATOM 126 CB ASP A 10 -6.187 8.945 -10.825 1.00 0.00 C ATOM 127 CG ASP A 10 -6.214 8.528 -12.282 1.00 0.00 C ATOM 128 OD1 ASP A 10 -5.242 8.834 -13.005 1.00 0.00 O ATOM 129 OD2 ASP A 10 -7.205 7.893 -12.701 1.00 0.00 O ATOM 0 H ASP A 10 -7.071 7.143 -9.378 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.674 7.438 -10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.199 8.910 -10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.850 9.979 -10.753 1.00 0.00 H new ATOM 134 N LYS A 11 -4.928 9.518 -8.107 1.00 0.00 N ATOM 135 CA LYS A 11 -4.186 10.351 -7.174 1.00 0.00 C ATOM 136 C LYS A 11 -3.147 9.511 -6.445 1.00 0.00 C ATOM 137 O LYS A 11 -1.978 9.882 -6.342 1.00 0.00 O ATOM 138 CB LYS A 11 -5.138 10.974 -6.167 1.00 0.00 C ATOM 139 CG LYS A 11 -4.538 12.124 -5.414 1.00 0.00 C ATOM 140 CD LYS A 11 -5.152 13.366 -5.944 1.00 0.00 C ATOM 141 CE LYS A 11 -4.304 14.596 -5.668 1.00 0.00 C ATOM 142 NZ LYS A 11 -4.875 15.817 -6.301 1.00 0.00 N ATOM 0 H LYS A 11 -5.924 9.446 -7.900 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.683 11.143 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.032 11.317 -6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.455 10.210 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.730 12.026 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.456 12.145 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.300 13.264 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.137 13.500 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.225 14.748 -4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.293 14.432 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.268 16.634 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.927 15.682 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.830 15.989 -5.925 1.00 0.00 H new ATOM 156 N TYR A 12 -3.605 8.371 -5.944 1.00 0.00 N ATOM 157 CA TYR A 12 -2.761 7.437 -5.217 1.00 0.00 C ATOM 158 C TYR A 12 -1.591 6.971 -6.039 1.00 0.00 C ATOM 159 O TYR A 12 -0.448 7.168 -5.672 1.00 0.00 O ATOM 160 CB TYR A 12 -3.539 6.185 -4.839 1.00 0.00 C ATOM 161 CG TYR A 12 -2.807 5.331 -3.821 1.00 0.00 C ATOM 162 CD1 TYR A 12 -1.992 5.914 -2.853 1.00 0.00 C ATOM 163 CD2 TYR A 12 -2.919 3.945 -3.830 1.00 0.00 C ATOM 164 CE1 TYR A 12 -1.314 5.145 -1.930 1.00 0.00 C ATOM 165 CE2 TYR A 12 -2.241 3.173 -2.910 1.00 0.00 C ATOM 166 CZ TYR A 12 -1.439 3.775 -1.964 1.00 0.00 C ATOM 167 OH TYR A 12 -0.762 3.002 -1.049 1.00 0.00 O ATOM 0 H TYR A 12 -4.575 8.069 -6.032 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.415 7.978 -4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.510 6.473 -4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.728 5.594 -5.735 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.889 6.989 -2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.546 3.466 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.689 5.615 -1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.338 2.098 -2.931 1.00 0.00 H new ATOM 0 HH TYR A 12 0.203 3.119 -1.172 1.00 0.00 H new ATOM 177 N ASN A 13 -1.915 6.372 -7.167 1.00 0.00 N ATOM 178 CA ASN A 13 -0.932 5.785 -8.058 1.00 0.00 C ATOM 179 C ASN A 13 0.320 6.627 -8.159 1.00 0.00 C ATOM 180 O ASN A 13 1.415 6.155 -7.861 1.00 0.00 O ATOM 181 CB ASN A 13 -1.515 5.621 -9.451 1.00 0.00 C ATOM 182 CG ASN A 13 -3.001 5.288 -9.475 1.00 0.00 C ATOM 183 OD1 ASN A 13 -3.521 4.679 -8.408 1.00 0.00 O flip ATOM 184 ND2 ASN A 13 -3.684 5.573 -10.458 1.00 0.00 N flip ATOM 0 H ASN A 13 -2.876 6.278 -7.495 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.667 4.815 -7.638 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.352 6.542 -10.011 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.970 4.832 -9.970 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.256 6.039 -11.258 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.678 5.344 -10.472 1.00 0.00 H new ATOM 191 N GLU A 14 0.166 7.862 -8.583 1.00 0.00 N ATOM 192 CA GLU A 14 1.312 8.746 -8.700 1.00 0.00 C ATOM 193 C GLU A 14 2.058 8.795 -7.359 1.00 0.00 C ATOM 194 O GLU A 14 3.287 8.724 -7.297 1.00 0.00 O ATOM 195 CB GLU A 14 0.836 10.144 -9.107 1.00 0.00 C ATOM 196 CG GLU A 14 0.491 11.029 -7.925 1.00 0.00 C ATOM 197 CD GLU A 14 -0.454 12.158 -8.291 1.00 0.00 C ATOM 198 OE1 GLU A 14 -1.682 11.938 -8.261 1.00 0.00 O ATOM 199 OE2 GLU A 14 0.036 13.263 -8.607 1.00 0.00 O ATOM 0 H GLU A 14 -0.727 8.276 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 14 1.994 8.373 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.614 10.627 -9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.040 10.049 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.037 10.421 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.408 11.449 -7.511 1.00 0.00 H new ATOM 206 N ALA A 15 1.271 8.841 -6.292 1.00 0.00 N ATOM 207 CA ALA A 15 1.767 8.939 -4.927 1.00 0.00 C ATOM 208 C ALA A 15 2.389 7.653 -4.402 1.00 0.00 C ATOM 209 O ALA A 15 3.379 7.696 -3.671 1.00 0.00 O ATOM 210 CB ALA A 15 0.608 9.318 -4.021 1.00 0.00 C ATOM 0 H ALA A 15 0.253 8.811 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 15 2.556 9.691 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.961 9.396 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.197 10.277 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.166 8.553 -4.082 1.00 0.00 H new ATOM 216 N VAL A 16 1.820 6.512 -4.762 1.00 0.00 N ATOM 217 CA VAL A 16 2.301 5.260 -4.239 1.00 0.00 C ATOM 218 C VAL A 16 3.411 4.694 -5.053 1.00 0.00 C ATOM 219 O VAL A 16 4.430 4.253 -4.521 1.00 0.00 O ATOM 220 CB VAL A 16 1.171 4.239 -4.076 1.00 0.00 C ATOM 221 CG1 VAL A 16 0.203 4.312 -5.236 1.00 0.00 C ATOM 222 CG2 VAL A 16 1.720 2.832 -3.904 1.00 0.00 C ATOM 0 H VAL A 16 1.034 6.436 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 16 2.702 5.478 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 16 0.623 4.491 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.589 3.577 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.232 5.310 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.732 4.102 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.894 2.130 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.308 2.561 -4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.352 2.794 -3.017 1.00 0.00 H new ATOM 232 N ARG A 17 3.214 4.700 -6.339 1.00 0.00 N ATOM 233 CA ARG A 17 4.201 4.173 -7.221 1.00 0.00 C ATOM 234 C ARG A 17 5.538 4.801 -6.979 1.00 0.00 C ATOM 235 O ARG A 17 6.573 4.134 -7.036 1.00 0.00 O ATOM 236 CB ARG A 17 3.736 4.290 -8.663 1.00 0.00 C ATOM 237 CG ARG A 17 2.486 3.476 -8.949 1.00 0.00 C ATOM 238 CD ARG A 17 2.334 2.298 -8.000 1.00 0.00 C ATOM 239 NE ARG A 17 1.035 2.238 -7.415 1.00 0.00 N ATOM 240 CZ ARG A 17 0.751 1.433 -6.438 1.00 0.00 C ATOM 241 NH1 ARG A 17 1.547 0.423 -6.140 1.00 0.00 N ATOM 242 NH2 ARG A 17 -0.351 1.599 -5.787 1.00 0.00 N ATOM 0 H ARG A 17 2.378 5.065 -6.795 1.00 0.00 H new ATOM 0 HA ARG A 17 4.330 3.111 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.542 5.338 -8.893 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.537 3.962 -9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.610 4.120 -8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.520 3.111 -9.975 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.530 1.372 -8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.082 2.371 -7.211 1.00 0.00 H new ATOM 0 HE ARG A 17 0.303 2.849 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.398 0.268 -6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.311 -0.202 -5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.986 2.355 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.587 0.974 -5.017 1.00 0.00 H new ATOM 256 N VAL A 18 5.535 6.061 -6.661 1.00 0.00 N ATOM 257 CA VAL A 18 6.778 6.705 -6.391 1.00 0.00 C ATOM 258 C VAL A 18 7.279 6.310 -5.010 1.00 0.00 C ATOM 259 O VAL A 18 8.427 5.938 -4.857 1.00 0.00 O ATOM 260 CB VAL A 18 6.639 8.231 -6.482 1.00 0.00 C ATOM 261 CG1 VAL A 18 6.110 8.617 -7.853 1.00 0.00 C ATOM 262 CG2 VAL A 18 5.725 8.751 -5.377 1.00 0.00 C ATOM 0 H VAL A 18 4.705 6.649 -6.584 1.00 0.00 H new ATOM 0 HA VAL A 18 7.499 6.383 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 18 7.619 8.688 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.013 9.701 -7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.802 8.271 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.135 8.156 -8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.638 9.835 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.738 8.299 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.145 8.491 -4.405 1.00 0.00 H new ATOM 272 N PHE A 19 6.377 6.264 -4.037 1.00 0.00 N ATOM 273 CA PHE A 19 6.771 6.002 -2.662 1.00 0.00 C ATOM 274 C PHE A 19 7.453 4.643 -2.463 1.00 0.00 C ATOM 275 O PHE A 19 8.500 4.555 -1.797 1.00 0.00 O ATOM 276 CB PHE A 19 5.568 6.267 -1.702 1.00 0.00 C ATOM 277 CG PHE A 19 4.625 5.128 -1.347 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.065 3.853 -1.072 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.266 5.373 -1.274 1.00 0.00 C ATOM 280 CE1 PHE A 19 4.177 2.844 -0.755 1.00 0.00 C ATOM 281 CE2 PHE A 19 2.371 4.371 -0.955 1.00 0.00 C ATOM 282 CZ PHE A 19 2.830 3.101 -0.700 1.00 0.00 C ATOM 0 H PHE A 19 5.376 6.404 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 19 7.557 6.709 -2.397 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.975 6.656 -0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.967 7.062 -2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.123 3.638 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.897 6.369 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.544 1.849 -0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.313 4.585 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.135 2.310 -0.458 1.00 0.00 H new ATOM 292 N THR A 20 6.941 3.583 -3.071 1.00 0.00 N ATOM 293 CA THR A 20 7.550 2.291 -2.833 1.00 0.00 C ATOM 294 C THR A 20 8.778 2.061 -3.689 1.00 0.00 C ATOM 295 O THR A 20 9.811 1.639 -3.168 1.00 0.00 O ATOM 296 CB THR A 20 6.566 1.134 -2.969 1.00 0.00 C ATOM 297 OG1 THR A 20 5.904 0.946 -1.728 1.00 0.00 O ATOM 298 CG2 THR A 20 7.280 -0.139 -3.368 1.00 0.00 C ATOM 0 H THR A 20 6.142 3.590 -3.704 1.00 0.00 H new ATOM 0 HA THR A 20 7.874 2.314 -1.793 1.00 0.00 H new ATOM 0 HB THR A 20 5.842 1.373 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.782 1.813 -1.288 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.556 -0.949 -3.458 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.780 0.009 -4.325 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.019 -0.395 -2.608 1.00 0.00 H new ATOM 306 N GLN A 21 8.696 2.307 -4.993 1.00 0.00 N ATOM 307 CA GLN A 21 9.851 2.131 -5.814 1.00 0.00 C ATOM 308 C GLN A 21 10.935 3.056 -5.327 1.00 0.00 C ATOM 309 O GLN A 21 12.103 2.878 -5.637 1.00 0.00 O ATOM 310 CB GLN A 21 9.506 2.353 -7.271 1.00 0.00 C ATOM 311 CG GLN A 21 9.857 1.156 -8.140 1.00 0.00 C ATOM 312 CD GLN A 21 9.718 -0.188 -7.437 1.00 0.00 C ATOM 313 OE1 GLN A 21 10.487 -1.111 -7.701 1.00 0.00 O ATOM 314 NE2 GLN A 21 8.728 -0.313 -6.555 1.00 0.00 N ATOM 0 H GLN A 21 7.856 2.621 -5.479 1.00 0.00 H new ATOM 0 HA GLN A 21 10.218 1.107 -5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.440 2.563 -7.361 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.037 3.232 -7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.216 1.160 -9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.883 1.265 -8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.112 0.477 -6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.586 -1.199 -6.070 1.00 0.00 H new ATOM 323 N LEU A 22 10.542 4.059 -4.557 1.00 0.00 N ATOM 324 CA LEU A 22 11.521 4.937 -3.968 1.00 0.00 C ATOM 325 C LEU A 22 12.425 4.070 -3.120 1.00 0.00 C ATOM 326 O LEU A 22 13.645 4.209 -3.153 1.00 0.00 O ATOM 327 CB LEU A 22 10.876 6.035 -3.115 1.00 0.00 C ATOM 328 CG LEU A 22 10.439 7.313 -3.858 1.00 0.00 C ATOM 329 CD1 LEU A 22 11.073 8.531 -3.219 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.778 7.264 -5.349 1.00 0.00 C ATOM 0 H LEU A 22 9.571 4.277 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 22 12.077 5.452 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.002 5.613 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.581 6.318 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 22 9.354 7.380 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.757 9.428 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.760 8.599 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.158 8.444 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.450 8.187 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.855 7.154 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.271 6.416 -5.810 1.00 0.00 H new ATOM 342 N SER A 23 11.810 3.151 -2.367 1.00 0.00 N ATOM 343 CA SER A 23 12.586 2.223 -1.548 1.00 0.00 C ATOM 344 C SER A 23 13.293 1.168 -2.416 1.00 0.00 C ATOM 345 O SER A 23 14.489 0.923 -2.251 1.00 0.00 O ATOM 346 CB SER A 23 11.704 1.543 -0.493 1.00 0.00 C ATOM 347 OG SER A 23 11.383 2.447 0.552 1.00 0.00 O ATOM 0 H SER A 23 10.798 3.033 -2.310 1.00 0.00 H new ATOM 0 HA SER A 23 13.349 2.806 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.788 1.178 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.222 0.676 -0.084 1.00 0.00 H new ATOM 0 HG SER A 23 10.482 2.806 0.409 1.00 0.00 H new ATOM 353 N SER A 24 12.559 0.544 -3.342 1.00 0.00 N ATOM 354 CA SER A 24 13.137 -0.483 -4.217 1.00 0.00 C ATOM 355 C SER A 24 14.194 0.082 -5.144 1.00 0.00 C ATOM 356 O SER A 24 15.351 -0.336 -5.102 1.00 0.00 O ATOM 357 CB SER A 24 12.061 -1.155 -5.055 1.00 0.00 C ATOM 358 OG SER A 24 12.605 -1.691 -6.249 1.00 0.00 O ATOM 0 H SER A 24 11.569 0.730 -3.505 1.00 0.00 H new ATOM 0 HA SER A 24 13.606 -1.215 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.590 -1.950 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.282 -0.433 -5.299 1.00 0.00 H new ATOM 0 HG SER A 24 11.900 -1.762 -6.926 1.00 0.00 H new ATOM 364 N ALA A 25 13.786 1.013 -5.997 1.00 0.00 N ATOM 365 CA ALA A 25 14.702 1.637 -6.934 1.00 0.00 C ATOM 366 C ALA A 25 15.948 2.074 -6.189 1.00 0.00 C ATOM 367 O ALA A 25 17.055 2.033 -6.720 1.00 0.00 O ATOM 368 CB ALA A 25 14.036 2.822 -7.630 1.00 0.00 C ATOM 0 H ALA A 25 12.825 1.351 -6.057 1.00 0.00 H new ATOM 0 HA ALA A 25 14.980 0.919 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.739 3.276 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.156 2.477 -8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.736 3.560 -6.886 1.00 0.00 H new ATOM 374 N ALA A 26 15.749 2.453 -4.930 1.00 0.00 N ATOM 375 CA ALA A 26 16.848 2.890 -4.083 1.00 0.00 C ATOM 376 C ALA A 26 17.893 1.794 -3.907 1.00 0.00 C ATOM 377 O ALA A 26 19.091 2.078 -3.922 1.00 0.00 O ATOM 378 CB ALA A 26 16.334 3.352 -2.727 1.00 0.00 C ATOM 0 H ALA A 26 14.836 2.465 -4.476 1.00 0.00 H new ATOM 0 HA ALA A 26 17.328 3.732 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.173 3.674 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.644 4.184 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.817 2.529 -2.234 1.00 0.00 H new ATOM 384 N ASN A 27 17.458 0.540 -3.740 1.00 0.00 N ATOM 385 CA ASN A 27 18.426 -0.542 -3.556 1.00 0.00 C ATOM 386 C ASN A 27 17.875 -1.956 -3.798 1.00 0.00 C ATOM 387 O ASN A 27 18.581 -2.792 -4.365 1.00 0.00 O ATOM 388 CB ASN A 27 19.024 -0.469 -2.148 1.00 0.00 C ATOM 389 CG ASN A 27 18.014 -0.059 -1.088 1.00 0.00 C ATOM 390 OD1 ASN A 27 16.730 -0.264 -1.361 1.00 0.00 O flip ATOM 391 ND2 ASN A 27 18.388 0.450 -0.031 1.00 0.00 N flip ATOM 0 H ASN A 27 16.478 0.257 -3.729 1.00 0.00 H new ATOM 0 HA ASN A 27 19.184 -0.382 -4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.441 -1.442 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.850 0.242 -2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.383 0.592 0.143 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.703 0.730 0.671 1.00 0.00 H new ATOM 398 N CYS A 28 16.634 -2.239 -3.393 1.00 0.00 N ATOM 399 CA CYS A 28 16.094 -3.594 -3.543 1.00 0.00 C ATOM 400 C CYS A 28 14.631 -3.679 -3.116 1.00 0.00 C ATOM 401 O CYS A 28 14.102 -2.753 -2.542 1.00 0.00 O ATOM 402 CB CYS A 28 16.938 -4.541 -2.679 1.00 0.00 C ATOM 403 SG CYS A 28 16.016 -5.853 -1.821 1.00 0.00 S ATOM 0 H CYS A 28 15.996 -1.566 -2.968 1.00 0.00 H new ATOM 0 HA CYS A 28 16.139 -3.874 -4.595 1.00 0.00 H new ATOM 0 HB2 CYS A 28 17.693 -5.007 -3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.469 -3.948 -1.934 1.00 0.00 H new ATOM 408 N ASP A 29 13.987 -4.798 -3.421 1.00 0.00 N ATOM 409 CA ASP A 29 12.593 -5.029 -3.029 1.00 0.00 C ATOM 410 C ASP A 29 12.507 -6.212 -2.061 1.00 0.00 C ATOM 411 O ASP A 29 13.306 -7.145 -2.164 1.00 0.00 O ATOM 412 CB ASP A 29 11.729 -5.311 -4.259 1.00 0.00 C ATOM 413 CG ASP A 29 12.531 -5.881 -5.411 1.00 0.00 C ATOM 414 OD1 ASP A 29 12.701 -7.118 -5.462 1.00 0.00 O ATOM 415 OD2 ASP A 29 12.990 -5.092 -6.264 1.00 0.00 O ATOM 0 H ASP A 29 14.407 -5.568 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 29 12.223 -4.131 -2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.937 -6.010 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.245 -4.388 -4.579 1.00 0.00 H new ATOM 420 N TRP A 30 11.548 -6.197 -1.124 1.00 0.00 N ATOM 421 CA TRP A 30 11.431 -7.316 -0.189 1.00 0.00 C ATOM 422 C TRP A 30 11.010 -8.555 -0.970 1.00 0.00 C ATOM 423 O TRP A 30 11.582 -9.632 -0.803 1.00 0.00 O ATOM 424 CB TRP A 30 10.467 -7.023 0.989 1.00 0.00 C ATOM 425 CG TRP A 30 9.142 -6.481 0.611 1.00 0.00 C ATOM 426 CD1 TRP A 30 8.152 -7.074 -0.103 1.00 0.00 C ATOM 427 CD2 TRP A 30 8.663 -5.209 0.985 1.00 0.00 C ATOM 428 NE1 TRP A 30 7.100 -6.205 -0.248 1.00 0.00 N ATOM 429 CE2 TRP A 30 7.401 -5.048 0.420 1.00 0.00 C ATOM 430 CE3 TRP A 30 9.209 -4.176 1.733 1.00 0.00 C ATOM 431 CZ2 TRP A 30 6.675 -3.884 0.577 1.00 0.00 C ATOM 432 CZ3 TRP A 30 8.490 -3.024 1.897 1.00 0.00 C ATOM 433 CH2 TRP A 30 7.239 -2.877 1.322 1.00 0.00 C ATOM 0 H TRP A 30 10.866 -5.449 -0.997 1.00 0.00 H new ATOM 0 HA TRP A 30 12.402 -7.483 0.276 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.316 -7.946 1.550 1.00 0.00 H new ATOM 0 HB3 TRP A 30 10.950 -6.316 1.663 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.187 -8.079 -0.498 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.240 -6.389 -0.765 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.187 -4.280 2.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.699 -3.769 0.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.904 -2.217 2.484 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.697 -1.954 1.462 1.00 0.00 H new ATOM 444 N ALA A 31 10.025 -8.361 -1.854 1.00 0.00 N ATOM 445 CA ALA A 31 9.504 -9.409 -2.728 1.00 0.00 C ATOM 446 C ALA A 31 8.720 -10.471 -1.961 1.00 0.00 C ATOM 447 O ALA A 31 7.635 -10.886 -2.371 1.00 0.00 O ATOM 448 CB ALA A 31 10.643 -10.043 -3.506 1.00 0.00 C ATOM 0 H ALA A 31 9.564 -7.460 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 31 8.804 -8.942 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.249 -10.824 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.138 -9.283 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.361 -10.478 -2.811 1.00 0.00 H new ATOM 454 N ALA A 32 9.272 -10.906 -0.846 1.00 0.00 N ATOM 455 CA ALA A 32 8.634 -11.923 -0.026 1.00 0.00 C ATOM 456 C ALA A 32 7.365 -11.386 0.624 1.00 0.00 C ATOM 457 O ALA A 32 6.335 -12.065 0.663 1.00 0.00 O ATOM 458 CB ALA A 32 9.601 -12.427 1.035 1.00 0.00 C ATOM 0 H ALA A 32 10.165 -10.571 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 32 8.355 -12.755 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.111 -13.188 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.478 -12.857 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.908 -11.597 1.672 1.00 0.00 H new ATOM 464 N CYS A 33 7.440 -10.160 1.124 1.00 0.00 N ATOM 465 CA CYS A 33 6.300 -9.549 1.788 1.00 0.00 C ATOM 466 C CYS A 33 5.161 -9.265 0.827 1.00 0.00 C ATOM 467 O CYS A 33 4.022 -9.579 1.117 1.00 0.00 O ATOM 468 CB CYS A 33 6.700 -8.264 2.493 1.00 0.00 C ATOM 469 SG CYS A 33 6.175 -8.206 4.241 1.00 0.00 S ATOM 0 H CYS A 33 8.273 -9.573 1.082 1.00 0.00 H new ATOM 0 HA CYS A 33 5.950 -10.271 2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.783 -8.152 2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.266 -7.416 1.962 1.00 0.00 H new ATOM 474 N LEU A 34 5.448 -8.666 -0.312 1.00 0.00 N ATOM 475 CA LEU A 34 4.386 -8.362 -1.253 1.00 0.00 C ATOM 476 C LEU A 34 3.562 -9.601 -1.553 1.00 0.00 C ATOM 477 O LEU A 34 2.346 -9.520 -1.723 1.00 0.00 O ATOM 478 CB LEU A 34 4.934 -7.728 -2.516 1.00 0.00 C ATOM 479 CG LEU A 34 6.300 -8.242 -2.942 1.00 0.00 C ATOM 480 CD1 LEU A 34 6.155 -9.252 -4.067 1.00 0.00 C ATOM 481 CD2 LEU A 34 7.188 -7.087 -3.355 1.00 0.00 C ATOM 0 H LEU A 34 6.384 -8.385 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 34 3.723 -7.630 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.227 -7.898 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.996 -6.650 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 34 6.770 -8.744 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.141 -9.612 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.549 -10.092 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.671 -8.778 -4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.163 -7.468 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.730 -6.557 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.310 -6.404 -2.515 1.00 0.00 H new ATOM 493 N SER A 35 4.220 -10.750 -1.617 1.00 0.00 N ATOM 494 CA SER A 35 3.510 -11.999 -1.834 1.00 0.00 C ATOM 495 C SER A 35 2.513 -12.187 -0.695 1.00 0.00 C ATOM 496 O SER A 35 1.415 -12.708 -0.878 1.00 0.00 O ATOM 497 CB SER A 35 4.490 -13.168 -1.857 1.00 0.00 C ATOM 498 OG SER A 35 3.824 -14.392 -2.117 1.00 0.00 O ATOM 0 H SER A 35 5.231 -10.842 -1.523 1.00 0.00 H new ATOM 0 HA SER A 35 2.991 -11.966 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.249 -12.995 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.009 -13.230 -0.900 1.00 0.00 H new ATOM 0 HG SER A 35 4.476 -15.123 -2.128 1.00 0.00 H new ATOM 504 N SER A 36 2.940 -11.741 0.483 1.00 0.00 N ATOM 505 CA SER A 36 2.138 -11.815 1.711 1.00 0.00 C ATOM 506 C SER A 36 0.747 -11.180 1.547 1.00 0.00 C ATOM 507 O SER A 36 -0.243 -11.736 2.018 1.00 0.00 O ATOM 508 CB SER A 36 2.890 -11.138 2.864 1.00 0.00 C ATOM 509 OG SER A 36 2.562 -11.729 4.109 1.00 0.00 O ATOM 0 H SER A 36 3.857 -11.315 0.618 1.00 0.00 H new ATOM 0 HA SER A 36 1.984 -12.871 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.964 -11.214 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.645 -10.076 2.887 1.00 0.00 H new ATOM 0 HG SER A 36 3.057 -11.279 4.825 1.00 0.00 H new ATOM 515 N LEU A 37 0.665 -10.011 0.903 1.00 0.00 N ATOM 516 CA LEU A 37 -0.639 -9.363 0.693 1.00 0.00 C ATOM 517 C LEU A 37 -1.448 -10.245 -0.212 1.00 0.00 C ATOM 518 O LEU A 37 -2.555 -10.658 0.122 1.00 0.00 O ATOM 519 CB LEU A 37 -0.519 -7.966 0.062 1.00 0.00 C ATOM 520 CG LEU A 37 -1.760 -7.471 -0.687 1.00 0.00 C ATOM 521 CD1 LEU A 37 -2.898 -7.198 0.280 1.00 0.00 C ATOM 522 CD2 LEU A 37 -1.445 -6.237 -1.508 1.00 0.00 C ATOM 0 H LEU A 37 1.464 -9.502 0.525 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.114 -9.229 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.282 -7.250 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.324 -7.970 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.075 -8.258 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.769 -6.847 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.151 -8.115 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.592 -6.435 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.344 -5.907 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.095 -5.442 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.669 -6.473 -2.237 1.00 0.00 H new ATOM 534 N SER A 38 -0.859 -10.542 -1.360 1.00 0.00 N ATOM 535 CA SER A 38 -1.489 -11.402 -2.339 1.00 0.00 C ATOM 536 C SER A 38 -1.611 -12.822 -1.791 1.00 0.00 C ATOM 537 O SER A 38 -2.068 -13.728 -2.483 1.00 0.00 O ATOM 538 CB SER A 38 -0.689 -11.392 -3.645 1.00 0.00 C ATOM 539 OG SER A 38 -0.139 -12.668 -3.922 1.00 0.00 O ATOM 0 H SER A 38 0.060 -10.196 -1.634 1.00 0.00 H new ATOM 0 HA SER A 38 -2.491 -11.026 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.335 -11.086 -4.468 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.112 -10.655 -3.578 1.00 0.00 H new ATOM 0 HG SER A 38 0.365 -12.632 -4.762 1.00 0.00 H new ATOM 545 N ALA A 39 -1.190 -13.005 -0.543 1.00 0.00 N ATOM 546 CA ALA A 39 -1.268 -14.303 0.111 1.00 0.00 C ATOM 547 C ALA A 39 -2.595 -14.436 0.845 1.00 0.00 C ATOM 548 O ALA A 39 -3.403 -15.300 0.506 1.00 0.00 O ATOM 549 CB ALA A 39 -0.102 -14.496 1.069 1.00 0.00 C ATOM 0 H ALA A 39 -0.790 -12.266 0.036 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.209 -15.081 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.181 -15.473 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.836 -14.437 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.124 -13.717 1.831 1.00 0.00 H new ATOM 555 N SER A 40 -2.798 -13.561 1.846 1.00 0.00 N ATOM 556 CA SER A 40 -4.031 -13.518 2.649 1.00 0.00 C ATOM 557 C SER A 40 -3.761 -13.046 4.072 1.00 0.00 C ATOM 558 O SER A 40 -3.136 -13.752 4.862 1.00 0.00 O ATOM 559 CB SER A 40 -4.727 -14.883 2.717 1.00 0.00 C ATOM 560 OG SER A 40 -3.835 -15.890 3.163 1.00 0.00 O ATOM 0 H SER A 40 -2.108 -12.862 2.121 1.00 0.00 H new ATOM 0 HA SER A 40 -4.685 -12.807 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.582 -14.826 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.115 -15.146 1.733 1.00 0.00 H new ATOM 0 HG SER A 40 -3.216 -15.511 3.822 1.00 0.00 H new ATOM 566 N SER A 41 -4.234 -11.845 4.392 1.00 0.00 N ATOM 567 CA SER A 41 -4.088 -11.307 5.736 1.00 0.00 C ATOM 568 C SER A 41 -5.465 -11.162 6.344 1.00 0.00 C ATOM 569 O SER A 41 -6.383 -10.664 5.697 1.00 0.00 O ATOM 570 CB SER A 41 -3.379 -9.950 5.746 1.00 0.00 C ATOM 571 OG SER A 41 -2.645 -9.769 6.944 1.00 0.00 O ATOM 0 H SER A 41 -4.720 -11.229 3.740 1.00 0.00 H new ATOM 0 HA SER A 41 -3.472 -11.995 6.315 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.708 -9.880 4.890 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.113 -9.151 5.641 1.00 0.00 H new ATOM 0 HG SER A 41 -2.200 -8.896 6.926 1.00 0.00 H new ATOM 577 N ALA A 42 -5.601 -11.583 7.586 1.00 0.00 N ATOM 578 CA ALA A 42 -6.882 -11.511 8.283 1.00 0.00 C ATOM 579 C ALA A 42 -7.376 -10.077 8.332 1.00 0.00 C ATOM 580 O ALA A 42 -8.513 -9.802 8.720 1.00 0.00 O ATOM 581 CB ALA A 42 -6.749 -12.072 9.688 1.00 0.00 C ATOM 0 H ALA A 42 -4.842 -11.980 8.139 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.610 -12.110 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.711 -12.012 10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.431 -13.113 9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.009 -11.494 10.242 1.00 0.00 H new ATOM 587 N ALA A 43 -6.507 -9.172 7.917 1.00 0.00 N ATOM 588 CA ALA A 43 -6.801 -7.756 7.932 1.00 0.00 C ATOM 589 C ALA A 43 -7.511 -7.277 6.680 1.00 0.00 C ATOM 590 O ALA A 43 -8.634 -6.799 6.764 1.00 0.00 O ATOM 591 CB ALA A 43 -5.505 -6.985 8.141 1.00 0.00 C ATOM 0 H ALA A 43 -5.579 -9.401 7.561 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.492 -7.571 8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.716 -5.916 8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.056 -7.278 9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.814 -7.209 7.329 1.00 0.00 H new ATOM 597 N CYS A 44 -6.874 -7.422 5.528 1.00 0.00 N ATOM 598 CA CYS A 44 -7.455 -6.947 4.277 1.00 0.00 C ATOM 599 C CYS A 44 -8.947 -7.245 4.171 1.00 0.00 C ATOM 600 O CYS A 44 -9.707 -6.466 3.593 1.00 0.00 O ATOM 601 CB CYS A 44 -6.696 -7.514 3.084 1.00 0.00 C ATOM 602 SG CYS A 44 -5.553 -8.876 3.483 1.00 0.00 S ATOM 0 H CYS A 44 -5.959 -7.862 5.431 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.356 -5.862 4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.417 -7.868 2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.130 -6.709 2.615 1.00 0.00 H new ATOM 607 N ILE A 45 -9.364 -8.364 4.728 1.00 0.00 N ATOM 608 CA ILE A 45 -10.766 -8.746 4.695 1.00 0.00 C ATOM 609 C ILE A 45 -11.544 -8.071 5.825 1.00 0.00 C ATOM 610 O ILE A 45 -12.610 -7.437 5.615 1.00 0.00 O ATOM 611 CB ILE A 45 -10.939 -10.275 4.759 1.00 0.00 C ATOM 612 CG1 ILE A 45 -9.633 -10.976 4.380 1.00 0.00 C ATOM 613 CG2 ILE A 45 -12.061 -10.714 3.827 1.00 0.00 C ATOM 614 CD1 ILE A 45 -8.981 -11.706 5.533 1.00 0.00 C ATOM 0 H ILE A 45 -8.755 -9.026 5.209 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.173 -8.404 3.743 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.199 -10.554 5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.831 -11.686 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.935 -10.237 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.175 -11.797 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.993 -10.236 4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.819 -10.424 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.061 -12.179 5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.751 -10.997 6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.661 -12.469 5.912 1.00 0.00 H new ATOM 626 N ALA A 46 -10.984 -8.160 7.029 1.00 0.00 N ATOM 627 CA ALA A 46 -11.627 -7.538 8.179 1.00 0.00 C ATOM 628 C ALA A 46 -11.769 -6.068 7.852 1.00 0.00 C ATOM 629 O ALA A 46 -12.595 -5.324 8.396 1.00 0.00 O ATOM 630 CB ALA A 46 -10.808 -7.748 9.444 1.00 0.00 C ATOM 0 H ALA A 46 -10.109 -8.644 7.230 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.602 -7.986 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.311 -7.273 10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.705 -8.816 9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.820 -7.306 9.316 1.00 0.00 H new ATOM 636 N ALA A 47 -10.944 -5.692 6.898 1.00 0.00 N ATOM 637 CA ALA A 47 -10.878 -4.359 6.384 1.00 0.00 C ATOM 638 C ALA A 47 -12.100 -4.047 5.560 1.00 0.00 C ATOM 639 O ALA A 47 -12.715 -2.995 5.727 1.00 0.00 O ATOM 640 CB ALA A 47 -9.653 -4.234 5.514 1.00 0.00 C ATOM 0 H ALA A 47 -10.286 -6.331 6.452 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.829 -3.659 7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.591 -3.221 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.763 -4.446 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.718 -4.945 4.690 1.00 0.00 H new ATOM 646 N VAL A 48 -12.470 -4.992 4.695 1.00 0.00 N ATOM 647 CA VAL A 48 -13.603 -4.804 3.806 1.00 0.00 C ATOM 648 C VAL A 48 -14.713 -4.092 4.515 1.00 0.00 C ATOM 649 O VAL A 48 -15.355 -3.199 3.963 1.00 0.00 O ATOM 650 CB VAL A 48 -14.161 -6.142 3.289 1.00 0.00 C ATOM 651 CG1 VAL A 48 -15.278 -5.908 2.283 1.00 0.00 C ATOM 652 CG2 VAL A 48 -13.061 -6.988 2.687 1.00 0.00 C ATOM 0 H VAL A 48 -11.999 -5.891 4.596 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.239 -4.216 2.963 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.578 -6.686 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.657 -6.867 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.085 -5.351 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -14.893 -5.338 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.480 -7.928 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.605 -6.453 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.304 -7.193 3.444 1.00 0.00 H new ATOM 662 N GLY A 49 -14.936 -4.492 5.738 1.00 0.00 N ATOM 663 CA GLY A 49 -15.999 -3.864 6.506 1.00 0.00 C ATOM 664 C GLY A 49 -15.607 -2.625 7.289 1.00 0.00 C ATOM 665 O GLY A 49 -16.462 -1.790 7.576 1.00 0.00 O ATOM 0 H GLY A 49 -14.418 -5.227 6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.806 -3.599 5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.400 -4.599 7.203 1.00 0.00 H new ATOM 669 N GLU A 50 -14.335 -2.460 7.609 1.00 0.00 N ATOM 670 CA GLU A 50 -13.937 -1.339 8.458 1.00 0.00 C ATOM 671 C GLU A 50 -13.516 -0.022 7.774 1.00 0.00 C ATOM 672 O GLU A 50 -12.703 0.691 8.346 1.00 0.00 O ATOM 673 CB GLU A 50 -12.917 -1.755 9.496 1.00 0.00 C ATOM 674 CG GLU A 50 -13.254 -1.186 10.858 1.00 0.00 C ATOM 675 CD GLU A 50 -12.070 -1.175 11.806 1.00 0.00 C ATOM 676 OE1 GLU A 50 -11.600 -2.271 12.181 1.00 0.00 O ATOM 677 OE2 GLU A 50 -11.615 -0.073 12.175 1.00 0.00 O ATOM 0 H GLU A 50 -13.574 -3.068 7.306 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.882 -1.075 8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.877 -2.843 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.927 -1.415 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.626 -0.168 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.061 -1.770 11.300 1.00 0.00 H new ATOM 684 N LEU A 51 -13.926 0.234 6.525 1.00 0.00 N ATOM 685 CA LEU A 51 -13.658 1.544 5.865 1.00 0.00 C ATOM 686 C LEU A 51 -12.607 1.468 4.799 1.00 0.00 C ATOM 687 O LEU A 51 -11.392 1.383 5.081 1.00 0.00 O ATOM 688 CB LEU A 51 -13.319 2.656 6.853 1.00 0.00 C ATOM 689 CG LEU A 51 -13.501 4.075 6.317 1.00 0.00 C ATOM 690 CD1 LEU A 51 -14.975 4.408 6.121 1.00 0.00 C ATOM 691 CD2 LEU A 51 -12.830 5.090 7.230 1.00 0.00 C ATOM 0 H LEU A 51 -14.439 -0.431 5.947 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.602 1.798 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.942 2.536 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.284 2.535 7.172 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.018 4.126 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.071 5.424 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.414 3.710 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.496 4.329 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.974 6.093 6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.271 5.032 8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.764 4.874 7.293 1.00 0.00 H new ATOM 703 N GLY A 52 -13.121 1.498 3.562 1.00 0.00 N ATOM 704 CA GLY A 52 -12.310 1.415 2.374 1.00 0.00 C ATOM 705 C GLY A 52 -11.396 0.262 2.492 1.00 0.00 C ATOM 706 O GLY A 52 -10.470 0.088 1.705 1.00 0.00 O ATOM 0 H GLY A 52 -14.120 1.581 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.943 1.304 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.740 2.335 2.243 1.00 0.00 H new ATOM 710 N LEU A 53 -11.723 -0.530 3.500 1.00 0.00 N ATOM 711 CA LEU A 53 -11.007 -1.706 3.874 1.00 0.00 C ATOM 712 C LEU A 53 -10.026 -1.333 4.965 1.00 0.00 C ATOM 713 O LEU A 53 -8.826 -1.562 4.823 1.00 0.00 O ATOM 714 CB LEU A 53 -10.304 -2.387 2.692 1.00 0.00 C ATOM 715 CG LEU A 53 -11.182 -2.777 1.482 1.00 0.00 C ATOM 716 CD1 LEU A 53 -11.031 -4.251 1.160 1.00 0.00 C ATOM 717 CD2 LEU A 53 -12.646 -2.435 1.718 1.00 0.00 C ATOM 0 H LEU A 53 -12.531 -0.350 4.096 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.719 -2.445 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.516 -1.722 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.817 -3.289 3.062 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.836 -2.195 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.658 -4.503 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.989 -4.467 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.337 -4.845 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.232 -2.724 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.009 -2.973 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.747 -1.362 1.884 1.00 0.00 H new ATOM 729 N ASP A 54 -10.554 -0.746 6.065 1.00 0.00 N ATOM 730 CA ASP A 54 -9.721 -0.324 7.188 1.00 0.00 C ATOM 731 C ASP A 54 -8.283 -0.294 6.774 1.00 0.00 C ATOM 732 O ASP A 54 -7.643 -1.338 6.737 1.00 0.00 O ATOM 733 CB ASP A 54 -9.844 -1.287 8.355 1.00 0.00 C ATOM 734 CG ASP A 54 -9.772 -0.579 9.695 1.00 0.00 C ATOM 735 OD1 ASP A 54 -10.476 0.438 9.865 1.00 0.00 O ATOM 736 OD2 ASP A 54 -9.015 -1.043 10.572 1.00 0.00 O ATOM 0 H ASP A 54 -11.549 -0.560 6.187 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.060 0.666 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.789 -1.825 8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.049 -2.030 8.296 1.00 0.00 H new ATOM 741 N VAL A 55 -7.769 0.865 6.434 1.00 0.00 N ATOM 742 CA VAL A 55 -6.368 0.921 6.023 1.00 0.00 C ATOM 743 C VAL A 55 -5.486 0.070 6.926 1.00 0.00 C ATOM 744 O VAL A 55 -4.675 -0.697 6.406 1.00 0.00 O ATOM 745 CB VAL A 55 -5.777 2.344 5.933 1.00 0.00 C ATOM 746 CG1 VAL A 55 -4.928 2.696 7.156 1.00 0.00 C ATOM 747 CG2 VAL A 55 -4.950 2.455 4.662 1.00 0.00 C ATOM 0 H VAL A 55 -8.268 1.754 6.429 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.372 0.518 5.010 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.601 3.057 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.534 3.706 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.543 2.642 8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.101 1.991 7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.528 3.457 4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.143 1.722 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.585 2.265 3.797 1.00 0.00 H new ATOM 757 N PRO A 56 -5.646 0.150 8.282 1.00 0.00 N ATOM 758 CA PRO A 56 -4.815 -0.627 9.199 1.00 0.00 C ATOM 759 C PRO A 56 -4.938 -2.100 8.894 1.00 0.00 C ATOM 760 O PRO A 56 -4.120 -2.914 9.323 1.00 0.00 O ATOM 761 CB PRO A 56 -5.384 -0.311 10.588 1.00 0.00 C ATOM 762 CG PRO A 56 -6.116 0.972 10.415 1.00 0.00 C ATOM 763 CD PRO A 56 -6.662 0.937 9.019 1.00 0.00 C ATOM 0 HA PRO A 56 -3.756 -0.380 9.120 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.049 -1.103 10.933 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.590 -0.217 11.329 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.917 1.068 11.147 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.452 1.825 10.555 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.643 0.464 8.982 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.775 1.939 8.605 1.00 0.00 H new ATOM 771 N LEU A 57 -6.014 -2.440 8.207 1.00 0.00 N ATOM 772 CA LEU A 57 -6.248 -3.802 7.808 1.00 0.00 C ATOM 773 C LEU A 57 -5.812 -4.086 6.363 1.00 0.00 C ATOM 774 O LEU A 57 -4.841 -4.796 6.142 1.00 0.00 O ATOM 775 CB LEU A 57 -7.707 -4.179 8.011 1.00 0.00 C ATOM 776 CG LEU A 57 -8.226 -4.076 9.451 1.00 0.00 C ATOM 777 CD1 LEU A 57 -9.677 -4.516 9.525 1.00 0.00 C ATOM 778 CD2 LEU A 57 -7.376 -4.911 10.397 1.00 0.00 C ATOM 0 H LEU A 57 -6.738 -1.783 7.916 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.626 -4.425 8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.320 -3.539 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.850 -5.203 7.665 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.158 -3.033 9.760 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.029 -4.437 10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.284 -3.877 8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.761 -5.550 9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.765 -4.821 11.411 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.407 -5.956 10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.346 -4.555 10.370 1.00 0.00 H new ATOM 790 N ASP A 58 -6.540 -3.519 5.385 1.00 0.00 N ATOM 791 CA ASP A 58 -6.277 -3.768 3.956 1.00 0.00 C ATOM 792 C ASP A 58 -5.010 -3.172 3.399 1.00 0.00 C ATOM 793 O ASP A 58 -4.161 -3.905 2.911 1.00 0.00 O ATOM 794 CB ASP A 58 -7.426 -3.269 3.116 1.00 0.00 C ATOM 795 CG ASP A 58 -7.182 -3.450 1.632 1.00 0.00 C ATOM 796 OD1 ASP A 58 -6.562 -4.464 1.252 1.00 0.00 O ATOM 797 OD2 ASP A 58 -7.605 -2.573 0.852 1.00 0.00 O ATOM 0 H ASP A 58 -7.318 -2.883 5.559 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.157 -4.850 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.335 -3.799 3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.594 -2.213 3.327 1.00 0.00 H new ATOM 802 N LEU A 59 -4.885 -1.860 3.418 1.00 0.00 N ATOM 803 CA LEU A 59 -3.703 -1.254 2.852 1.00 0.00 C ATOM 804 C LEU A 59 -2.547 -1.526 3.741 1.00 0.00 C ATOM 805 O LEU A 59 -1.416 -1.248 3.403 1.00 0.00 O ATOM 806 CB LEU A 59 -3.876 0.212 2.546 1.00 0.00 C ATOM 807 CG LEU A 59 -4.102 0.498 1.065 1.00 0.00 C ATOM 808 CD1 LEU A 59 -2.802 0.472 0.293 1.00 0.00 C ATOM 809 CD2 LEU A 59 -5.095 -0.490 0.451 1.00 0.00 C ATOM 0 H LEU A 59 -5.568 -1.211 3.808 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.513 -1.709 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.721 0.598 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.991 0.753 2.882 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.525 1.500 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.999 0.680 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.127 1.229 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.342 -0.511 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.233 -0.258 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.709 -1.504 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.052 -0.413 0.968 1.00 0.00 H new ATOM 821 N ALA A 60 -2.876 -1.976 4.927 1.00 0.00 N ATOM 822 CA ALA A 60 -1.887 -2.372 5.888 1.00 0.00 C ATOM 823 C ALA A 60 -1.561 -3.827 5.612 1.00 0.00 C ATOM 824 O ALA A 60 -0.469 -4.294 5.893 1.00 0.00 O ATOM 825 CB ALA A 60 -2.400 -2.170 7.286 1.00 0.00 C ATOM 0 H ALA A 60 -3.838 -2.077 5.249 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.986 -1.765 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.637 -2.476 8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.639 -1.117 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.298 -2.770 7.435 1.00 0.00 H new ATOM 831 N CYS A 61 -2.558 -4.536 5.071 1.00 0.00 N ATOM 832 CA CYS A 61 -2.393 -5.922 4.652 1.00 0.00 C ATOM 833 C CYS A 61 -1.554 -5.863 3.389 1.00 0.00 C ATOM 834 O CYS A 61 -0.682 -6.694 3.113 1.00 0.00 O ATOM 835 CB CYS A 61 -3.759 -6.564 4.351 1.00 0.00 C ATOM 836 SG CYS A 61 -3.698 -8.042 3.285 1.00 0.00 S ATOM 0 H CYS A 61 -3.494 -4.163 4.914 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.923 -6.524 5.430 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.232 -6.835 5.295 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.397 -5.819 3.877 1.00 0.00 H new ATOM 841 N ALA A 62 -1.818 -4.797 2.656 1.00 0.00 N ATOM 842 CA ALA A 62 -1.146 -4.508 1.418 1.00 0.00 C ATOM 843 C ALA A 62 0.208 -3.868 1.693 1.00 0.00 C ATOM 844 O ALA A 62 1.212 -4.239 1.084 1.00 0.00 O ATOM 845 CB ALA A 62 -2.028 -3.612 0.571 1.00 0.00 C ATOM 0 H ALA A 62 -2.518 -4.101 2.915 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.964 -5.431 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.524 -3.389 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.971 -4.119 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.224 -2.683 1.107 1.00 0.00 H new ATOM 851 N ALA A 63 0.221 -2.908 2.623 1.00 0.00 N ATOM 852 CA ALA A 63 1.452 -2.237 3.016 1.00 0.00 C ATOM 853 C ALA A 63 2.352 -3.248 3.661 1.00 0.00 C ATOM 854 O ALA A 63 3.568 -3.225 3.492 1.00 0.00 O ATOM 855 CB ALA A 63 1.190 -1.098 3.983 1.00 0.00 C ATOM 0 H ALA A 63 -0.611 -2.582 3.115 1.00 0.00 H new ATOM 0 HA ALA A 63 1.917 -1.809 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.134 -0.624 4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.536 -0.364 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.711 -1.487 4.882 1.00 0.00 H new ATOM 861 N THR A 64 1.733 -4.162 4.395 1.00 0.00 N ATOM 862 CA THR A 64 2.485 -5.221 5.042 1.00 0.00 C ATOM 863 C THR A 64 2.928 -6.200 3.976 1.00 0.00 C ATOM 864 O THR A 64 3.371 -7.309 4.275 1.00 0.00 O ATOM 865 CB THR A 64 1.712 -5.971 6.169 1.00 0.00 C ATOM 866 OG1 THR A 64 2.642 -6.672 7.001 1.00 0.00 O ATOM 867 CG2 THR A 64 0.688 -6.969 5.622 1.00 0.00 C ATOM 0 H THR A 64 0.726 -4.190 4.555 1.00 0.00 H new ATOM 0 HA THR A 64 3.332 -4.753 5.544 1.00 0.00 H new ATOM 0 HB THR A 64 1.168 -5.217 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.278 -7.162 6.440 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.181 -7.461 6.452 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.044 -6.441 5.011 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.197 -7.716 5.014 1.00 0.00 H new ATOM 875 N ALA A 65 2.804 -5.774 2.711 1.00 0.00 N ATOM 876 CA ALA A 65 3.174 -6.624 1.607 1.00 0.00 C ATOM 877 C ALA A 65 3.334 -5.897 0.258 1.00 0.00 C ATOM 878 O ALA A 65 4.361 -5.284 0.003 1.00 0.00 O ATOM 879 CB ALA A 65 2.153 -7.720 1.494 1.00 0.00 C ATOM 0 H ALA A 65 2.453 -4.854 2.444 1.00 0.00 H new ATOM 0 HA ALA A 65 4.166 -7.019 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.414 -8.376 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.134 -8.296 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.170 -7.284 1.317 1.00 0.00 H new ATOM 885 N THR A 66 2.317 -5.985 -0.609 1.00 0.00 N ATOM 886 CA THR A 66 2.401 -5.420 -1.967 1.00 0.00 C ATOM 887 C THR A 66 2.117 -3.930 -2.062 1.00 0.00 C ATOM 888 O THR A 66 2.864 -3.234 -2.746 1.00 0.00 O ATOM 889 CB THR A 66 1.491 -6.175 -2.951 1.00 0.00 C ATOM 890 OG1 THR A 66 1.102 -7.431 -2.396 1.00 0.00 O ATOM 891 CG2 THR A 66 2.199 -6.418 -4.272 1.00 0.00 C ATOM 0 H THR A 66 1.429 -6.440 -0.398 1.00 0.00 H new ATOM 0 HA THR A 66 3.447 -5.553 -2.242 1.00 0.00 H new ATOM 0 HB THR A 66 0.610 -5.559 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.809 -8.091 -2.553 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.533 -6.953 -4.949 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.477 -5.463 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.096 -7.013 -4.100 1.00 0.00 H new ATOM 899 N SER A 67 1.056 -3.409 -1.432 1.00 0.00 N ATOM 900 CA SER A 67 0.840 -1.955 -1.523 1.00 0.00 C ATOM 901 C SER A 67 2.176 -1.345 -1.231 1.00 0.00 C ATOM 902 O SER A 67 2.536 -0.267 -1.707 1.00 0.00 O ATOM 903 CB SER A 67 -0.208 -1.422 -0.567 1.00 0.00 C ATOM 904 OG SER A 67 -0.199 -0.008 -0.575 1.00 0.00 O ATOM 0 H SER A 67 0.371 -3.931 -0.886 1.00 0.00 H new ATOM 0 HA SER A 67 0.454 -1.701 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.193 -1.789 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.013 -1.789 0.441 1.00 0.00 H new ATOM 0 HG SER A 67 -0.267 0.325 0.344 1.00 0.00 H new ATOM 910 N SER A 68 2.883 -2.092 -0.398 1.00 0.00 N ATOM 911 CA SER A 68 4.238 -1.848 -0.064 1.00 0.00 C ATOM 912 C SER A 68 4.479 -0.793 0.983 1.00 0.00 C ATOM 913 O SER A 68 4.324 0.398 0.754 1.00 0.00 O ATOM 914 CB SER A 68 5.037 -1.573 -1.321 1.00 0.00 C ATOM 915 OG SER A 68 6.411 -1.439 -1.029 1.00 0.00 O ATOM 0 H SER A 68 2.495 -2.911 0.071 1.00 0.00 H new ATOM 0 HA SER A 68 4.585 -2.764 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.891 -2.385 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.672 -0.662 -1.796 1.00 0.00 H new ATOM 0 HG SER A 68 6.631 -0.490 -0.921 1.00 0.00 H new ATOM 921 N ALA A 69 4.862 -1.295 2.140 1.00 0.00 N ATOM 922 CA ALA A 69 5.230 -0.479 3.287 1.00 0.00 C ATOM 923 C ALA A 69 5.284 -1.343 4.533 1.00 0.00 C ATOM 924 O ALA A 69 4.790 -0.968 5.597 1.00 0.00 O ATOM 925 CB ALA A 69 4.273 0.682 3.484 1.00 0.00 C ATOM 0 H ALA A 69 4.928 -2.298 2.316 1.00 0.00 H new ATOM 0 HA ALA A 69 6.216 -0.054 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.583 1.266 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.282 1.316 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.265 0.299 3.646 1.00 0.00 H new ATOM 931 N THR A 70 5.897 -2.506 4.380 1.00 0.00 N ATOM 932 CA THR A 70 6.017 -3.459 5.468 1.00 0.00 C ATOM 933 C THR A 70 7.340 -3.295 6.193 1.00 0.00 C ATOM 934 O THR A 70 8.386 -3.744 5.725 1.00 0.00 O ATOM 935 CB THR A 70 5.879 -4.911 4.971 1.00 0.00 C ATOM 936 OG1 THR A 70 6.822 -5.755 5.638 1.00 0.00 O ATOM 937 CG2 THR A 70 6.084 -4.995 3.468 1.00 0.00 C ATOM 0 H THR A 70 6.322 -2.813 3.505 1.00 0.00 H new ATOM 0 HA THR A 70 5.201 -3.252 6.161 1.00 0.00 H new ATOM 0 HB THR A 70 4.869 -5.251 5.200 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.009 -6.540 5.082 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.981 -6.031 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.337 -4.381 2.964 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.081 -4.633 3.216 1.00 0.00 H new ATOM 945 N GLU A 71 7.278 -2.643 7.341 1.00 0.00 N ATOM 946 CA GLU A 71 8.453 -2.408 8.163 1.00 0.00 C ATOM 947 C GLU A 71 8.997 -3.725 8.703 1.00 0.00 C ATOM 948 O GLU A 71 10.032 -3.763 9.370 1.00 0.00 O ATOM 949 CB GLU A 71 8.081 -1.440 9.290 1.00 0.00 C ATOM 950 CG GLU A 71 9.112 -1.337 10.407 1.00 0.00 C ATOM 951 CD GLU A 71 8.705 -0.350 11.485 1.00 0.00 C ATOM 952 OE1 GLU A 71 7.979 -0.756 12.416 1.00 0.00 O ATOM 953 OE2 GLU A 71 9.111 0.827 11.396 1.00 0.00 O ATOM 0 H GLU A 71 6.415 -2.263 7.729 1.00 0.00 H new ATOM 0 HA GLU A 71 9.245 -1.959 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.927 -0.449 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.130 -1.753 9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.257 -2.320 10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.071 -1.035 9.985 1.00 0.00 H new ATOM 960 N ALA A 72 8.305 -4.811 8.383 1.00 0.00 N ATOM 961 CA ALA A 72 8.711 -6.125 8.845 1.00 0.00 C ATOM 962 C ALA A 72 9.556 -6.872 7.809 1.00 0.00 C ATOM 963 O ALA A 72 10.405 -7.685 8.175 1.00 0.00 O ATOM 964 CB ALA A 72 7.492 -6.949 9.229 1.00 0.00 C ATOM 0 H ALA A 72 7.463 -4.805 7.807 1.00 0.00 H new ATOM 0 HA ALA A 72 9.338 -5.978 9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.811 -7.932 9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.948 -6.444 10.027 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.841 -7.062 8.362 1.00 0.00 H new ATOM 970 N CYS A 73 9.330 -6.604 6.522 1.00 0.00 N ATOM 971 CA CYS A 73 10.092 -7.278 5.468 1.00 0.00 C ATOM 972 C CYS A 73 10.880 -6.288 4.649 1.00 0.00 C ATOM 973 O CYS A 73 11.539 -6.667 3.682 1.00 0.00 O ATOM 974 CB CYS A 73 9.174 -8.022 4.498 1.00 0.00 C ATOM 975 SG CYS A 73 7.781 -8.894 5.274 1.00 0.00 S ATOM 0 H CYS A 73 8.636 -5.935 6.187 1.00 0.00 H new ATOM 0 HA CYS A 73 10.755 -7.977 5.977 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.779 -7.308 3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.769 -8.744 3.940 1.00 0.00 H new ATOM 980 N LYS A 74 10.833 -5.026 5.029 1.00 0.00 N ATOM 981 CA LYS A 74 11.495 -4.018 4.240 1.00 0.00 C ATOM 982 C LYS A 74 13.006 -4.114 4.237 1.00 0.00 C ATOM 983 O LYS A 74 13.583 -5.200 4.171 1.00 0.00 O ATOM 984 CB LYS A 74 11.064 -2.615 4.612 1.00 0.00 C ATOM 985 CG LYS A 74 11.116 -1.685 3.413 1.00 0.00 C ATOM 986 CD LYS A 74 11.947 -0.467 3.680 1.00 0.00 C ATOM 987 CE LYS A 74 13.212 -0.376 2.892 1.00 0.00 C ATOM 988 NZ LYS A 74 13.382 0.962 2.263 1.00 0.00 N ATOM 0 H LYS A 74 10.353 -4.684 5.861 1.00 0.00 H new ATOM 0 HA LYS A 74 11.168 -4.229 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.051 -2.638 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.711 -2.231 5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.524 -2.221 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.104 -1.381 3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.344 0.417 3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.196 -0.442 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.061 -0.580 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.213 -1.143 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.046 0.889 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.462 1.303 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.757 1.631 2.966 1.00 0.00 H new ATOM 1002 N GLY A 75 13.636 -2.953 4.312 1.00 0.00 N ATOM 1003 CA GLY A 75 15.057 -2.883 4.199 1.00 0.00 C ATOM 1004 C GLY A 75 15.359 -2.935 2.729 1.00 0.00 C ATOM 1005 O GLY A 75 16.498 -3.140 2.306 1.00 0.00 O ATOM 0 H GLY A 75 13.173 -2.055 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.439 -1.964 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.531 -3.712 4.724 1.00 0.00 H new ATOM 1009 N CYS A 76 14.285 -2.738 1.945 1.00 0.00 N ATOM 1010 CA CYS A 76 14.361 -2.795 0.510 1.00 0.00 C ATOM 1011 C CYS A 76 13.216 -2.060 -0.228 1.00 0.00 C ATOM 1012 O CYS A 76 13.479 -1.183 -1.046 1.00 0.00 O ATOM 1013 CB CYS A 76 14.299 -4.262 0.093 1.00 0.00 C ATOM 1014 SG CYS A 76 15.894 -5.138 0.077 1.00 0.00 S ATOM 0 H CYS A 76 13.352 -2.537 2.305 1.00 0.00 H new ATOM 0 HA CYS A 76 15.290 -2.297 0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.623 -4.786 0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.862 -4.320 -0.904 1.00 0.00 H new ATOM 1019 N LEU A 77 11.954 -2.357 0.111 1.00 0.00 N ATOM 1020 CA LEU A 77 10.818 -1.860 -0.706 1.00 0.00 C ATOM 1021 C LEU A 77 9.765 -0.933 -0.045 1.00 0.00 C ATOM 1022 O LEU A 77 8.728 -0.708 -0.658 1.00 0.00 O ATOM 1023 CB LEU A 77 10.101 -3.112 -1.230 1.00 0.00 C ATOM 1024 CG LEU A 77 8.979 -2.914 -2.259 1.00 0.00 C ATOM 1025 CD1 LEU A 77 9.531 -2.422 -3.579 1.00 0.00 C ATOM 1026 CD2 LEU A 77 8.210 -4.208 -2.463 1.00 0.00 C ATOM 0 H LEU A 77 11.689 -2.921 0.919 1.00 0.00 H new ATOM 0 HA LEU A 77 11.268 -1.208 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.851 -3.767 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.682 -3.641 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 77 8.298 -2.157 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.714 -2.291 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.038 -1.469 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.239 -3.152 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.419 -4.049 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.888 -4.981 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.771 -4.523 -1.517 1.00 0.00 H new ATOM 1038 N TRP A 78 9.977 -0.380 1.148 1.00 0.00 N ATOM 1039 CA TRP A 78 8.942 0.490 1.746 1.00 0.00 C ATOM 1040 C TRP A 78 8.233 1.325 0.686 1.00 0.00 C ATOM 1041 O TRP A 78 6.991 1.240 0.606 1.00 0.00 O ATOM 1042 CB TRP A 78 9.499 1.427 2.834 1.00 0.00 C ATOM 1043 CG TRP A 78 9.359 0.890 4.230 1.00 0.00 C ATOM 1044 CD1 TRP A 78 8.456 -0.011 4.670 1.00 0.00 C ATOM 1045 CD2 TRP A 78 10.207 1.182 5.340 1.00 0.00 C ATOM 1046 NE1 TRP A 78 8.664 -0.287 5.997 1.00 0.00 N ATOM 1047 CE2 TRP A 78 9.739 0.441 6.429 1.00 0.00 C ATOM 1048 CE3 TRP A 78 11.315 2.004 5.508 1.00 0.00 C ATOM 1049 CZ2 TRP A 78 10.341 0.498 7.673 1.00 0.00 C ATOM 1050 CZ3 TRP A 78 11.920 2.065 6.747 1.00 0.00 C ATOM 1051 CH2 TRP A 78 11.427 1.316 7.820 1.00 0.00 C ATOM 1052 OXT TRP A 78 8.923 2.045 -0.060 1.00 0.00 O ATOM 0 H TRP A 78 10.819 -0.506 1.709 1.00 0.00 H new ATOM 0 HA TRP A 78 8.230 -0.188 2.216 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.553 1.616 2.632 1.00 0.00 H new ATOM 0 HB3 TRP A 78 8.985 2.386 2.771 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.679 -0.452 4.063 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.110 -0.927 6.566 1.00 0.00 H new ATOM 0 HE3 TRP A 78 11.697 2.586 4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 9.966 -0.085 8.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 12.783 2.698 6.889 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.913 1.385 8.782 1.00 0.00 H new TER 1063 TRP A 78 ATOM 1064 N ASP B 1 2.239 13.439 -5.252 1.00 0.00 N ATOM 1065 CA ASP B 1 3.324 12.605 -4.675 1.00 0.00 C ATOM 1066 C ASP B 1 3.243 12.589 -3.152 1.00 0.00 C ATOM 1067 O ASP B 1 2.568 13.424 -2.549 1.00 0.00 O ATOM 1068 CB ASP B 1 4.689 13.138 -5.113 1.00 0.00 C ATOM 1069 CG ASP B 1 4.927 14.563 -4.652 1.00 0.00 C ATOM 1070 OD1 ASP B 1 5.399 14.746 -3.510 1.00 0.00 O ATOM 1071 OD2 ASP B 1 4.641 15.495 -5.432 1.00 0.00 O ATOM 0 H1 ASP B 1 2.643 14.109 -5.937 1.00 0.00 H new ATOM 0 H2 ASP B 1 1.549 12.827 -5.732 1.00 0.00 H new ATOM 0 H3 ASP B 1 1.764 13.966 -4.491 1.00 0.00 H new ATOM 0 HA ASP B 1 3.201 11.586 -5.042 1.00 0.00 H new ATOM 0 HB2 ASP B 1 5.473 12.494 -4.714 1.00 0.00 H new ATOM 0 HB3 ASP B 1 4.762 13.093 -6.200 1.00 0.00 H new ATOM 1078 N GLN B 2 3.934 11.635 -2.537 1.00 0.00 N ATOM 1079 CA GLN B 2 3.942 11.513 -1.085 1.00 0.00 C ATOM 1080 C GLN B 2 5.365 11.649 -0.537 1.00 0.00 C ATOM 1081 O GLN B 2 6.309 11.098 -1.104 1.00 0.00 O ATOM 1082 CB GLN B 2 3.333 10.175 -0.662 1.00 0.00 C ATOM 1083 CG GLN B 2 1.839 10.088 -0.911 1.00 0.00 C ATOM 1084 CD GLN B 2 1.044 11.029 -0.029 1.00 0.00 C ATOM 1085 OE1 GLN B 2 -0.092 11.494 -0.535 1.00 0.00 O flip ATOM 1086 NE2 GLN B 2 1.446 11.337 1.094 1.00 0.00 N flip ATOM 0 H GLN B 2 4.496 10.935 -3.022 1.00 0.00 H new ATOM 0 HA GLN B 2 3.338 12.319 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN B 2 3.831 9.370 -1.202 1.00 0.00 H new ATOM 0 HB3 GLN B 2 3.527 10.015 0.399 1.00 0.00 H new ATOM 0 HG2 GLN B 2 1.635 10.317 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN B 2 1.505 9.065 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN B 2 2.325 10.956 1.443 1.00 0.00 H new ATOM 0 HE22 GLN B 2 0.900 11.973 1.675 1.00 0.00 H new ATOM 1095 N PRO B 3 5.533 12.390 0.580 1.00 0.00 N ATOM 1096 CA PRO B 3 6.848 12.611 1.196 1.00 0.00 C ATOM 1097 C PRO B 3 7.579 11.316 1.528 1.00 0.00 C ATOM 1098 O PRO B 3 8.808 11.267 1.493 1.00 0.00 O ATOM 1099 CB PRO B 3 6.522 13.378 2.481 1.00 0.00 C ATOM 1100 CG PRO B 3 5.208 14.022 2.216 1.00 0.00 C ATOM 1101 CD PRO B 3 4.458 13.069 1.330 1.00 0.00 C ATOM 0 HA PRO B 3 7.516 13.142 0.518 1.00 0.00 H new ATOM 0 HB2 PRO B 3 6.468 12.708 3.339 1.00 0.00 H new ATOM 0 HB3 PRO B 3 7.289 14.120 2.704 1.00 0.00 H new ATOM 0 HG2 PRO B 3 4.666 14.202 3.144 1.00 0.00 H new ATOM 0 HG3 PRO B 3 5.337 14.989 1.730 1.00 0.00 H new ATOM 0 HD2 PRO B 3 3.863 12.363 1.910 1.00 0.00 H new ATOM 0 HD3 PRO B 3 3.772 13.593 0.665 1.00 0.00 H new ATOM 1109 N SER B 4 6.828 10.268 1.858 1.00 0.00 N ATOM 1110 CA SER B 4 7.435 8.984 2.197 1.00 0.00 C ATOM 1111 C SER B 4 6.483 7.847 1.893 1.00 0.00 C ATOM 1112 O SER B 4 5.366 8.077 1.450 1.00 0.00 O ATOM 1113 CB SER B 4 7.809 8.952 3.675 1.00 0.00 C ATOM 1114 OG SER B 4 8.644 7.845 3.969 1.00 0.00 O ATOM 0 H SER B 4 5.809 10.281 1.898 1.00 0.00 H new ATOM 0 HA SER B 4 8.335 8.863 1.593 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.319 9.877 3.944 1.00 0.00 H new ATOM 0 HB3 SER B 4 6.904 8.899 4.281 1.00 0.00 H new ATOM 0 HG SER B 4 8.870 7.850 4.923 1.00 0.00 H new ATOM 1120 N VAL B 5 6.926 6.619 2.130 1.00 0.00 N ATOM 1121 CA VAL B 5 6.079 5.464 1.884 1.00 0.00 C ATOM 1122 C VAL B 5 5.075 5.297 3.022 1.00 0.00 C ATOM 1123 O VAL B 5 3.873 5.189 2.787 1.00 0.00 O ATOM 1124 CB VAL B 5 6.898 4.160 1.690 1.00 0.00 C ATOM 1125 CG1 VAL B 5 8.367 4.466 1.406 1.00 0.00 C ATOM 1126 CG2 VAL B 5 6.744 3.221 2.885 1.00 0.00 C ATOM 0 H VAL B 5 7.856 6.400 2.488 1.00 0.00 H new ATOM 0 HA VAL B 5 5.544 5.647 0.952 1.00 0.00 H new ATOM 0 HB VAL B 5 6.495 3.645 0.818 1.00 0.00 H new ATOM 0 HG11 VAL B 5 8.914 3.533 1.275 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.445 5.063 0.498 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.791 5.021 2.243 1.00 0.00 H new ATOM 0 HG21 VAL B 5 7.330 2.318 2.716 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.097 3.720 3.787 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.694 2.954 3.005 1.00 0.00 H new ATOM 1136 N GLY B 6 5.575 5.287 4.258 1.00 0.00 N ATOM 1137 CA GLY B 6 4.704 5.134 5.405 1.00 0.00 C ATOM 1138 C GLY B 6 3.806 6.338 5.581 1.00 0.00 C ATOM 1139 O GLY B 6 2.613 6.202 5.855 1.00 0.00 O ATOM 0 H GLY B 6 6.566 5.382 4.481 1.00 0.00 H new ATOM 0 HA2 GLY B 6 4.095 4.238 5.284 1.00 0.00 H new ATOM 0 HA3 GLY B 6 5.305 4.992 6.303 1.00 0.00 H new ATOM 1143 N ASP B 7 4.386 7.525 5.421 1.00 0.00 N ATOM 1144 CA ASP B 7 3.631 8.763 5.534 1.00 0.00 C ATOM 1145 C ASP B 7 2.599 8.826 4.425 1.00 0.00 C ATOM 1146 O ASP B 7 1.502 9.356 4.608 1.00 0.00 O ATOM 1147 CB ASP B 7 4.566 9.969 5.442 1.00 0.00 C ATOM 1148 CG ASP B 7 5.514 10.060 6.622 1.00 0.00 C ATOM 1149 OD1 ASP B 7 6.564 9.382 6.593 1.00 0.00 O ATOM 1150 OD2 ASP B 7 5.206 10.806 7.574 1.00 0.00 O ATOM 0 H ASP B 7 5.376 7.652 5.213 1.00 0.00 H new ATOM 0 HA ASP B 7 3.130 8.786 6.502 1.00 0.00 H new ATOM 0 HB2 ASP B 7 5.144 9.907 4.520 1.00 0.00 H new ATOM 0 HB3 ASP B 7 3.972 10.881 5.386 1.00 0.00 H new ATOM 1155 N ALA B 8 2.967 8.283 3.269 1.00 0.00 N ATOM 1156 CA ALA B 8 2.072 8.253 2.128 1.00 0.00 C ATOM 1157 C ALA B 8 0.761 7.617 2.523 1.00 0.00 C ATOM 1158 O ALA B 8 -0.316 8.154 2.264 1.00 0.00 O ATOM 1159 CB ALA B 8 2.673 7.450 0.998 1.00 0.00 C ATOM 0 H ALA B 8 3.880 7.859 3.102 1.00 0.00 H new ATOM 0 HA ALA B 8 1.911 9.279 1.797 1.00 0.00 H new ATOM 0 HB1 ALA B 8 1.985 7.440 0.152 1.00 0.00 H new ATOM 0 HB2 ALA B 8 3.617 7.901 0.693 1.00 0.00 H new ATOM 0 HB3 ALA B 8 2.851 6.428 1.332 1.00 0.00 H new ATOM 1165 N PHE B 9 0.876 6.453 3.151 1.00 0.00 N ATOM 1166 CA PHE B 9 -0.270 5.705 3.596 1.00 0.00 C ATOM 1167 C PHE B 9 -1.191 6.584 4.422 1.00 0.00 C ATOM 1168 O PHE B 9 -2.346 6.745 4.074 1.00 0.00 O ATOM 1169 CB PHE B 9 0.182 4.481 4.376 1.00 0.00 C ATOM 1170 CG PHE B 9 0.382 3.301 3.485 1.00 0.00 C ATOM 1171 CD1 PHE B 9 -0.657 2.427 3.211 1.00 0.00 C ATOM 1172 CD2 PHE B 9 1.608 3.085 2.895 1.00 0.00 C ATOM 1173 CE1 PHE B 9 -0.465 1.360 2.359 1.00 0.00 C ATOM 1174 CE2 PHE B 9 1.804 2.019 2.052 1.00 0.00 C ATOM 1175 CZ PHE B 9 0.769 1.158 1.780 1.00 0.00 C ATOM 0 H PHE B 9 1.770 6.010 3.361 1.00 0.00 H new ATOM 0 HA PHE B 9 -0.835 5.364 2.728 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.113 4.705 4.897 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.560 4.240 5.137 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -1.623 2.582 3.667 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.425 3.762 3.098 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -1.280 0.684 2.146 1.00 0.00 H new ATOM 0 HE2 PHE B 9 2.773 1.857 1.603 1.00 0.00 H new ATOM 0 HZ PHE B 9 0.922 0.323 1.113 1.00 0.00 H new ATOM 1185 N ASP B 10 -0.658 7.234 5.451 1.00 0.00 N ATOM 1186 CA ASP B 10 -1.480 8.080 6.312 1.00 0.00 C ATOM 1187 C ASP B 10 -2.423 8.923 5.461 1.00 0.00 C ATOM 1188 O ASP B 10 -3.636 8.982 5.705 1.00 0.00 O ATOM 1189 CB ASP B 10 -0.583 8.979 7.157 1.00 0.00 C ATOM 1190 CG ASP B 10 -0.551 8.561 8.614 1.00 0.00 C ATOM 1191 OD1 ASP B 10 -1.528 8.853 9.338 1.00 0.00 O ATOM 1192 OD2 ASP B 10 0.449 7.941 9.032 1.00 0.00 O ATOM 0 H ASP B 10 0.328 7.193 5.708 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.074 7.451 6.975 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.430 8.959 6.754 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.934 10.008 7.085 1.00 0.00 H new ATOM 1197 N LYS B 11 -1.851 9.536 4.440 1.00 0.00 N ATOM 1198 CA LYS B 11 -2.605 10.358 3.507 1.00 0.00 C ATOM 1199 C LYS B 11 -3.631 9.503 2.777 1.00 0.00 C ATOM 1200 O LYS B 11 -4.806 9.857 2.673 1.00 0.00 O ATOM 1201 CB LYS B 11 -1.664 10.996 2.500 1.00 0.00 C ATOM 1202 CG LYS B 11 -2.280 12.137 1.748 1.00 0.00 C ATOM 1203 CD LYS B 11 -1.685 13.388 2.278 1.00 0.00 C ATOM 1204 CE LYS B 11 -2.550 14.606 2.003 1.00 0.00 C ATOM 1205 NZ LYS B 11 -1.996 15.834 2.638 1.00 0.00 N ATOM 0 H LYS B 11 -0.854 9.479 4.234 1.00 0.00 H new ATOM 0 HA LYS B 11 -3.120 11.142 4.063 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -0.774 11.352 3.020 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.336 10.237 1.789 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.086 12.042 0.680 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -3.362 12.142 1.876 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -1.535 13.288 3.353 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -0.702 13.536 1.832 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -2.631 14.759 0.927 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -3.558 14.427 2.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -2.615 16.643 2.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -1.942 15.698 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -1.044 16.019 2.263 1.00 0.00 H new ATOM 1219 N TYR B 12 -3.157 8.369 2.277 1.00 0.00 N ATOM 1220 CA TYR B 12 -3.987 7.425 1.548 1.00 0.00 C ATOM 1221 C TYR B 12 -5.150 6.942 2.371 1.00 0.00 C ATOM 1222 O TYR B 12 -6.296 7.121 2.003 1.00 0.00 O ATOM 1223 CB TYR B 12 -3.191 6.184 1.170 1.00 0.00 C ATOM 1224 CG TYR B 12 -3.909 5.320 0.151 1.00 0.00 C ATOM 1225 CD1 TYR B 12 -4.734 5.892 -0.816 1.00 0.00 C ATOM 1226 CD2 TYR B 12 -3.778 3.936 0.159 1.00 0.00 C ATOM 1227 CE1 TYR B 12 -5.401 5.114 -1.739 1.00 0.00 C ATOM 1228 CE2 TYR B 12 -4.445 3.155 -0.762 1.00 0.00 C ATOM 1229 CZ TYR B 12 -5.256 3.746 -1.707 1.00 0.00 C ATOM 1230 OH TYR B 12 -5.921 2.963 -2.623 1.00 0.00 O ATOM 0 H TYR B 12 -2.183 8.079 2.367 1.00 0.00 H new ATOM 0 HA TYR B 12 -4.340 7.961 0.667 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -2.224 6.485 0.768 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -2.995 5.596 2.066 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -4.853 6.965 -0.843 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -3.145 3.466 0.897 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -6.034 5.576 -2.483 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -4.332 2.081 -0.743 1.00 0.00 H new ATOM 0 HH TYR B 12 -6.888 3.078 -2.511 1.00 0.00 H new ATOM 1240 N ASN B 13 -4.819 6.347 3.497 1.00 0.00 N ATOM 1241 CA ASN B 13 -5.794 5.745 4.388 1.00 0.00 C ATOM 1242 C ASN B 13 -7.056 6.569 4.489 1.00 0.00 C ATOM 1243 O ASN B 13 -8.145 6.081 4.192 1.00 0.00 O ATOM 1244 CB ASN B 13 -5.207 5.589 5.781 1.00 0.00 C ATOM 1245 CG ASN B 13 -3.716 5.277 5.805 1.00 0.00 C ATOM 1246 OD1 ASN B 13 -3.187 4.676 4.738 1.00 0.00 O flip ATOM 1247 ND2 ASN B 13 -3.039 5.571 6.788 1.00 0.00 N flip ATOM 0 H ASN B 13 -3.857 6.266 3.825 1.00 0.00 H new ATOM 0 HA ASN B 13 -6.047 4.771 3.968 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -5.383 6.508 6.341 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -5.741 4.793 6.300 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -3.474 6.030 7.588 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -2.042 5.356 6.804 1.00 0.00 H new ATOM 1254 N GLU B 14 -6.919 7.805 4.915 1.00 0.00 N ATOM 1255 CA GLU B 14 -8.079 8.672 5.032 1.00 0.00 C ATOM 1256 C GLU B 14 -8.825 8.711 3.692 1.00 0.00 C ATOM 1257 O GLU B 14 -10.054 8.623 3.630 1.00 0.00 O ATOM 1258 CB GLU B 14 -7.623 10.078 5.440 1.00 0.00 C ATOM 1259 CG GLU B 14 -7.291 10.968 4.259 1.00 0.00 C ATOM 1260 CD GLU B 14 -6.363 12.110 4.625 1.00 0.00 C ATOM 1261 OE1 GLU B 14 -5.132 11.907 4.594 1.00 0.00 O ATOM 1262 OE2 GLU B 14 -6.869 13.207 4.942 1.00 0.00 O ATOM 0 H GLU B 14 -6.032 8.231 5.183 1.00 0.00 H new ATOM 0 HA GLU B 14 -8.756 8.288 5.796 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -8.408 10.549 6.032 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -6.746 9.996 6.082 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -6.829 10.367 3.476 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -8.214 11.374 3.846 1.00 0.00 H new ATOM 1269 N ALA B 15 -8.040 8.769 2.625 1.00 0.00 N ATOM 1270 CA ALA B 15 -8.537 8.860 1.260 1.00 0.00 C ATOM 1271 C ALA B 15 -9.140 7.566 0.734 1.00 0.00 C ATOM 1272 O ALA B 15 -10.132 7.595 0.005 1.00 0.00 O ATOM 1273 CB ALA B 15 -7.383 9.257 0.354 1.00 0.00 C ATOM 0 H ALA B 15 -7.022 8.754 2.685 1.00 0.00 H new ATOM 0 HA ALA B 15 -9.337 9.600 1.265 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -7.736 9.330 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -6.987 10.222 0.671 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -6.597 8.504 0.415 1.00 0.00 H new ATOM 1279 N VAL B 16 -8.555 6.434 1.094 1.00 0.00 N ATOM 1280 CA VAL B 16 -9.017 5.174 0.570 1.00 0.00 C ATOM 1281 C VAL B 16 -10.119 4.592 1.385 1.00 0.00 C ATOM 1282 O VAL B 16 -11.131 4.136 0.852 1.00 0.00 O ATOM 1283 CB VAL B 16 -7.872 4.171 0.406 1.00 0.00 C ATOM 1284 CG1 VAL B 16 -6.905 4.258 1.565 1.00 0.00 C ATOM 1285 CG2 VAL B 16 -8.400 2.756 0.234 1.00 0.00 C ATOM 0 H VAL B 16 -7.768 6.369 1.740 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.422 5.385 -0.420 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.328 4.431 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.102 3.535 1.424 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.485 5.263 1.614 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.430 4.039 2.495 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.563 2.067 0.120 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -8.984 2.476 1.111 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.032 2.709 -0.653 1.00 0.00 H new ATOM 1295 N ARG B 17 -9.922 4.601 2.669 1.00 0.00 N ATOM 1296 CA ARG B 17 -10.902 4.059 3.551 1.00 0.00 C ATOM 1297 C ARG B 17 -12.247 4.668 3.309 1.00 0.00 C ATOM 1298 O ARG B 17 -13.272 3.985 3.365 1.00 0.00 O ATOM 1299 CB ARG B 17 -10.437 4.182 4.993 1.00 0.00 C ATOM 1300 CG ARG B 17 -9.177 3.387 5.278 1.00 0.00 C ATOM 1301 CD ARG B 17 -9.007 2.210 4.329 1.00 0.00 C ATOM 1302 NE ARG B 17 -7.707 2.170 3.743 1.00 0.00 N ATOM 1303 CZ ARG B 17 -7.411 1.369 2.766 1.00 0.00 C ATOM 1304 NH1 ARG B 17 -8.193 0.349 2.468 1.00 0.00 N ATOM 1305 NH2 ARG B 17 -6.312 1.553 2.115 1.00 0.00 N ATOM 0 H ARG B 17 -9.091 4.978 3.126 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.018 2.995 3.345 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.257 5.232 5.223 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.233 3.842 5.656 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -8.310 4.043 5.197 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -9.206 3.021 6.304 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.188 1.281 4.870 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.757 2.271 3.540 1.00 0.00 H new ATOM 0 HE ARG B 17 -6.985 2.793 4.105 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.042 0.182 3.008 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.949 -0.273 1.697 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -5.690 2.320 2.371 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.065 0.932 1.345 1.00 0.00 H new ATOM 1319 N VAL B 18 -12.263 5.927 2.992 1.00 0.00 N ATOM 1320 CA VAL B 18 -13.515 6.553 2.723 1.00 0.00 C ATOM 1321 C VAL B 18 -14.010 6.152 1.342 1.00 0.00 C ATOM 1322 O VAL B 18 -15.152 5.763 1.188 1.00 0.00 O ATOM 1323 CB VAL B 18 -13.399 8.080 2.814 1.00 0.00 C ATOM 1324 CG1 VAL B 18 -12.875 8.473 4.186 1.00 0.00 C ATOM 1325 CG2 VAL B 18 -12.492 8.615 1.709 1.00 0.00 C ATOM 0 H VAL B 18 -11.442 6.527 2.915 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.231 6.220 3.475 1.00 0.00 H new ATOM 0 HB VAL B 18 -14.386 8.522 2.678 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -12.794 9.558 4.247 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -13.562 8.117 4.954 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.893 8.026 4.342 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.422 9.700 1.789 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.498 8.178 1.811 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -12.907 8.349 0.737 1.00 0.00 H new ATOM 1335 N PHE B 19 -13.107 6.119 0.369 1.00 0.00 N ATOM 1336 CA PHE B 19 -13.497 5.852 -1.007 1.00 0.00 C ATOM 1337 C PHE B 19 -14.161 4.483 -1.207 1.00 0.00 C ATOM 1338 O PHE B 19 -15.205 4.381 -1.873 1.00 0.00 O ATOM 1339 CB PHE B 19 -12.300 6.135 -1.967 1.00 0.00 C ATOM 1340 CG PHE B 19 -11.340 5.010 -2.322 1.00 0.00 C ATOM 1341 CD1 PHE B 19 -11.761 3.729 -2.598 1.00 0.00 C ATOM 1342 CD2 PHE B 19 -9.984 5.274 -2.395 1.00 0.00 C ATOM 1343 CE1 PHE B 19 -10.859 2.734 -2.917 1.00 0.00 C ATOM 1344 CE2 PHE B 19 -9.075 4.286 -2.715 1.00 0.00 C ATOM 1345 CZ PHE B 19 -9.515 3.011 -2.972 1.00 0.00 C ATOM 0 H PHE B 19 -12.108 6.273 0.507 1.00 0.00 H new ATOM 0 HA PHE B 19 -14.293 6.548 -1.271 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -12.714 6.518 -2.900 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -11.711 6.939 -1.526 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -12.816 3.498 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -9.629 6.275 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -11.211 1.734 -3.124 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -8.021 4.515 -2.763 1.00 0.00 H new ATOM 0 HZ PHE B 19 -8.809 2.231 -3.216 1.00 0.00 H new ATOM 1355 N THR B 20 -13.632 3.430 -0.600 1.00 0.00 N ATOM 1356 CA THR B 20 -14.223 2.129 -0.837 1.00 0.00 C ATOM 1357 C THR B 20 -15.447 1.881 0.018 1.00 0.00 C ATOM 1358 O THR B 20 -16.474 1.445 -0.503 1.00 0.00 O ATOM 1359 CB THR B 20 -13.221 0.988 -0.702 1.00 0.00 C ATOM 1360 OG1 THR B 20 -12.557 0.810 -1.944 1.00 0.00 O ATOM 1361 CG2 THR B 20 -13.917 -0.298 -0.305 1.00 0.00 C ATOM 0 H THR B 20 -12.831 3.448 0.032 1.00 0.00 H new ATOM 0 HA THR B 20 -14.549 2.147 -1.877 1.00 0.00 H new ATOM 0 HB THR B 20 -12.501 1.239 0.077 1.00 0.00 H new ATOM 0 HG1 THR B 20 -12.505 1.669 -2.413 1.00 0.00 H new ATOM 0 HG21 THR B 20 -13.181 -1.097 -0.215 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.420 -0.159 0.652 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.651 -0.564 -1.066 1.00 0.00 H new ATOM 1369 N GLN B 21 -15.368 2.127 1.321 1.00 0.00 N ATOM 1370 CA GLN B 21 -16.520 1.934 2.143 1.00 0.00 C ATOM 1371 C GLN B 21 -17.618 2.844 1.656 1.00 0.00 C ATOM 1372 O GLN B 21 -18.784 2.647 1.966 1.00 0.00 O ATOM 1373 CB GLN B 21 -16.179 2.162 3.600 1.00 0.00 C ATOM 1374 CG GLN B 21 -16.511 0.958 4.469 1.00 0.00 C ATOM 1375 CD GLN B 21 -16.354 -0.383 3.764 1.00 0.00 C ATOM 1376 OE1 GLN B 21 -17.109 -1.319 4.027 1.00 0.00 O ATOM 1377 NE2 GLN B 21 -15.361 -0.493 2.883 1.00 0.00 N ATOM 0 H GLN B 21 -14.532 2.452 1.807 1.00 0.00 H new ATOM 0 HA GLN B 21 -16.871 0.905 2.069 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.117 2.390 3.690 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -16.724 3.032 3.966 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -15.868 0.971 5.349 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -17.538 1.052 4.823 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -14.757 0.307 2.693 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -15.205 -1.377 2.398 1.00 0.00 H new ATOM 1386 N LEU B 22 -17.238 3.854 0.888 1.00 0.00 N ATOM 1387 CA LEU B 22 -18.232 4.718 0.299 1.00 0.00 C ATOM 1388 C LEU B 22 -19.122 3.837 -0.549 1.00 0.00 C ATOM 1389 O LEU B 22 -20.344 3.957 -0.517 1.00 0.00 O ATOM 1390 CB LEU B 22 -17.602 5.825 -0.554 1.00 0.00 C ATOM 1391 CG LEU B 22 -17.185 7.108 0.190 1.00 0.00 C ATOM 1392 CD1 LEU B 22 -17.836 8.318 -0.450 1.00 0.00 C ATOM 1393 CD2 LEU B 22 -17.523 7.054 1.681 1.00 0.00 C ATOM 0 H LEU B 22 -16.270 4.087 0.666 1.00 0.00 H new ATOM 0 HA LEU B 22 -18.797 5.225 1.082 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.722 5.416 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -18.310 6.098 -1.337 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.101 7.190 0.108 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.534 9.219 0.084 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.523 8.392 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -18.920 8.215 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -17.209 7.982 2.159 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.598 6.927 1.806 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -17.003 6.214 2.142 1.00 0.00 H new ATOM 1405 N SER B 23 -18.494 2.928 -1.303 1.00 0.00 N ATOM 1406 CA SER B 23 -19.256 1.990 -2.123 1.00 0.00 C ATOM 1407 C SER B 23 -19.948 0.923 -1.255 1.00 0.00 C ATOM 1408 O SER B 23 -21.140 0.661 -1.421 1.00 0.00 O ATOM 1409 CB SER B 23 -18.364 1.324 -3.179 1.00 0.00 C ATOM 1410 OG SER B 23 -18.058 2.231 -4.223 1.00 0.00 O ATOM 0 H SER B 23 -17.481 2.825 -1.360 1.00 0.00 H new ATOM 0 HA SER B 23 -20.027 2.562 -2.639 1.00 0.00 H new ATOM 0 HB2 SER B 23 -17.443 0.973 -2.714 1.00 0.00 H new ATOM 0 HB3 SER B 23 -18.868 0.448 -3.588 1.00 0.00 H new ATOM 0 HG SER B 23 -17.157 2.592 -4.089 1.00 0.00 H new ATOM 1416 N SER B 24 -19.204 0.310 -0.330 1.00 0.00 N ATOM 1417 CA SER B 24 -19.768 -0.726 0.545 1.00 0.00 C ATOM 1418 C SER B 24 -20.834 -0.176 1.472 1.00 0.00 C ATOM 1419 O SER B 24 -21.984 -0.613 1.430 1.00 0.00 O ATOM 1420 CB SER B 24 -18.682 -1.382 1.382 1.00 0.00 C ATOM 1421 OG SER B 24 -19.218 -1.928 2.576 1.00 0.00 O ATOM 0 H SER B 24 -18.217 0.510 -0.167 1.00 0.00 H new ATOM 0 HA SER B 24 -20.227 -1.465 -0.112 1.00 0.00 H new ATOM 0 HB2 SER B 24 -18.198 -2.169 0.804 1.00 0.00 H new ATOM 0 HB3 SER B 24 -17.914 -0.648 1.627 1.00 0.00 H new ATOM 0 HG SER B 24 -18.717 -1.586 3.346 1.00 0.00 H new ATOM 1427 N ALA B 25 -20.438 0.760 2.325 1.00 0.00 N ATOM 1428 CA ALA B 25 -21.364 1.368 3.264 1.00 0.00 C ATOM 1429 C ALA B 25 -22.616 1.787 2.518 1.00 0.00 C ATOM 1430 O ALA B 25 -23.722 1.732 3.050 1.00 0.00 O ATOM 1431 CB ALA B 25 -20.715 2.563 3.961 1.00 0.00 C ATOM 0 H ALA B 25 -19.483 1.112 2.384 1.00 0.00 H new ATOM 0 HA ALA B 25 -21.631 0.645 4.035 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -21.424 3.005 4.661 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -19.829 2.231 4.503 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -20.428 3.306 3.217 1.00 0.00 H new ATOM 1437 N ALA B 26 -22.424 2.170 1.260 1.00 0.00 N ATOM 1438 CA ALA B 26 -23.527 2.592 0.412 1.00 0.00 C ATOM 1439 C ALA B 26 -24.557 1.481 0.237 1.00 0.00 C ATOM 1440 O ALA B 26 -25.759 1.747 0.254 1.00 0.00 O ATOM 1441 CB ALA B 26 -23.021 3.063 -0.944 1.00 0.00 C ATOM 0 H ALA B 26 -21.511 2.196 0.806 1.00 0.00 H new ATOM 0 HA ALA B 26 -24.017 3.428 0.910 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -23.865 3.373 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -22.343 3.905 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -22.492 2.248 -1.438 1.00 0.00 H new ATOM 1447 N ASN B 27 -24.104 0.233 0.068 1.00 0.00 N ATOM 1448 CA ASN B 27 -25.056 -0.863 -0.116 1.00 0.00 C ATOM 1449 C ASN B 27 -24.485 -2.269 0.125 1.00 0.00 C ATOM 1450 O ASN B 27 -25.178 -3.114 0.691 1.00 0.00 O ATOM 1451 CB ASN B 27 -25.655 -0.799 -1.524 1.00 0.00 C ATOM 1452 CG ASN B 27 -24.652 -0.373 -2.584 1.00 0.00 C ATOM 1453 OD1 ASN B 27 -23.364 -0.558 -2.311 1.00 0.00 O flip ATOM 1454 ND2 ASN B 27 -25.034 0.132 -3.641 1.00 0.00 N flip ATOM 0 H ASN B 27 -23.120 -0.036 0.055 1.00 0.00 H new ATOM 0 HA ASN B 27 -25.816 -0.713 0.651 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -26.056 -1.778 -1.786 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -26.492 -0.101 -1.524 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -26.031 0.258 -3.815 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -24.353 0.424 -4.342 1.00 0.00 H new ATOM 1461 N CYS B 28 -23.239 -2.533 -0.280 1.00 0.00 N ATOM 1462 CA CYS B 28 -22.679 -3.880 -0.131 1.00 0.00 C ATOM 1463 C CYS B 28 -21.217 -3.943 -0.559 1.00 0.00 C ATOM 1464 O CYS B 28 -20.699 -3.009 -1.132 1.00 0.00 O ATOM 1465 CB CYS B 28 -23.509 -4.838 -0.996 1.00 0.00 C ATOM 1466 SG CYS B 28 -22.567 -6.136 -1.855 1.00 0.00 S ATOM 0 H CYS B 28 -22.611 -1.850 -0.704 1.00 0.00 H new ATOM 0 HA CYS B 28 -22.719 -4.161 0.921 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -24.257 -5.315 -0.363 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -24.048 -4.252 -1.740 1.00 0.00 H new ATOM 1471 N ASP B 29 -20.554 -5.053 -0.254 1.00 0.00 N ATOM 1472 CA ASP B 29 -19.157 -5.264 -0.647 1.00 0.00 C ATOM 1473 C ASP B 29 -19.055 -6.445 -1.614 1.00 0.00 C ATOM 1474 O ASP B 29 -19.839 -7.389 -1.512 1.00 0.00 O ATOM 1475 CB ASP B 29 -18.290 -5.534 0.584 1.00 0.00 C ATOM 1476 CG ASP B 29 -19.083 -6.116 1.736 1.00 0.00 C ATOM 1477 OD1 ASP B 29 -19.237 -7.355 1.786 1.00 0.00 O ATOM 1478 OD2 ASP B 29 -19.554 -5.334 2.589 1.00 0.00 O ATOM 0 H ASP B 29 -20.962 -5.829 0.268 1.00 0.00 H new ATOM 0 HA ASP B 29 -18.799 -4.361 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -17.488 -6.221 0.316 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -17.820 -4.604 0.904 1.00 0.00 H new ATOM 1483 N TRP B 30 -18.096 -6.415 -2.551 1.00 0.00 N ATOM 1484 CA TRP B 30 -17.963 -7.531 -3.486 1.00 0.00 C ATOM 1485 C TRP B 30 -17.523 -8.765 -2.707 1.00 0.00 C ATOM 1486 O TRP B 30 -18.080 -9.850 -2.875 1.00 0.00 O ATOM 1487 CB TRP B 30 -17.003 -7.224 -4.666 1.00 0.00 C ATOM 1488 CG TRP B 30 -15.686 -6.662 -4.286 1.00 0.00 C ATOM 1489 CD1 TRP B 30 -14.687 -7.242 -3.574 1.00 0.00 C ATOM 1490 CD2 TRP B 30 -15.227 -5.382 -4.661 1.00 0.00 C ATOM 1491 NE1 TRP B 30 -13.648 -6.357 -3.428 1.00 0.00 N ATOM 1492 CE2 TRP B 30 -13.966 -5.204 -4.095 1.00 0.00 C ATOM 1493 CE3 TRP B 30 -15.787 -4.357 -5.408 1.00 0.00 C ATOM 1494 CZ2 TRP B 30 -13.257 -4.029 -4.251 1.00 0.00 C ATOM 1495 CZ3 TRP B 30 -15.086 -3.194 -5.571 1.00 0.00 C ATOM 1496 CH2 TRP B 30 -13.836 -3.030 -4.996 1.00 0.00 C ATOM 0 H TRP B 30 -17.425 -5.657 -2.677 1.00 0.00 H new ATOM 0 HA TRP B 30 -18.933 -7.711 -3.950 1.00 0.00 H new ATOM 0 HB2 TRP B 30 -16.838 -8.144 -5.226 1.00 0.00 H new ATOM 0 HB3 TRP B 30 -17.496 -6.524 -5.341 1.00 0.00 H new ATOM 0 HD1 TRP B 30 -14.706 -8.248 -3.182 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -12.786 -6.529 -2.911 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -16.763 -4.475 -5.855 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -12.283 -3.900 -3.804 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -15.513 -2.393 -6.156 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -13.307 -2.099 -5.136 1.00 0.00 H new ATOM 1507 N ALA B 31 -16.541 -8.557 -1.824 1.00 0.00 N ATOM 1508 CA ALA B 31 -16.005 -9.598 -0.950 1.00 0.00 C ATOM 1509 C ALA B 31 -15.206 -10.647 -1.719 1.00 0.00 C ATOM 1510 O ALA B 31 -14.115 -11.048 -1.310 1.00 0.00 O ATOM 1511 CB ALA B 31 -17.134 -10.249 -0.173 1.00 0.00 C ATOM 0 H ALA B 31 -16.093 -7.650 -1.697 1.00 0.00 H new ATOM 0 HA ALA B 31 -15.313 -9.122 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -16.729 -11.024 0.477 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -17.641 -9.497 0.432 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -17.845 -10.694 -0.869 1.00 0.00 H new ATOM 1517 N ALA B 32 -15.752 -11.089 -2.833 1.00 0.00 N ATOM 1518 CA ALA B 32 -15.099 -12.095 -3.654 1.00 0.00 C ATOM 1519 C ALA B 32 -13.838 -11.541 -4.305 1.00 0.00 C ATOM 1520 O ALA B 32 -12.797 -12.204 -4.343 1.00 0.00 O ATOM 1521 CB ALA B 32 -16.058 -12.613 -4.714 1.00 0.00 C ATOM 0 H ALA B 32 -16.650 -10.768 -3.194 1.00 0.00 H new ATOM 0 HA ALA B 32 -14.807 -12.922 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -15.556 -13.366 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -16.928 -13.058 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -16.378 -11.787 -5.350 1.00 0.00 H new ATOM 1527 N CYS B 33 -13.930 -10.315 -4.804 1.00 0.00 N ATOM 1528 CA CYS B 33 -12.800 -9.687 -5.467 1.00 0.00 C ATOM 1529 C CYS B 33 -11.665 -9.387 -4.506 1.00 0.00 C ATOM 1530 O CYS B 33 -10.522 -9.685 -4.796 1.00 0.00 O ATOM 1531 CB CYS B 33 -13.218 -8.408 -6.172 1.00 0.00 C ATOM 1532 SG CYS B 33 -12.694 -8.341 -7.919 1.00 0.00 S ATOM 0 H CYS B 33 -14.772 -9.740 -4.762 1.00 0.00 H new ATOM 0 HA CYS B 33 -12.440 -10.404 -6.205 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -14.303 -8.311 -6.121 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -12.797 -7.554 -5.641 1.00 0.00 H new ATOM 1537 N LEU B 34 -11.961 -8.793 -3.367 1.00 0.00 N ATOM 1538 CA LEU B 34 -10.903 -8.474 -2.426 1.00 0.00 C ATOM 1539 C LEU B 34 -10.061 -9.702 -2.125 1.00 0.00 C ATOM 1540 O LEU B 34 -8.846 -9.603 -1.954 1.00 0.00 O ATOM 1541 CB LEU B 34 -11.460 -7.849 -1.162 1.00 0.00 C ATOM 1542 CG LEU B 34 -12.818 -8.384 -0.736 1.00 0.00 C ATOM 1543 CD1 LEU B 34 -12.659 -9.392 0.389 1.00 0.00 C ATOM 1544 CD2 LEU B 34 -13.721 -7.242 -0.322 1.00 0.00 C ATOM 0 H LEU B 34 -12.901 -8.526 -3.074 1.00 0.00 H new ATOM 0 HA LEU B 34 -10.251 -7.733 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -10.750 -8.009 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -11.538 -6.772 -1.309 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.280 -8.894 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -13.639 -9.766 0.683 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -12.041 -10.223 0.049 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -12.183 -8.911 1.243 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -14.691 -7.637 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.270 -6.706 0.513 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -13.853 -6.560 -1.162 1.00 0.00 H new ATOM 1556 N SER B 35 -10.702 -10.861 -2.063 1.00 0.00 N ATOM 1557 CA SER B 35 -9.972 -12.098 -1.846 1.00 0.00 C ATOM 1558 C SER B 35 -8.974 -12.271 -2.984 1.00 0.00 C ATOM 1559 O SER B 35 -7.867 -12.774 -2.801 1.00 0.00 O ATOM 1560 CB SER B 35 -10.936 -13.281 -1.823 1.00 0.00 C ATOM 1561 OG SER B 35 -10.252 -14.496 -1.566 1.00 0.00 O ATOM 0 H SER B 35 -11.712 -10.969 -2.159 1.00 0.00 H new ATOM 0 HA SER B 35 -9.452 -12.058 -0.889 1.00 0.00 H new ATOM 0 HB2 SER B 35 -11.695 -13.120 -1.058 1.00 0.00 H new ATOM 0 HB3 SER B 35 -11.456 -13.348 -2.779 1.00 0.00 H new ATOM 0 HG SER B 35 -10.894 -15.237 -1.555 1.00 0.00 H new ATOM 1567 N SER B 36 -9.408 -11.831 -4.162 1.00 0.00 N ATOM 1568 CA SER B 36 -8.605 -11.892 -5.390 1.00 0.00 C ATOM 1569 C SER B 36 -7.223 -11.237 -5.226 1.00 0.00 C ATOM 1570 O SER B 36 -6.225 -11.778 -5.699 1.00 0.00 O ATOM 1571 CB SER B 36 -9.367 -11.225 -6.542 1.00 0.00 C ATOM 1572 OG SER B 36 -9.031 -11.810 -7.788 1.00 0.00 O ATOM 0 H SER B 36 -10.331 -11.419 -4.297 1.00 0.00 H new ATOM 0 HA SER B 36 -8.436 -12.945 -5.614 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.440 -11.316 -6.372 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.137 -10.160 -6.564 1.00 0.00 H new ATOM 0 HG SER B 36 -9.533 -11.366 -8.504 1.00 0.00 H new ATOM 1578 N LEU B 37 -7.158 -10.068 -4.581 1.00 0.00 N ATOM 1579 CA LEU B 37 -5.864 -9.400 -4.372 1.00 0.00 C ATOM 1580 C LEU B 37 -5.042 -10.271 -3.468 1.00 0.00 C ATOM 1581 O LEU B 37 -3.930 -10.668 -3.803 1.00 0.00 O ATOM 1582 CB LEU B 37 -6.005 -8.005 -3.739 1.00 0.00 C ATOM 1583 CG LEU B 37 -4.770 -7.493 -2.990 1.00 0.00 C ATOM 1584 CD1 LEU B 37 -3.636 -7.203 -3.957 1.00 0.00 C ATOM 1585 CD2 LEU B 37 -5.104 -6.265 -2.170 1.00 0.00 C ATOM 0 H LEU B 37 -7.964 -9.572 -4.201 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.392 -9.258 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.253 -7.292 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.847 -8.023 -3.047 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.442 -8.276 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.770 -6.841 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.370 -8.116 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.953 -6.444 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.211 -5.922 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.466 -5.475 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -5.876 -6.513 -1.442 1.00 0.00 H new ATOM 1597 N SER B 38 -5.627 -10.578 -2.320 1.00 0.00 N ATOM 1598 CA SER B 38 -4.984 -11.428 -1.342 1.00 0.00 C ATOM 1599 C SER B 38 -4.840 -12.845 -1.889 1.00 0.00 C ATOM 1600 O SER B 38 -4.369 -13.744 -1.200 1.00 0.00 O ATOM 1601 CB SER B 38 -5.784 -11.431 -0.036 1.00 0.00 C ATOM 1602 OG SER B 38 -6.316 -12.716 0.240 1.00 0.00 O ATOM 0 H SER B 38 -6.552 -10.246 -2.046 1.00 0.00 H new ATOM 0 HA SER B 38 -3.988 -11.036 -1.134 1.00 0.00 H new ATOM 0 HB2 SER B 38 -5.142 -11.117 0.787 1.00 0.00 H new ATOM 0 HB3 SER B 38 -6.595 -10.706 -0.102 1.00 0.00 H new ATOM 0 HG SER B 38 -6.820 -12.688 1.080 1.00 0.00 H new ATOM 1608 N ALA B 39 -5.261 -13.035 -3.137 1.00 0.00 N ATOM 1609 CA ALA B 39 -5.162 -14.331 -3.793 1.00 0.00 C ATOM 1610 C ALA B 39 -3.833 -14.444 -4.526 1.00 0.00 C ATOM 1611 O ALA B 39 -3.013 -15.295 -4.186 1.00 0.00 O ATOM 1612 CB ALA B 39 -6.325 -14.541 -4.752 1.00 0.00 C ATOM 0 H ALA B 39 -5.675 -12.303 -3.714 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.209 -15.111 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.230 -15.516 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.264 -14.497 -4.200 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -6.315 -13.761 -5.513 1.00 0.00 H new ATOM 1618 N SER B 40 -3.643 -13.565 -5.527 1.00 0.00 N ATOM 1619 CA SER B 40 -2.411 -13.504 -6.330 1.00 0.00 C ATOM 1620 C SER B 40 -2.688 -13.035 -7.753 1.00 0.00 C ATOM 1621 O SER B 40 -3.304 -13.751 -8.544 1.00 0.00 O ATOM 1622 CB SER B 40 -1.696 -14.860 -6.399 1.00 0.00 C ATOM 1623 OG SER B 40 -2.573 -15.878 -6.847 1.00 0.00 O ATOM 0 H SER B 40 -4.343 -12.875 -5.801 1.00 0.00 H new ATOM 0 HA SER B 40 -1.767 -12.784 -5.825 1.00 0.00 H new ATOM 0 HB2 SER B 40 -0.842 -14.790 -7.072 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.306 -15.119 -5.415 1.00 0.00 H new ATOM 0 HG SER B 40 -3.165 -15.518 -7.540 1.00 0.00 H new ATOM 1629 N SER B 41 -2.234 -11.827 -8.073 1.00 0.00 N ATOM 1630 CA SER B 41 -2.388 -11.291 -9.417 1.00 0.00 C ATOM 1631 C SER B 41 -1.012 -11.125 -10.024 1.00 0.00 C ATOM 1632 O SER B 41 -0.101 -10.614 -9.377 1.00 0.00 O ATOM 1633 CB SER B 41 -3.115 -9.944 -9.426 1.00 0.00 C ATOM 1634 OG SER B 41 -3.852 -9.773 -10.624 1.00 0.00 O ATOM 0 H SER B 41 -1.758 -11.204 -7.421 1.00 0.00 H new ATOM 0 HA SER B 41 -2.994 -11.988 -9.996 1.00 0.00 H new ATOM 0 HB2 SER B 41 -3.787 -9.884 -8.570 1.00 0.00 H new ATOM 0 HB3 SER B 41 -2.392 -9.135 -9.321 1.00 0.00 H new ATOM 0 HG SER B 41 -4.309 -8.906 -10.606 1.00 0.00 H new ATOM 1640 N ALA B 42 -0.871 -11.544 -11.267 1.00 0.00 N ATOM 1641 CA ALA B 42 0.409 -11.452 -11.963 1.00 0.00 C ATOM 1642 C ALA B 42 0.882 -10.011 -12.011 1.00 0.00 C ATOM 1643 O ALA B 42 2.014 -9.718 -12.399 1.00 0.00 O ATOM 1644 CB ALA B 42 0.284 -12.014 -13.369 1.00 0.00 C ATOM 0 H ALA B 42 -1.624 -11.952 -11.820 1.00 0.00 H new ATOM 0 HA ALA B 42 1.146 -12.040 -11.416 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.245 -11.940 -13.877 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -0.019 -13.060 -13.317 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -0.464 -11.446 -13.923 1.00 0.00 H new ATOM 1650 N ALA B 43 -0.001 -9.119 -11.596 1.00 0.00 N ATOM 1651 CA ALA B 43 0.273 -7.700 -11.611 1.00 0.00 C ATOM 1652 C ALA B 43 0.976 -7.211 -10.359 1.00 0.00 C ATOM 1653 O ALA B 43 2.092 -6.716 -10.442 1.00 0.00 O ATOM 1654 CB ALA B 43 -1.033 -6.948 -11.819 1.00 0.00 C ATOM 0 H ALA B 43 -0.926 -9.362 -11.240 1.00 0.00 H new ATOM 0 HA ALA B 43 0.961 -7.506 -12.434 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -0.837 -5.876 -11.832 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -1.478 -7.247 -12.768 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.721 -7.182 -11.006 1.00 0.00 H new ATOM 1660 N CYS B 44 0.342 -7.366 -9.206 1.00 0.00 N ATOM 1661 CA CYS B 44 0.916 -6.883 -7.954 1.00 0.00 C ATOM 1662 C CYS B 44 2.412 -7.159 -7.848 1.00 0.00 C ATOM 1663 O CYS B 44 3.161 -6.370 -7.271 1.00 0.00 O ATOM 1664 CB CYS B 44 0.166 -7.460 -6.761 1.00 0.00 C ATOM 1665 SG CYS B 44 -0.958 -8.840 -7.160 1.00 0.00 S ATOM 0 H CYS B 44 -0.566 -7.820 -9.109 1.00 0.00 H new ATOM 0 HA CYS B 44 0.800 -5.799 -7.948 1.00 0.00 H new ATOM 0 HB2 CYS B 44 0.892 -7.803 -6.024 1.00 0.00 H new ATOM 0 HB3 CYS B 44 -0.412 -6.663 -6.293 1.00 0.00 H new ATOM 1670 N ILE B 45 2.845 -8.273 -8.407 1.00 0.00 N ATOM 1671 CA ILE B 45 4.253 -8.633 -8.374 1.00 0.00 C ATOM 1672 C ILE B 45 5.019 -7.946 -9.504 1.00 0.00 C ATOM 1673 O ILE B 45 6.076 -7.296 -9.293 1.00 0.00 O ATOM 1674 CB ILE B 45 4.449 -10.159 -8.439 1.00 0.00 C ATOM 1675 CG1 ILE B 45 3.152 -10.879 -8.060 1.00 0.00 C ATOM 1676 CG2 ILE B 45 5.576 -10.582 -7.507 1.00 0.00 C ATOM 1677 CD1 ILE B 45 2.511 -11.620 -9.213 1.00 0.00 C ATOM 0 H ILE B 45 2.246 -8.944 -8.888 1.00 0.00 H new ATOM 0 HA ILE B 45 4.655 -8.285 -7.422 1.00 0.00 H new ATOM 0 HB ILE B 45 4.714 -10.434 -9.460 1.00 0.00 H new ATOM 0 HG12 ILE B 45 3.360 -11.585 -7.256 1.00 0.00 H new ATOM 0 HG13 ILE B 45 2.443 -10.150 -7.668 1.00 0.00 H new ATOM 0 HG21 ILE B 45 5.706 -11.663 -7.561 1.00 0.00 H new ATOM 0 HG22 ILE B 45 6.501 -10.090 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE B 45 5.329 -10.297 -6.484 1.00 0.00 H new ATOM 0 HD11 ILE B 45 1.597 -12.106 -8.870 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.271 -10.916 -10.010 1.00 0.00 H new ATOM 0 HD13 ILE B 45 3.202 -12.373 -9.591 1.00 0.00 H new ATOM 1689 N ALA B 46 4.461 -8.042 -10.707 1.00 0.00 N ATOM 1690 CA ALA B 46 5.096 -7.410 -11.858 1.00 0.00 C ATOM 1691 C ALA B 46 5.217 -5.938 -11.529 1.00 0.00 C ATOM 1692 O ALA B 46 6.032 -5.183 -12.074 1.00 0.00 O ATOM 1693 CB ALA B 46 4.279 -7.631 -13.122 1.00 0.00 C ATOM 0 H ALA B 46 3.593 -8.538 -10.908 1.00 0.00 H new ATOM 0 HA ALA B 46 6.077 -7.843 -12.051 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.775 -7.149 -13.965 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.190 -8.700 -13.316 1.00 0.00 H new ATOM 0 HB3 ALA B 46 3.285 -7.202 -12.993 1.00 0.00 H new ATOM 1699 N ALA B 47 4.386 -5.575 -10.576 1.00 0.00 N ATOM 1700 CA ALA B 47 4.300 -4.243 -10.060 1.00 0.00 C ATOM 1701 C ALA B 47 5.519 -3.914 -9.236 1.00 0.00 C ATOM 1702 O ALA B 47 6.118 -2.854 -9.402 1.00 0.00 O ATOM 1703 CB ALA B 47 3.073 -4.138 -9.190 1.00 0.00 C ATOM 0 H ALA B 47 3.736 -6.224 -10.132 1.00 0.00 H new ATOM 0 HA ALA B 47 4.240 -3.542 -10.892 1.00 0.00 H new ATOM 0 HB1 ALA B 47 2.996 -3.127 -8.790 1.00 0.00 H new ATOM 0 HB2 ALA B 47 2.186 -4.362 -9.783 1.00 0.00 H new ATOM 0 HB3 ALA B 47 3.149 -4.849 -8.367 1.00 0.00 H new ATOM 1709 N VAL B 48 5.902 -4.855 -8.373 1.00 0.00 N ATOM 1710 CA VAL B 48 7.033 -4.650 -7.482 1.00 0.00 C ATOM 1711 C VAL B 48 8.132 -3.922 -8.191 1.00 0.00 C ATOM 1712 O VAL B 48 8.760 -3.020 -7.639 1.00 0.00 O ATOM 1713 CB VAL B 48 7.609 -5.980 -6.966 1.00 0.00 C ATOM 1714 CG1 VAL B 48 8.723 -5.730 -5.960 1.00 0.00 C ATOM 1715 CG2 VAL B 48 6.522 -6.844 -6.364 1.00 0.00 C ATOM 0 H VAL B 48 5.445 -5.762 -8.276 1.00 0.00 H new ATOM 0 HA VAL B 48 6.662 -4.067 -6.639 1.00 0.00 H new ATOM 0 HB VAL B 48 8.032 -6.517 -7.815 1.00 0.00 H new ATOM 0 HG11 VAL B 48 9.116 -6.684 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL B 48 9.522 -5.162 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL B 48 8.330 -5.165 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL B 48 6.956 -7.778 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL B 48 6.058 -6.317 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL B 48 5.768 -7.060 -7.121 1.00 0.00 H new ATOM 1725 N GLY B 49 8.359 -4.317 -9.415 1.00 0.00 N ATOM 1726 CA GLY B 49 9.415 -3.673 -10.182 1.00 0.00 C ATOM 1727 C GLY B 49 9.003 -2.439 -10.964 1.00 0.00 C ATOM 1728 O GLY B 49 9.846 -1.592 -11.250 1.00 0.00 O ATOM 0 H GLY B 49 7.850 -5.057 -9.899 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.218 -3.396 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.828 -4.402 -10.880 1.00 0.00 H new ATOM 1732 N GLU B 50 7.729 -2.293 -11.284 1.00 0.00 N ATOM 1733 CA GLU B 50 7.315 -1.177 -12.132 1.00 0.00 C ATOM 1734 C GLU B 50 6.874 0.132 -11.448 1.00 0.00 C ATOM 1735 O GLU B 50 6.050 0.835 -12.019 1.00 0.00 O ATOM 1736 CB GLU B 50 6.301 -1.608 -13.171 1.00 0.00 C ATOM 1737 CG GLU B 50 6.630 -1.033 -14.531 1.00 0.00 C ATOM 1738 CD GLU B 50 5.446 -1.039 -15.481 1.00 0.00 C ATOM 1739 OE1 GLU B 50 4.992 -2.140 -15.856 1.00 0.00 O ATOM 1740 OE2 GLU B 50 4.975 0.057 -15.849 1.00 0.00 O ATOM 0 H GLU B 50 6.977 -2.912 -10.982 1.00 0.00 H new ATOM 0 HA GLU B 50 8.257 -0.898 -12.605 1.00 0.00 H new ATOM 0 HB2 GLU B 50 6.277 -2.696 -13.230 1.00 0.00 H new ATOM 0 HB3 GLU B 50 5.306 -1.283 -12.868 1.00 0.00 H new ATOM 0 HG2 GLU B 50 6.986 -0.010 -14.410 1.00 0.00 H new ATOM 0 HG3 GLU B 50 7.446 -1.605 -14.973 1.00 0.00 H new ATOM 1747 N LEU B 51 7.282 0.394 -10.198 1.00 0.00 N ATOM 1748 CA LEU B 51 6.994 1.699 -9.538 1.00 0.00 C ATOM 1749 C LEU B 51 5.944 1.608 -8.472 1.00 0.00 C ATOM 1750 O LEU B 51 4.731 1.505 -8.754 1.00 0.00 O ATOM 1751 CB LEU B 51 6.638 2.806 -10.525 1.00 0.00 C ATOM 1752 CG LEU B 51 6.800 4.227 -9.988 1.00 0.00 C ATOM 1753 CD1 LEU B 51 8.268 4.582 -9.791 1.00 0.00 C ATOM 1754 CD2 LEU B 51 6.113 5.234 -10.900 1.00 0.00 C ATOM 0 H LEU B 51 7.806 -0.263 -9.621 1.00 0.00 H new ATOM 0 HA LEU B 51 7.935 1.966 -9.057 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.262 2.696 -11.412 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.604 2.670 -10.843 1.00 0.00 H new ATOM 0 HG LEU B 51 6.317 4.269 -9.012 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.348 5.599 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.717 3.890 -9.079 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.791 4.511 -10.745 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.243 6.238 -10.496 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.554 5.183 -11.895 1.00 0.00 H new ATOM 0 HD23 LEU B 51 5.050 5.002 -10.962 1.00 0.00 H new ATOM 1766 N GLY B 52 6.458 1.645 -7.234 1.00 0.00 N ATOM 1767 CA GLY B 52 5.649 1.549 -6.046 1.00 0.00 C ATOM 1768 C GLY B 52 4.752 0.382 -6.164 1.00 0.00 C ATOM 1769 O GLY B 52 3.828 0.194 -5.377 1.00 0.00 O ATOM 0 H GLY B 52 7.456 1.743 -7.045 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.284 1.447 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY B 52 5.065 2.460 -5.914 1.00 0.00 H new ATOM 1773 N LEU B 53 5.089 -0.404 -7.174 1.00 0.00 N ATOM 1774 CA LEU B 53 4.390 -1.590 -7.548 1.00 0.00 C ATOM 1775 C LEU B 53 3.404 -1.231 -8.640 1.00 0.00 C ATOM 1776 O LEU B 53 2.207 -1.478 -8.498 1.00 0.00 O ATOM 1777 CB LEU B 53 3.698 -2.283 -6.367 1.00 0.00 C ATOM 1778 CG LEU B 53 4.581 -2.660 -5.157 1.00 0.00 C ATOM 1779 CD1 LEU B 53 4.451 -4.136 -4.835 1.00 0.00 C ATOM 1780 CD2 LEU B 53 6.041 -2.297 -5.394 1.00 0.00 C ATOM 0 H LEU B 53 5.893 -0.211 -7.771 1.00 0.00 H new ATOM 0 HA LEU B 53 5.113 -2.318 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU B 53 2.899 -1.631 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU B 53 3.226 -3.193 -6.738 1.00 0.00 H new ATOM 0 HG LEU B 53 4.227 -2.083 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU B 53 5.082 -4.379 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU B 53 3.413 -4.366 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU B 53 4.765 -4.725 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.632 -2.577 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.411 -2.831 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU B 53 6.127 -1.223 -5.561 1.00 0.00 H new ATOM 1792 N ASP B 54 3.923 -0.636 -9.739 1.00 0.00 N ATOM 1793 CA ASP B 54 3.084 -0.227 -10.862 1.00 0.00 C ATOM 1794 C ASP B 54 1.646 -0.218 -10.448 1.00 0.00 C ATOM 1795 O ASP B 54 1.021 -1.270 -10.412 1.00 0.00 O ATOM 1796 CB ASP B 54 3.220 -1.185 -12.030 1.00 0.00 C ATOM 1797 CG ASP B 54 3.139 -0.480 -13.368 1.00 0.00 C ATOM 1798 OD1 ASP B 54 3.827 0.549 -13.540 1.00 0.00 O ATOM 1799 OD2 ASP B 54 2.388 -0.954 -14.247 1.00 0.00 O ATOM 0 H ASP B 54 4.915 -0.434 -9.861 1.00 0.00 H new ATOM 0 HA ASP B 54 3.410 0.768 -11.165 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.172 -1.710 -11.956 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.435 -1.939 -11.971 1.00 0.00 H new ATOM 1804 N VAL B 55 1.116 0.935 -10.107 1.00 0.00 N ATOM 1805 CA VAL B 55 -0.286 0.970 -9.696 1.00 0.00 C ATOM 1806 C VAL B 55 -1.156 0.106 -10.599 1.00 0.00 C ATOM 1807 O VAL B 55 -1.955 -0.672 -10.080 1.00 0.00 O ATOM 1808 CB VAL B 55 -0.898 2.385 -9.604 1.00 0.00 C ATOM 1809 CG1 VAL B 55 -1.752 2.725 -10.828 1.00 0.00 C ATOM 1810 CG2 VAL B 55 -1.727 2.482 -8.333 1.00 0.00 C ATOM 0 H VAL B 55 1.603 1.831 -10.102 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.276 0.566 -8.684 1.00 0.00 H new ATOM 0 HB VAL B 55 -0.085 3.110 -9.577 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.161 3.729 -10.718 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -1.135 2.680 -11.726 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -2.568 2.008 -10.913 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.164 3.478 -8.259 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.523 1.738 -8.360 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.089 2.300 -7.468 1.00 0.00 H new ATOM 1820 N PRO B 56 -0.998 0.190 -11.955 1.00 0.00 N ATOM 1821 CA PRO B 56 -1.816 -0.599 -12.873 1.00 0.00 C ATOM 1822 C PRO B 56 -1.672 -2.070 -12.569 1.00 0.00 C ATOM 1823 O PRO B 56 -2.479 -2.895 -12.998 1.00 0.00 O ATOM 1824 CB PRO B 56 -1.253 -0.274 -14.261 1.00 0.00 C ATOM 1825 CG PRO B 56 -0.539 1.020 -14.088 1.00 0.00 C ATOM 1826 CD PRO B 56 0.007 0.991 -12.691 1.00 0.00 C ATOM 0 HA PRO B 56 -2.878 -0.368 -12.794 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -0.577 -1.056 -14.607 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -2.049 -0.191 -15.001 1.00 0.00 H new ATOM 0 HG2 PRO B 56 0.261 1.128 -14.820 1.00 0.00 H new ATOM 0 HG3 PRO B 56 -1.215 1.863 -14.228 1.00 0.00 H new ATOM 0 HD2 PRO B 56 0.995 0.532 -12.654 1.00 0.00 H new ATOM 0 HD3 PRO B 56 0.106 1.994 -12.276 1.00 0.00 H new ATOM 1834 N LEU B 57 -0.591 -2.396 -11.881 1.00 0.00 N ATOM 1835 CA LEU B 57 -0.339 -3.755 -11.483 1.00 0.00 C ATOM 1836 C LEU B 57 -0.768 -4.046 -10.039 1.00 0.00 C ATOM 1837 O LEU B 57 -1.728 -4.769 -9.818 1.00 0.00 O ATOM 1838 CB LEU B 57 1.127 -4.109 -11.688 1.00 0.00 C ATOM 1839 CG LEU B 57 1.644 -3.997 -13.127 1.00 0.00 C ATOM 1840 CD1 LEU B 57 3.101 -4.415 -13.202 1.00 0.00 C ATOM 1841 CD2 LEU B 57 0.806 -4.845 -14.074 1.00 0.00 C ATOM 0 H LEU B 57 0.124 -1.729 -11.589 1.00 0.00 H new ATOM 0 HA LEU B 57 -0.954 -4.387 -12.124 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.730 -3.460 -11.053 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.287 -5.130 -11.343 1.00 0.00 H new ATOM 0 HG LEU B 57 1.561 -2.955 -13.435 1.00 0.00 H new ATOM 0 HD11 LEU B 57 3.452 -4.329 -14.231 1.00 0.00 H new ATOM 0 HD12 LEU B 57 3.699 -3.768 -12.560 1.00 0.00 H new ATOM 0 HD13 LEU B 57 3.201 -5.448 -12.870 1.00 0.00 H new ATOM 0 HD21 LEU B 57 1.193 -4.748 -15.088 1.00 0.00 H new ATOM 0 HD22 LEU B 57 0.853 -5.889 -13.766 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.229 -4.505 -14.047 1.00 0.00 H new ATOM 1853 N ASP B 58 -0.049 -3.469 -9.061 1.00 0.00 N ATOM 1854 CA ASP B 58 -0.308 -3.722 -7.631 1.00 0.00 C ATOM 1855 C ASP B 58 -1.583 -3.145 -7.074 1.00 0.00 C ATOM 1856 O ASP B 58 -2.422 -3.890 -6.588 1.00 0.00 O ATOM 1857 CB ASP B 58 0.832 -3.207 -6.792 1.00 0.00 C ATOM 1858 CG ASP B 58 0.591 -3.392 -5.308 1.00 0.00 C ATOM 1859 OD1 ASP B 58 -0.014 -4.416 -4.929 1.00 0.00 O ATOM 1860 OD2 ASP B 58 1.001 -2.509 -4.528 1.00 0.00 O ATOM 0 H ASP B 58 0.720 -2.821 -9.235 1.00 0.00 H new ATOM 0 HA ASP B 58 -0.412 -4.806 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.749 -3.724 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP B 58 0.984 -2.148 -7.003 1.00 0.00 H new ATOM 1865 N LEU B 59 -1.729 -1.836 -7.093 1.00 0.00 N ATOM 1866 CA LEU B 59 -2.919 -1.246 -6.526 1.00 0.00 C ATOM 1867 C LEU B 59 -4.072 -1.535 -7.414 1.00 0.00 C ATOM 1868 O LEU B 59 -5.205 -1.273 -7.076 1.00 0.00 O ATOM 1869 CB LEU B 59 -2.768 0.223 -6.219 1.00 0.00 C ATOM 1870 CG LEU B 59 -2.546 0.511 -4.737 1.00 0.00 C ATOM 1871 CD1 LEU B 59 -3.845 0.465 -3.965 1.00 0.00 C ATOM 1872 CD2 LEU B 59 -1.538 -0.463 -4.125 1.00 0.00 C ATOM 0 H LEU B 59 -1.056 -1.177 -7.485 1.00 0.00 H new ATOM 0 HA LEU B 59 -3.101 -1.704 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.929 0.622 -6.789 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -3.661 0.751 -6.555 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.139 1.520 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -3.651 0.674 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -4.531 1.212 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -4.291 -0.525 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.403 -0.230 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -1.909 -1.483 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -0.583 -0.371 -4.642 1.00 0.00 H new ATOM 1884 N ALA B 60 -3.735 -1.980 -8.601 1.00 0.00 N ATOM 1885 CA ALA B 60 -4.719 -2.389 -9.562 1.00 0.00 C ATOM 1886 C ALA B 60 -5.024 -3.848 -9.288 1.00 0.00 C ATOM 1887 O ALA B 60 -6.109 -4.331 -9.568 1.00 0.00 O ATOM 1888 CB ALA B 60 -4.208 -2.178 -10.960 1.00 0.00 C ATOM 0 H ALA B 60 -2.771 -2.067 -8.923 1.00 0.00 H new ATOM 0 HA ALA B 60 -5.629 -1.796 -9.474 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -4.967 -2.493 -11.676 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.984 -1.122 -11.110 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -3.302 -2.766 -11.109 1.00 0.00 H new ATOM 1894 N CYS B 61 -4.016 -4.543 -8.747 1.00 0.00 N ATOM 1895 CA CYS B 61 -4.160 -5.932 -8.329 1.00 0.00 C ATOM 1896 C CYS B 61 -5.000 -5.887 -7.066 1.00 0.00 C ATOM 1897 O CYS B 61 -5.859 -6.731 -6.791 1.00 0.00 O ATOM 1898 CB CYS B 61 -2.785 -6.554 -8.027 1.00 0.00 C ATOM 1899 SG CYS B 61 -2.825 -8.033 -6.962 1.00 0.00 S ATOM 0 H CYS B 61 -3.085 -4.156 -8.590 1.00 0.00 H new ATOM 0 HA CYS B 61 -4.621 -6.539 -9.108 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -2.307 -6.817 -8.971 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -2.158 -5.799 -7.552 1.00 0.00 H new ATOM 1904 N ALA B 62 -4.752 -4.816 -6.333 1.00 0.00 N ATOM 1905 CA ALA B 62 -5.428 -4.539 -5.094 1.00 0.00 C ATOM 1906 C ALA B 62 -6.791 -3.918 -5.368 1.00 0.00 C ATOM 1907 O ALA B 62 -7.790 -4.304 -4.759 1.00 0.00 O ATOM 1908 CB ALA B 62 -4.559 -3.629 -4.246 1.00 0.00 C ATOM 0 H ALA B 62 -4.064 -4.109 -6.592 1.00 0.00 H new ATOM 0 HA ALA B 62 -5.596 -5.466 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -5.066 -3.415 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.608 -4.121 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -4.378 -2.697 -4.781 1.00 0.00 H new ATOM 1914 N ALA B 63 -6.819 -2.958 -6.296 1.00 0.00 N ATOM 1915 CA ALA B 63 -8.060 -2.304 -6.689 1.00 0.00 C ATOM 1916 C ALA B 63 -8.945 -3.330 -7.336 1.00 0.00 C ATOM 1917 O ALA B 63 -10.160 -3.325 -7.166 1.00 0.00 O ATOM 1918 CB ALA B 63 -7.816 -1.161 -7.656 1.00 0.00 C ATOM 0 H ALA B 63 -5.992 -2.619 -6.787 1.00 0.00 H new ATOM 0 HA ALA B 63 -8.531 -1.883 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA B 63 -8.767 -0.701 -7.923 1.00 0.00 H new ATOM 0 HB2 ALA B 63 -7.173 -0.417 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA B 63 -7.332 -1.542 -8.555 1.00 0.00 H new ATOM 1924 N THR B 64 -8.311 -4.233 -8.071 1.00 0.00 N ATOM 1925 CA THR B 64 -9.049 -5.302 -8.718 1.00 0.00 C ATOM 1926 C THR B 64 -9.477 -6.288 -7.653 1.00 0.00 C ATOM 1927 O THR B 64 -9.905 -7.403 -7.953 1.00 0.00 O ATOM 1928 CB THR B 64 -8.265 -6.040 -9.846 1.00 0.00 C ATOM 1929 OG1 THR B 64 -9.186 -6.753 -10.679 1.00 0.00 O ATOM 1930 CG2 THR B 64 -7.228 -7.023 -9.301 1.00 0.00 C ATOM 0 H THR B 64 -7.304 -4.246 -8.231 1.00 0.00 H new ATOM 0 HA THR B 64 -9.904 -4.846 -9.218 1.00 0.00 H new ATOM 0 HB THR B 64 -7.731 -5.278 -10.414 1.00 0.00 H new ATOM 0 HG1 THR B 64 -9.785 -7.290 -10.119 1.00 0.00 H new ATOM 0 HG21 THR B 64 -6.714 -7.507 -10.131 1.00 0.00 H new ATOM 0 HG22 THR B 64 -6.504 -6.486 -8.689 1.00 0.00 H new ATOM 0 HG23 THR B 64 -7.727 -7.778 -8.694 1.00 0.00 H new ATOM 1938 N ALA B 65 -9.359 -5.860 -6.388 1.00 0.00 N ATOM 1939 CA ALA B 65 -9.717 -6.717 -5.284 1.00 0.00 C ATOM 1940 C ALA B 65 -9.888 -5.993 -3.935 1.00 0.00 C ATOM 1941 O ALA B 65 -10.923 -5.396 -3.679 1.00 0.00 O ATOM 1942 CB ALA B 65 -8.680 -7.798 -5.174 1.00 0.00 C ATOM 0 H ALA B 65 -9.021 -4.935 -6.121 1.00 0.00 H new ATOM 0 HA ALA B 65 -10.703 -7.127 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -8.930 -8.459 -4.344 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -8.653 -8.372 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -7.703 -7.348 -4.997 1.00 0.00 H new ATOM 1948 N THR B 66 -8.870 -6.067 -3.068 1.00 0.00 N ATOM 1949 CA THR B 66 -8.962 -5.505 -1.710 1.00 0.00 C ATOM 1950 C THR B 66 -8.699 -4.011 -1.612 1.00 0.00 C ATOM 1951 O THR B 66 -9.456 -3.327 -0.929 1.00 0.00 O ATOM 1952 CB THR B 66 -8.040 -6.246 -0.726 1.00 0.00 C ATOM 1953 OG1 THR B 66 -7.633 -7.497 -1.282 1.00 0.00 O ATOM 1954 CG2 THR B 66 -8.745 -6.500 0.594 1.00 0.00 C ATOM 0 H THR B 66 -7.975 -6.508 -3.280 1.00 0.00 H new ATOM 0 HA THR B 66 -10.007 -5.655 -1.437 1.00 0.00 H new ATOM 0 HB THR B 66 -7.168 -5.617 -0.548 1.00 0.00 H new ATOM 0 HG1 THR B 66 -8.383 -8.127 -1.254 1.00 0.00 H new ATOM 0 HG21 THR B 66 -8.071 -7.025 1.271 1.00 0.00 H new ATOM 0 HG22 THR B 66 -9.038 -5.549 1.039 1.00 0.00 H new ATOM 0 HG23 THR B 66 -9.633 -7.109 0.421 1.00 0.00 H new ATOM 1962 N SER B 67 -7.646 -3.474 -2.243 1.00 0.00 N ATOM 1963 CA SER B 67 -7.451 -2.017 -2.151 1.00 0.00 C ATOM 1964 C SER B 67 -8.796 -1.425 -2.442 1.00 0.00 C ATOM 1965 O SER B 67 -9.171 -0.353 -1.966 1.00 0.00 O ATOM 1966 CB SER B 67 -6.411 -1.467 -3.107 1.00 0.00 C ATOM 1967 OG SER B 67 -6.440 -0.055 -3.099 1.00 0.00 O ATOM 0 H SER B 67 -6.954 -3.986 -2.791 1.00 0.00 H new ATOM 0 HA SER B 67 -7.068 -1.760 -1.163 1.00 0.00 H new ATOM 0 HB2 SER B 67 -5.420 -1.819 -2.820 1.00 0.00 H new ATOM 0 HB3 SER B 67 -6.601 -1.836 -4.115 1.00 0.00 H new ATOM 0 HG SER B 67 -6.345 0.279 -4.015 1.00 0.00 H new ATOM 1973 N SER B 68 -9.492 -2.182 -3.277 1.00 0.00 N ATOM 1974 CA SER B 68 -10.851 -1.959 -3.611 1.00 0.00 C ATOM 1975 C SER B 68 -11.107 -0.906 -4.657 1.00 0.00 C ATOM 1976 O SER B 68 -10.970 0.288 -4.427 1.00 0.00 O ATOM 1977 CB SER B 68 -11.652 -1.695 -2.353 1.00 0.00 C ATOM 1978 OG SER B 68 -13.029 -1.581 -2.643 1.00 0.00 O ATOM 0 H SER B 68 -9.091 -2.994 -3.747 1.00 0.00 H new ATOM 0 HA SER B 68 -11.185 -2.880 -4.089 1.00 0.00 H new ATOM 0 HB2 SER B 68 -11.493 -2.504 -1.640 1.00 0.00 H new ATOM 0 HB3 SER B 68 -11.300 -0.779 -1.879 1.00 0.00 H new ATOM 0 HG SER B 68 -13.275 -0.634 -2.697 1.00 0.00 H new ATOM 1984 N ALA B 69 -11.483 -1.413 -5.814 1.00 0.00 N ATOM 1985 CA ALA B 69 -11.863 -0.601 -6.961 1.00 0.00 C ATOM 1986 C ALA B 69 -11.904 -1.466 -8.206 1.00 0.00 C ATOM 1987 O ALA B 69 -11.413 -1.084 -9.269 1.00 0.00 O ATOM 1988 CB ALA B 69 -10.923 0.574 -7.156 1.00 0.00 C ATOM 0 H ALA B 69 -11.535 -2.416 -5.990 1.00 0.00 H new ATOM 0 HA ALA B 69 -12.855 -0.190 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.241 1.155 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -10.942 1.206 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -9.910 0.206 -7.318 1.00 0.00 H new ATOM 1994 N THR B 70 -12.500 -2.639 -8.055 1.00 0.00 N ATOM 1995 CA THR B 70 -12.606 -3.591 -9.144 1.00 0.00 C ATOM 1996 C THR B 70 -13.932 -3.447 -9.868 1.00 0.00 C ATOM 1997 O THR B 70 -14.971 -3.911 -9.399 1.00 0.00 O ATOM 1998 CB THR B 70 -12.446 -5.042 -8.647 1.00 0.00 C ATOM 1999 OG1 THR B 70 -13.377 -5.899 -9.315 1.00 0.00 O ATOM 2000 CG2 THR B 70 -12.651 -5.130 -7.145 1.00 0.00 C ATOM 0 H THR B 70 -12.920 -2.954 -7.180 1.00 0.00 H new ATOM 0 HA THR B 70 -11.795 -3.370 -9.838 1.00 0.00 H new ATOM 0 HB THR B 70 -11.431 -5.366 -8.875 1.00 0.00 H new ATOM 0 HG1 THR B 70 -13.553 -6.687 -8.760 1.00 0.00 H new ATOM 0 HG21 THR B 70 -12.533 -6.164 -6.822 1.00 0.00 H new ATOM 0 HG22 THR B 70 -11.914 -4.505 -6.640 1.00 0.00 H new ATOM 0 HG23 THR B 70 -13.654 -4.784 -6.894 1.00 0.00 H new ATOM 2008 N GLU B 71 -13.879 -2.794 -11.016 1.00 0.00 N ATOM 2009 CA GLU B 71 -15.056 -2.575 -11.837 1.00 0.00 C ATOM 2010 C GLU B 71 -15.581 -3.900 -12.377 1.00 0.00 C ATOM 2011 O GLU B 71 -16.615 -3.953 -13.044 1.00 0.00 O ATOM 2012 CB GLU B 71 -14.699 -1.601 -12.964 1.00 0.00 C ATOM 2013 CG GLU B 71 -15.731 -1.511 -14.081 1.00 0.00 C ATOM 2014 CD GLU B 71 -15.338 -0.519 -15.157 1.00 0.00 C ATOM 2015 OE1 GLU B 71 -14.607 -0.912 -16.089 1.00 0.00 O ATOM 2016 OE2 GLU B 71 -15.763 0.653 -15.068 1.00 0.00 O ATOM 0 H GLU B 71 -13.021 -2.402 -11.404 1.00 0.00 H new ATOM 0 HA GLU B 71 -15.854 -2.136 -11.238 1.00 0.00 H new ATOM 0 HB2 GLU B 71 -14.559 -0.608 -12.537 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -13.743 -1.900 -13.395 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -15.862 -2.496 -14.530 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -16.694 -1.222 -13.659 1.00 0.00 H new ATOM 2023 N ALA B 72 -14.873 -4.976 -12.058 1.00 0.00 N ATOM 2024 CA ALA B 72 -15.261 -6.295 -12.520 1.00 0.00 C ATOM 2025 C ALA B 72 -16.095 -7.054 -11.486 1.00 0.00 C ATOM 2026 O ALA B 72 -16.934 -7.877 -11.852 1.00 0.00 O ATOM 2027 CB ALA B 72 -14.030 -7.101 -12.905 1.00 0.00 C ATOM 0 H ALA B 72 -14.031 -4.958 -11.483 1.00 0.00 H new ATOM 0 HA ALA B 72 -15.891 -6.157 -13.399 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -14.335 -8.089 -13.250 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -13.494 -6.588 -13.703 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -13.377 -7.205 -12.038 1.00 0.00 H new ATOM 2033 N CYS B 73 -15.873 -6.784 -10.198 1.00 0.00 N ATOM 2034 CA CYS B 73 -16.625 -7.470 -9.145 1.00 0.00 C ATOM 2035 C CYS B 73 -17.427 -6.492 -8.325 1.00 0.00 C ATOM 2036 O CYS B 73 -18.079 -6.881 -7.359 1.00 0.00 O ATOM 2037 CB CYS B 73 -15.696 -8.201 -8.176 1.00 0.00 C ATOM 2038 SG CYS B 73 -14.290 -9.052 -8.953 1.00 0.00 S ATOM 0 H CYS B 73 -15.189 -6.106 -9.862 1.00 0.00 H new ATOM 0 HA CYS B 73 -17.278 -8.179 -9.654 1.00 0.00 H new ATOM 0 HB2 CYS B 73 -15.311 -7.482 -7.453 1.00 0.00 H new ATOM 0 HB3 CYS B 73 -16.281 -8.932 -7.618 1.00 0.00 H new ATOM 2043 N LYS B 74 -17.397 -5.230 -8.705 1.00 0.00 N ATOM 2044 CA LYS B 74 -18.076 -4.232 -7.915 1.00 0.00 C ATOM 2045 C LYS B 74 -19.584 -4.350 -7.912 1.00 0.00 C ATOM 2046 O LYS B 74 -20.145 -5.443 -7.847 1.00 0.00 O ATOM 2047 CB LYS B 74 -17.664 -2.823 -8.286 1.00 0.00 C ATOM 2048 CG LYS B 74 -17.730 -1.894 -7.086 1.00 0.00 C ATOM 2049 CD LYS B 74 -18.579 -0.689 -7.352 1.00 0.00 C ATOM 2050 CE LYS B 74 -19.845 -0.615 -6.564 1.00 0.00 C ATOM 2051 NZ LYS B 74 -20.034 0.719 -5.934 1.00 0.00 N ATOM 0 H LYS B 74 -16.921 -4.880 -9.536 1.00 0.00 H new ATOM 0 HA LYS B 74 -17.748 -4.439 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.650 -2.832 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -18.315 -2.447 -9.075 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.130 -2.437 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -16.722 -1.575 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -17.989 0.204 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -18.829 -0.668 -8.413 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -20.691 -0.830 -7.217 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -19.836 -1.383 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.684 0.633 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.116 1.080 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -20.434 1.379 -6.631 1.00 0.00 H new ATOM 2065 N GLY B 75 -20.231 -3.199 -7.986 1.00 0.00 N ATOM 2066 CA GLY B 75 -21.653 -3.149 -7.873 1.00 0.00 C ATOM 2067 C GLY B 75 -21.954 -3.207 -6.403 1.00 0.00 C ATOM 2068 O GLY B 75 -23.090 -3.428 -5.981 1.00 0.00 O ATOM 0 H GLY B 75 -19.781 -2.294 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -22.048 -2.235 -8.316 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -22.116 -3.984 -8.399 1.00 0.00 H new ATOM 2072 N CYS B 76 -20.883 -2.993 -5.619 1.00 0.00 N ATOM 2073 CA CYS B 76 -20.958 -3.053 -4.183 1.00 0.00 C ATOM 2074 C CYS B 76 -19.825 -2.302 -3.446 1.00 0.00 C ATOM 2075 O CYS B 76 -20.100 -1.429 -2.628 1.00 0.00 O ATOM 2076 CB CYS B 76 -20.874 -4.520 -3.768 1.00 0.00 C ATOM 2077 SG CYS B 76 -22.457 -5.418 -3.753 1.00 0.00 S ATOM 0 H CYS B 76 -19.954 -2.776 -5.979 1.00 0.00 H new ATOM 0 HA CYS B 76 -21.895 -2.570 -3.905 1.00 0.00 H new ATOM 0 HB2 CYS B 76 -20.191 -5.033 -4.445 1.00 0.00 H new ATOM 0 HB3 CYS B 76 -20.436 -4.574 -2.772 1.00 0.00 H new ATOM 2082 N LEU B 77 -18.558 -2.581 -3.784 1.00 0.00 N ATOM 2083 CA LEU B 77 -17.430 -2.067 -2.967 1.00 0.00 C ATOM 2084 C LEU B 77 -16.390 -1.124 -3.629 1.00 0.00 C ATOM 2085 O LEU B 77 -15.356 -0.885 -3.016 1.00 0.00 O ATOM 2086 CB LEU B 77 -16.694 -3.309 -2.445 1.00 0.00 C ATOM 2087 CG LEU B 77 -15.575 -3.094 -1.414 1.00 0.00 C ATOM 2088 CD1 LEU B 77 -16.134 -2.612 -0.095 1.00 0.00 C ATOM 2089 CD2 LEU B 77 -14.786 -4.376 -1.211 1.00 0.00 C ATOM 0 H LEU B 77 -18.285 -3.142 -4.591 1.00 0.00 H new ATOM 0 HA LEU B 77 -17.889 -1.422 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -17.434 -3.976 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -16.266 -3.830 -3.301 1.00 0.00 H new ATOM 0 HG LEU B 77 -14.906 -2.325 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -15.319 -2.469 0.615 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -16.656 -1.667 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -16.831 -3.353 0.297 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -13.998 -4.206 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -15.452 -5.160 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -14.341 -4.683 -2.157 1.00 0.00 H new ATOM 2101 N TRP B 78 -16.610 -0.573 -4.821 1.00 0.00 N ATOM 2102 CA TRP B 78 -15.589 0.313 -5.418 1.00 0.00 C ATOM 2103 C TRP B 78 -14.893 1.158 -4.357 1.00 0.00 C ATOM 2104 O TRP B 78 -13.649 1.089 -4.276 1.00 0.00 O ATOM 2105 CB TRP B 78 -16.159 1.242 -6.505 1.00 0.00 C ATOM 2106 CG TRP B 78 -16.012 0.708 -7.901 1.00 0.00 C ATOM 2107 CD1 TRP B 78 -15.096 -0.182 -8.343 1.00 0.00 C ATOM 2108 CD2 TRP B 78 -16.863 0.988 -9.012 1.00 0.00 C ATOM 2109 NE1 TRP B 78 -15.300 -0.459 -9.670 1.00 0.00 N ATOM 2110 CE2 TRP B 78 -16.384 0.255 -10.102 1.00 0.00 C ATOM 2111 CE3 TRP B 78 -17.984 1.794 -9.179 1.00 0.00 C ATOM 2112 CZ2 TRP B 78 -16.988 0.304 -11.345 1.00 0.00 C ATOM 2113 CZ3 TRP B 78 -18.589 1.846 -10.418 1.00 0.00 C ATOM 2114 CH2 TRP B 78 -18.086 1.106 -11.491 1.00 0.00 C ATOM 2115 OXT TRP B 78 -15.592 1.867 -3.611 1.00 0.00 O ATOM 0 H TRP B 78 -17.450 -0.711 -5.382 1.00 0.00 H new ATOM 0 HA TRP B 78 -14.867 -0.354 -5.888 1.00 0.00 H new ATOM 0 HB2 TRP B 78 -17.216 1.416 -6.303 1.00 0.00 H new ATOM 0 HB3 TRP B 78 -15.659 2.208 -6.442 1.00 0.00 H new ATOM 0 HD1 TRP B 78 -14.314 -0.614 -7.736 1.00 0.00 H new ATOM 0 HE1 TRP B 78 -14.738 -1.091 -10.240 1.00 0.00 H new ATOM 0 HE3 TRP B 78 -18.374 2.370 -8.353 1.00 0.00 H new ATOM 0 HZ2 TRP B 78 -16.605 -0.273 -12.174 1.00 0.00 H new ATOM 0 HZ3 TRP B 78 -19.462 2.466 -10.560 1.00 0.00 H new ATOM 0 HH2 TRP B 78 -18.573 1.168 -12.453 1.00 0.00 H new TER 2126 TRP B 78