USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 LYS NZ :NH3+ -143:sc= 0.0217 (180deg=-0.649) USER MOD Set 1.2: A 100 THR OG1 : rot 168:sc= 0.173 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -139:sc= 1.28 (180deg=0) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -164:sc= -0.912 (180deg=-0.438) USER MOD Set 3.2: A 12 GLN : amide:sc= -0.819 X(o=-1.7,f=-1.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.127 (180deg=-0.11) USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= 0.224 (180deg=-0.379) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00566 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 61:sc= 0.495 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -0.918 (180deg=-2.56!) USER MOD Single : A 43 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.06) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 96:sc= -0.624 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.96! C(o=-2!,f=-2.1!) USER MOD Single : A 63 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.7) USER MOD Single : A 67 SER OG : rot 70:sc= 1.06 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 76 THR OG1 : rot -60:sc= -0.499 USER MOD Single : A 78 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : A 81 LYS NZ :NH3+ -133:sc= 0.644 (180deg=-0.325) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 133:sc= 0.92 USER MOD Single : A 93 ASN : amide:sc= -3.96! K(o=-4!,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= -0.531 (180deg=-2.88!) USER MOD Single : A 102 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.66) USER MOD Single : B 1 PHE N :NH3+ -152:sc= 0.591 (180deg=0.182) USER MOD Single : B 5 TYR OH : rot 4:sc= -3.73! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.597 -2.191 8.649 1.00 0.73 N ATOM 2 CA MET A 1 -6.363 -2.026 9.468 1.00 0.31 C ATOM 3 C MET A 1 -5.138 -2.039 8.551 1.00 0.24 C ATOM 4 O MET A 1 -5.227 -2.367 7.384 1.00 0.21 O ATOM 5 CB MET A 1 -6.263 -3.171 10.478 1.00 0.70 C ATOM 6 CG MET A 1 -7.372 -3.027 11.523 1.00 1.55 C ATOM 7 SD MET A 1 -7.098 -4.212 12.864 1.00 2.25 S ATOM 8 CE MET A 1 -8.050 -3.342 14.134 1.00 2.89 C ATOM 0 H1 MET A 1 -8.228 -1.379 8.805 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.341 -2.243 7.642 1.00 0.73 H new ATOM 0 H3 MET A 1 -8.084 -3.067 8.928 1.00 0.73 H new ATOM 0 HA MET A 1 -6.404 -1.077 10.003 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.352 -4.130 9.967 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.287 -3.158 10.963 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.384 -2.011 11.918 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.345 -3.201 11.063 1.00 1.55 H new ATOM 0 HE1 MET A 1 -8.016 -3.907 15.065 1.00 2.89 H new ATOM 0 HE2 MET A 1 -7.623 -2.352 14.295 1.00 2.89 H new ATOM 0 HE3 MET A 1 -9.085 -3.242 13.808 1.00 2.89 H new ATOM 20 N VAL A 2 -3.994 -1.672 9.070 1.00 0.24 N ATOM 21 CA VAL A 2 -2.754 -1.647 8.234 1.00 0.19 C ATOM 22 C VAL A 2 -1.987 -2.963 8.400 1.00 0.22 C ATOM 23 O VAL A 2 -2.322 -3.790 9.225 1.00 0.28 O ATOM 24 CB VAL A 2 -1.873 -0.474 8.683 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.603 -0.404 7.820 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.669 0.829 8.543 1.00 0.30 C ATOM 0 H VAL A 2 -3.864 -1.387 10.041 1.00 0.24 H new ATOM 0 HA VAL A 2 -3.023 -1.526 7.185 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.579 -0.618 9.723 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.014 0.432 8.148 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.041 -1.332 7.924 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.880 -0.262 6.775 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.051 1.669 8.860 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.962 0.966 7.502 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.561 0.779 9.167 1.00 0.30 H new ATOM 36 N LYS A 3 -0.952 -3.159 7.624 1.00 0.18 N ATOM 37 CA LYS A 3 -0.150 -4.415 7.730 1.00 0.22 C ATOM 38 C LYS A 3 1.270 -4.136 7.240 1.00 0.16 C ATOM 39 O LYS A 3 1.473 -3.668 6.138 1.00 0.13 O ATOM 40 CB LYS A 3 -0.778 -5.507 6.856 1.00 0.26 C ATOM 41 CG LYS A 3 0.117 -6.755 6.816 1.00 0.34 C ATOM 42 CD LYS A 3 0.466 -7.214 8.239 1.00 0.81 C ATOM 43 CE LYS A 3 0.932 -8.673 8.214 1.00 1.37 C ATOM 44 NZ LYS A 3 2.162 -8.785 7.383 1.00 1.97 N ATOM 0 H LYS A 3 -0.626 -2.499 6.918 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.132 -4.750 8.767 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.761 -5.771 7.246 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.928 -5.129 5.845 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.393 -7.558 6.284 1.00 0.34 H new ATOM 0 HG3 LYS A 3 1.031 -6.536 6.264 1.00 0.34 H new ATOM 0 HD2 LYS A 3 1.249 -6.580 8.654 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.404 -7.112 8.888 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.132 -9.020 9.228 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.146 -9.310 7.808 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 2.710 -9.616 7.684 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.897 -8.889 6.383 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 2.740 -7.928 7.501 1.00 1.97 H new ATOM 58 N GLN A 4 2.253 -4.416 8.048 1.00 0.18 N ATOM 59 CA GLN A 4 3.662 -4.163 7.629 1.00 0.15 C ATOM 60 C GLN A 4 4.244 -5.418 6.969 1.00 0.13 C ATOM 61 O GLN A 4 4.114 -6.517 7.473 1.00 0.14 O ATOM 62 CB GLN A 4 4.488 -3.801 8.866 1.00 0.20 C ATOM 63 CG GLN A 4 5.988 -3.820 8.526 1.00 0.21 C ATOM 64 CD GLN A 4 6.771 -3.039 9.584 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.509 -3.161 10.764 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.730 -2.237 9.206 1.00 0.98 N ATOM 0 H GLN A 4 2.143 -4.810 8.982 1.00 0.18 H new ATOM 0 HA GLN A 4 3.690 -3.343 6.911 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.202 -2.813 9.227 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.281 -4.507 9.670 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.347 -4.848 8.481 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.152 -3.381 7.542 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.949 -2.135 8.215 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.260 -1.712 9.902 1.00 0.98 H new ATOM 75 N ILE A 5 4.902 -5.246 5.853 1.00 0.10 N ATOM 76 CA ILE A 5 5.531 -6.397 5.136 1.00 0.10 C ATOM 77 C ILE A 5 7.048 -6.254 5.251 1.00 0.10 C ATOM 78 O ILE A 5 7.639 -5.376 4.653 1.00 0.11 O ATOM 79 CB ILE A 5 5.137 -6.364 3.650 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.649 -5.992 3.479 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.413 -7.724 3.003 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.738 -7.087 4.050 1.00 0.19 C ATOM 0 H ILE A 5 5.033 -4.342 5.400 1.00 0.10 H new ATOM 0 HA ILE A 5 5.195 -7.337 5.573 1.00 0.10 H new ATOM 0 HB ILE A 5 5.739 -5.601 3.156 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.447 -5.047 3.983 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.427 -5.844 2.422 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.131 -7.690 1.951 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.474 -7.958 3.087 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.831 -8.493 3.510 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.695 -6.799 3.916 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.925 -8.025 3.528 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.946 -7.216 5.112 1.00 0.19 H new ATOM 94 N GLU A 6 7.682 -7.096 6.018 1.00 0.11 N ATOM 95 CA GLU A 6 9.163 -6.996 6.183 1.00 0.14 C ATOM 96 C GLU A 6 9.855 -8.045 5.307 1.00 0.14 C ATOM 97 O GLU A 6 11.057 -8.019 5.128 1.00 0.17 O ATOM 98 CB GLU A 6 9.517 -7.250 7.650 1.00 0.18 C ATOM 99 CG GLU A 6 8.557 -6.472 8.551 1.00 0.31 C ATOM 100 CD GLU A 6 8.964 -6.659 10.014 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.932 -7.361 10.256 1.00 1.96 O ATOM 102 OE2 GLU A 6 8.300 -6.097 10.870 1.00 1.97 O ATOM 0 H GLU A 6 7.239 -7.852 6.540 1.00 0.11 H new ATOM 0 HA GLU A 6 9.497 -6.002 5.884 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.455 -8.316 7.870 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.544 -6.943 7.845 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.574 -5.414 8.290 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.536 -6.821 8.399 1.00 0.31 H new ATOM 109 N SER A 7 9.110 -8.969 4.760 1.00 0.13 N ATOM 110 CA SER A 7 9.732 -10.017 3.897 1.00 0.15 C ATOM 111 C SER A 7 8.707 -10.524 2.881 1.00 0.14 C ATOM 112 O SER A 7 7.514 -10.463 3.102 1.00 0.12 O ATOM 113 CB SER A 7 10.205 -11.178 4.773 1.00 0.20 C ATOM 114 OG SER A 7 9.178 -11.523 5.693 1.00 0.23 O ATOM 0 H SER A 7 8.099 -9.044 4.873 1.00 0.13 H new ATOM 0 HA SER A 7 10.583 -9.592 3.365 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.456 -12.038 4.152 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.111 -10.897 5.310 1.00 0.20 H new ATOM 0 HG SER A 7 9.478 -12.268 6.254 1.00 0.23 H new ATOM 120 N LYS A 8 9.169 -11.026 1.769 1.00 0.15 N ATOM 121 CA LYS A 8 8.234 -11.542 0.728 1.00 0.14 C ATOM 122 C LYS A 8 7.252 -12.530 1.361 1.00 0.14 C ATOM 123 O LYS A 8 6.157 -12.729 0.875 1.00 0.13 O ATOM 124 CB LYS A 8 9.039 -12.250 -0.368 1.00 0.17 C ATOM 125 CG LYS A 8 8.175 -12.413 -1.621 1.00 0.21 C ATOM 126 CD LYS A 8 9.009 -13.042 -2.739 1.00 0.22 C ATOM 127 CE LYS A 8 8.092 -13.423 -3.903 1.00 1.06 C ATOM 128 NZ LYS A 8 7.241 -14.581 -3.506 1.00 1.90 N ATOM 0 H LYS A 8 10.159 -11.102 1.535 1.00 0.15 H new ATOM 0 HA LYS A 8 7.677 -10.711 0.295 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.934 -11.674 -0.604 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.372 -13.226 -0.015 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.311 -13.040 -1.401 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.792 -11.444 -1.940 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.772 -12.341 -3.077 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.529 -13.925 -2.367 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.465 -12.575 -4.179 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.687 -13.679 -4.780 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.822 -15.011 -4.355 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.824 -15.287 -3.012 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.483 -14.254 -2.874 1.00 1.90 H new ATOM 142 N THR A 9 7.636 -13.155 2.438 1.00 0.16 N ATOM 143 CA THR A 9 6.726 -14.133 3.093 1.00 0.18 C ATOM 144 C THR A 9 5.429 -13.435 3.509 1.00 0.16 C ATOM 145 O THR A 9 4.342 -13.912 3.247 1.00 0.17 O ATOM 146 CB THR A 9 7.414 -14.712 4.327 1.00 0.21 C ATOM 147 OG1 THR A 9 8.742 -15.090 3.992 1.00 0.24 O ATOM 148 CG2 THR A 9 6.640 -15.934 4.826 1.00 0.25 C ATOM 0 H THR A 9 8.541 -13.031 2.893 1.00 0.16 H new ATOM 0 HA THR A 9 6.491 -14.935 2.394 1.00 0.18 H new ATOM 0 HB THR A 9 7.438 -13.959 5.115 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.186 -15.460 4.783 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.135 -16.343 5.707 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.623 -15.640 5.085 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.610 -16.691 4.042 1.00 0.25 H new ATOM 156 N ALA A 10 5.537 -12.311 4.160 1.00 0.16 N ATOM 157 CA ALA A 10 4.317 -11.581 4.603 1.00 0.17 C ATOM 158 C ALA A 10 3.590 -10.993 3.387 1.00 0.15 C ATOM 159 O ALA A 10 2.397 -10.770 3.418 1.00 0.17 O ATOM 160 CB ALA A 10 4.725 -10.457 5.566 1.00 0.20 C ATOM 0 H ALA A 10 6.421 -11.865 4.405 1.00 0.16 H new ATOM 0 HA ALA A 10 3.644 -12.270 5.113 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.836 -9.918 5.894 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.230 -10.885 6.432 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.399 -9.768 5.057 1.00 0.20 H new ATOM 166 N PHE A 11 4.293 -10.735 2.317 1.00 0.12 N ATOM 167 CA PHE A 11 3.626 -10.154 1.114 1.00 0.11 C ATOM 168 C PHE A 11 2.507 -11.080 0.638 1.00 0.13 C ATOM 169 O PHE A 11 1.346 -10.730 0.676 1.00 0.16 O ATOM 170 CB PHE A 11 4.651 -9.974 -0.011 1.00 0.10 C ATOM 171 CG PHE A 11 3.957 -9.448 -1.251 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.454 -8.134 -1.267 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.817 -10.266 -2.390 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.812 -7.638 -2.418 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.175 -9.769 -3.540 1.00 0.18 C ATOM 176 CZ PHE A 11 2.673 -8.455 -3.555 1.00 0.21 C ATOM 0 H PHE A 11 5.295 -10.900 2.223 1.00 0.12 H new ATOM 0 HA PHE A 11 3.203 -9.185 1.379 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.432 -9.281 0.302 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.137 -10.925 -0.230 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.560 -7.505 -0.395 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.202 -11.275 -2.381 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.426 -6.629 -2.428 1.00 0.20 H new ATOM 0 HE2 PHE A 11 3.068 -10.397 -4.412 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.182 -8.074 -4.438 1.00 0.21 H new ATOM 186 N GLN A 12 2.843 -12.255 0.183 1.00 0.15 N ATOM 187 CA GLN A 12 1.793 -13.191 -0.306 1.00 0.19 C ATOM 188 C GLN A 12 0.752 -13.414 0.792 1.00 0.17 C ATOM 189 O GLN A 12 -0.438 -13.375 0.549 1.00 0.16 O ATOM 190 CB GLN A 12 2.436 -14.530 -0.675 1.00 0.24 C ATOM 191 CG GLN A 12 3.384 -14.333 -1.859 1.00 1.21 C ATOM 192 CD GLN A 12 4.030 -15.670 -2.225 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.948 -16.623 -1.476 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.671 -15.784 -3.357 1.00 2.47 N ATOM 0 H GLN A 12 3.799 -12.607 0.129 1.00 0.15 H new ATOM 0 HA GLN A 12 1.308 -12.764 -1.184 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.982 -14.930 0.179 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.665 -15.257 -0.930 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.837 -13.935 -2.714 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.153 -13.603 -1.605 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.740 -14.984 -3.987 1.00 2.47 H new ATOM 0 HE22 GLN A 12 5.102 -16.673 -3.612 1.00 2.47 H new ATOM 203 N GLU A 13 1.188 -13.653 1.997 1.00 0.19 N ATOM 204 CA GLU A 13 0.223 -13.886 3.106 1.00 0.20 C ATOM 205 C GLU A 13 -0.698 -12.670 3.265 1.00 0.18 C ATOM 206 O GLU A 13 -1.861 -12.804 3.592 1.00 0.19 O ATOM 207 CB GLU A 13 1.003 -14.121 4.405 1.00 0.25 C ATOM 208 CG GLU A 13 1.563 -15.548 4.432 1.00 0.30 C ATOM 209 CD GLU A 13 2.205 -15.818 5.794 1.00 1.29 C ATOM 210 OE1 GLU A 13 1.494 -15.769 6.783 1.00 2.03 O ATOM 211 OE2 GLU A 13 3.399 -16.069 5.824 1.00 2.10 O ATOM 0 H GLU A 13 2.172 -13.697 2.262 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.388 -14.760 2.880 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.817 -13.401 4.485 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.351 -13.961 5.264 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.765 -16.267 4.245 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.300 -15.676 3.639 1.00 0.30 H new ATOM 218 N ALA A 14 -0.195 -11.486 3.045 1.00 0.18 N ATOM 219 CA ALA A 14 -1.055 -10.276 3.196 1.00 0.18 C ATOM 220 C ALA A 14 -2.224 -10.344 2.204 1.00 0.18 C ATOM 221 O ALA A 14 -3.361 -10.099 2.551 1.00 0.19 O ATOM 222 CB ALA A 14 -0.222 -9.022 2.924 1.00 0.20 C ATOM 0 H ALA A 14 0.770 -11.304 2.768 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.449 -10.237 4.212 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.849 -8.137 3.034 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.603 -8.972 3.634 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.175 -9.062 1.909 1.00 0.20 H new ATOM 228 N LEU A 15 -1.946 -10.669 0.970 1.00 0.17 N ATOM 229 CA LEU A 15 -3.030 -10.751 -0.054 1.00 0.18 C ATOM 230 C LEU A 15 -4.027 -11.848 0.331 1.00 0.18 C ATOM 231 O LEU A 15 -5.225 -11.654 0.285 1.00 0.18 O ATOM 232 CB LEU A 15 -2.416 -11.070 -1.425 1.00 0.19 C ATOM 233 CG LEU A 15 -1.116 -10.279 -1.612 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.605 -10.467 -3.042 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.375 -8.790 -1.358 1.00 0.62 C ATOM 0 H LEU A 15 -1.010 -10.882 0.625 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.552 -9.795 -0.103 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.216 -12.139 -1.504 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.122 -10.819 -2.217 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.370 -10.643 -0.905 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.319 -9.905 -3.175 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.416 -11.525 -3.225 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.354 -10.106 -3.747 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.449 -8.232 -1.492 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.123 -8.426 -2.062 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.738 -8.652 -0.339 1.00 0.62 H new ATOM 247 N ASP A 16 -3.541 -12.999 0.701 1.00 0.19 N ATOM 248 CA ASP A 16 -4.462 -14.109 1.075 1.00 0.21 C ATOM 249 C ASP A 16 -5.257 -13.733 2.328 1.00 0.20 C ATOM 250 O ASP A 16 -6.422 -14.054 2.453 1.00 0.20 O ATOM 251 CB ASP A 16 -3.649 -15.375 1.351 1.00 0.24 C ATOM 252 CG ASP A 16 -4.595 -16.543 1.638 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.786 -16.381 1.424 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.113 -17.579 2.064 1.00 1.09 O ATOM 0 H ASP A 16 -2.547 -13.220 0.761 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.155 -14.288 0.253 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.018 -15.608 0.493 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.985 -15.215 2.201 1.00 0.24 H new ATOM 259 N ALA A 17 -4.639 -13.066 3.265 1.00 0.22 N ATOM 260 CA ALA A 17 -5.364 -12.683 4.512 1.00 0.24 C ATOM 261 C ALA A 17 -6.206 -11.427 4.266 1.00 0.21 C ATOM 262 O ALA A 17 -7.091 -11.104 5.034 1.00 0.22 O ATOM 263 CB ALA A 17 -4.348 -12.404 5.622 1.00 0.30 C ATOM 0 H ALA A 17 -3.664 -12.770 3.222 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.022 -13.500 4.809 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.874 -12.124 6.535 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.755 -13.300 5.806 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.691 -11.589 5.317 1.00 0.30 H new ATOM 269 N ALA A 18 -5.937 -10.710 3.208 1.00 0.21 N ATOM 270 CA ALA A 18 -6.722 -9.472 2.924 1.00 0.22 C ATOM 271 C ALA A 18 -8.163 -9.840 2.559 1.00 0.21 C ATOM 272 O ALA A 18 -8.994 -8.982 2.338 1.00 0.24 O ATOM 273 CB ALA A 18 -6.071 -8.716 1.762 1.00 0.23 C ATOM 0 H ALA A 18 -5.208 -10.927 2.528 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.733 -8.839 3.811 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.641 -7.811 1.552 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.049 -8.447 2.030 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.058 -9.351 0.876 1.00 0.23 H new ATOM 279 N GLY A 19 -8.470 -11.106 2.494 1.00 0.22 N ATOM 280 CA GLY A 19 -9.859 -11.516 2.141 1.00 0.24 C ATOM 281 C GLY A 19 -10.129 -11.196 0.670 1.00 0.20 C ATOM 282 O GLY A 19 -9.520 -11.759 -0.218 1.00 0.28 O ATOM 0 H GLY A 19 -7.821 -11.873 2.670 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.991 -12.583 2.322 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.576 -10.994 2.775 1.00 0.24 H new ATOM 286 N ASP A 20 -11.038 -10.292 0.405 1.00 0.13 N ATOM 287 CA ASP A 20 -11.356 -9.925 -1.010 1.00 0.18 C ATOM 288 C ASP A 20 -11.528 -8.409 -1.117 1.00 0.15 C ATOM 289 O ASP A 20 -11.864 -7.886 -2.160 1.00 0.22 O ATOM 290 CB ASP A 20 -12.655 -10.616 -1.437 1.00 0.26 C ATOM 291 CG ASP A 20 -12.543 -12.120 -1.178 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.016 -12.812 -2.034 1.00 2.19 O ATOM 293 OD2 ASP A 20 -12.986 -12.555 -0.127 1.00 2.21 O ATOM 0 H ASP A 20 -11.576 -9.790 1.111 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.542 -10.246 -1.660 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.498 -10.203 -0.883 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.847 -10.432 -2.494 1.00 0.26 H new ATOM 298 N LYS A 21 -11.289 -7.697 -0.050 1.00 0.12 N ATOM 299 CA LYS A 21 -11.430 -6.218 -0.102 1.00 0.19 C ATOM 300 C LYS A 21 -10.302 -5.647 -0.960 1.00 0.15 C ATOM 301 O LYS A 21 -9.354 -6.332 -1.289 1.00 0.15 O ATOM 302 CB LYS A 21 -11.326 -5.654 1.315 1.00 0.27 C ATOM 303 CG LYS A 21 -12.633 -5.904 2.069 1.00 0.29 C ATOM 304 CD LYS A 21 -12.416 -5.654 3.566 1.00 0.30 C ATOM 305 CE LYS A 21 -13.765 -5.428 4.248 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.556 -5.221 5.708 1.00 1.90 N ATOM 0 H LYS A 21 -11.003 -8.076 0.853 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.395 -5.948 -0.531 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.496 -6.123 1.843 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.116 -4.585 1.276 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.415 -5.247 1.689 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.969 -6.928 1.905 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.907 -6.506 4.017 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.774 -4.785 3.711 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.263 -4.560 3.815 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.417 -6.286 4.081 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.474 -5.067 6.172 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.099 -6.061 6.116 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.949 -4.390 5.857 1.00 1.90 H new ATOM 320 N LEU A 22 -10.385 -4.399 -1.320 1.00 0.13 N ATOM 321 CA LEU A 22 -9.302 -3.809 -2.144 1.00 0.11 C ATOM 322 C LEU A 22 -8.010 -3.835 -1.311 1.00 0.10 C ATOM 323 O LEU A 22 -8.054 -3.984 -0.106 1.00 0.11 O ATOM 324 CB LEU A 22 -9.682 -2.359 -2.519 1.00 0.12 C ATOM 325 CG LEU A 22 -9.361 -2.047 -3.996 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.662 -0.559 -4.279 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.880 -2.350 -4.298 1.00 0.11 C ATOM 0 H LEU A 22 -11.150 -3.768 -1.081 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.156 -4.373 -3.065 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.745 -2.203 -2.337 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.143 -1.664 -1.875 1.00 0.12 H new ATOM 0 HG LEU A 22 -9.980 -2.674 -4.637 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.437 -0.334 -5.321 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.715 -0.357 -4.084 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.047 0.066 -3.632 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.668 -2.125 -5.343 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.245 -1.736 -3.659 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.678 -3.404 -4.105 1.00 0.11 H new ATOM 339 N VAL A 23 -6.864 -3.697 -1.927 1.00 0.08 N ATOM 340 CA VAL A 23 -5.589 -3.720 -1.146 1.00 0.09 C ATOM 341 C VAL A 23 -4.583 -2.755 -1.776 1.00 0.08 C ATOM 342 O VAL A 23 -4.061 -3.003 -2.843 1.00 0.09 O ATOM 343 CB VAL A 23 -5.005 -5.135 -1.171 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.854 -5.229 -0.169 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.090 -6.151 -0.801 1.00 0.10 C ATOM 0 H VAL A 23 -6.755 -3.570 -2.933 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.791 -3.419 -0.118 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.635 -5.354 -2.173 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.438 -6.236 -0.186 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.079 -4.511 -0.437 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.224 -5.006 0.832 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.669 -7.156 -0.820 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.466 -5.934 0.199 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.908 -6.087 -1.518 1.00 0.10 H new ATOM 355 N VAL A 24 -4.295 -1.661 -1.112 1.00 0.08 N ATOM 356 CA VAL A 24 -3.309 -0.679 -1.653 1.00 0.08 C ATOM 357 C VAL A 24 -1.986 -0.847 -0.905 1.00 0.08 C ATOM 358 O VAL A 24 -1.957 -0.987 0.301 1.00 0.08 O ATOM 359 CB VAL A 24 -3.844 0.740 -1.459 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.035 1.709 -2.324 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.320 0.793 -1.867 1.00 0.09 C ATOM 0 H VAL A 24 -4.705 -1.407 -0.213 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.151 -0.854 -2.717 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.751 1.025 -0.411 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.414 2.722 -2.188 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -1.986 1.671 -2.029 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.127 1.425 -3.372 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.700 1.805 -1.728 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.418 0.509 -2.915 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.893 0.102 -1.249 1.00 0.09 H new ATOM 371 N VAL A 25 -0.891 -0.851 -1.622 1.00 0.09 N ATOM 372 CA VAL A 25 0.451 -1.026 -0.983 1.00 0.09 C ATOM 373 C VAL A 25 1.226 0.285 -1.066 1.00 0.10 C ATOM 374 O VAL A 25 1.270 0.926 -2.096 1.00 0.17 O ATOM 375 CB VAL A 25 1.235 -2.112 -1.726 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.456 -2.519 -0.900 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.341 -3.335 -1.944 1.00 0.09 C ATOM 0 H VAL A 25 -0.869 -0.739 -2.636 1.00 0.09 H new ATOM 0 HA VAL A 25 0.318 -1.315 0.060 1.00 0.09 H new ATOM 0 HB VAL A 25 1.560 -1.723 -2.691 1.00 0.10 H new ATOM 0 HG11 VAL A 25 3.013 -3.292 -1.430 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.097 -1.651 -0.746 1.00 0.12 H new ATOM 0 HG13 VAL A 25 2.130 -2.905 0.066 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.902 -4.106 -2.473 1.00 0.09 H new ATOM 0 HG22 VAL A 25 0.013 -3.722 -0.979 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.529 -3.049 -2.535 1.00 0.09 H new ATOM 387 N ASP A 26 1.841 0.681 0.015 1.00 0.08 N ATOM 388 CA ASP A 26 2.627 1.948 0.024 1.00 0.08 C ATOM 389 C ASP A 26 4.121 1.621 0.000 1.00 0.08 C ATOM 390 O ASP A 26 4.711 1.287 1.009 1.00 0.09 O ATOM 391 CB ASP A 26 2.293 2.740 1.293 1.00 0.09 C ATOM 392 CG ASP A 26 3.207 3.964 1.391 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.724 4.374 0.366 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.374 4.470 2.489 1.00 0.93 O ATOM 0 H ASP A 26 1.832 0.176 0.901 1.00 0.08 H new ATOM 0 HA ASP A 26 2.375 2.543 -0.854 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.249 3.054 1.274 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.420 2.108 2.172 1.00 0.09 H new ATOM 399 N PHE A 27 4.743 1.728 -1.142 1.00 0.08 N ATOM 400 CA PHE A 27 6.200 1.440 -1.227 1.00 0.09 C ATOM 401 C PHE A 27 6.954 2.728 -0.900 1.00 0.11 C ATOM 402 O PHE A 27 7.453 3.401 -1.779 1.00 0.13 O ATOM 403 CB PHE A 27 6.549 1.012 -2.654 1.00 0.10 C ATOM 404 CG PHE A 27 6.177 -0.436 -2.879 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.867 -0.779 -3.263 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.148 -1.438 -2.722 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.531 -2.128 -3.486 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.814 -2.786 -2.948 1.00 0.21 C ATOM 409 CZ PHE A 27 5.505 -3.131 -3.329 1.00 0.23 C ATOM 0 H PHE A 27 4.303 2.003 -2.020 1.00 0.08 H new ATOM 0 HA PHE A 27 6.471 0.645 -0.532 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.022 1.644 -3.369 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.615 1.151 -2.831 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.120 -0.008 -3.386 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.153 -1.174 -2.427 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.525 -2.393 -3.778 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.563 -3.555 -2.829 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.247 -4.166 -3.501 1.00 0.23 H new ATOM 419 N SER A 28 7.022 3.078 0.357 1.00 0.11 N ATOM 420 CA SER A 28 7.734 4.328 0.769 1.00 0.12 C ATOM 421 C SER A 28 8.966 3.964 1.591 1.00 0.10 C ATOM 422 O SER A 28 8.978 2.980 2.304 1.00 0.11 O ATOM 423 CB SER A 28 6.799 5.181 1.623 1.00 0.17 C ATOM 424 OG SER A 28 5.718 5.641 0.823 1.00 1.03 O ATOM 0 H SER A 28 6.611 2.547 1.125 1.00 0.11 H new ATOM 0 HA SER A 28 8.036 4.884 -0.119 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.422 4.598 2.463 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.342 6.028 2.042 1.00 0.17 H new ATOM 0 HG SER A 28 5.217 4.873 0.478 1.00 1.03 H new ATOM 430 N ALA A 29 9.997 4.759 1.514 1.00 0.10 N ATOM 431 CA ALA A 29 11.225 4.474 2.309 1.00 0.15 C ATOM 432 C ALA A 29 11.115 5.202 3.654 1.00 0.18 C ATOM 433 O ALA A 29 10.891 6.395 3.708 1.00 0.26 O ATOM 434 CB ALA A 29 12.456 4.959 1.528 1.00 0.19 C ATOM 0 H ALA A 29 10.042 5.596 0.933 1.00 0.10 H new ATOM 0 HA ALA A 29 11.328 3.404 2.488 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.357 4.753 2.105 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.510 4.437 0.573 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.376 6.032 1.351 1.00 0.19 H new ATOM 440 N THR A 30 11.249 4.485 4.736 1.00 0.18 N ATOM 441 CA THR A 30 11.130 5.122 6.079 1.00 0.23 C ATOM 442 C THR A 30 12.266 6.123 6.302 1.00 0.26 C ATOM 443 O THR A 30 12.155 7.028 7.104 1.00 0.31 O ATOM 444 CB THR A 30 11.188 4.039 7.160 1.00 0.26 C ATOM 445 OG1 THR A 30 10.947 4.627 8.430 1.00 0.32 O ATOM 446 CG2 THR A 30 12.568 3.376 7.158 1.00 0.28 C ATOM 0 H THR A 30 11.436 3.482 4.748 1.00 0.18 H new ATOM 0 HA THR A 30 10.180 5.653 6.133 1.00 0.23 H new ATOM 0 HB THR A 30 10.428 3.285 6.955 1.00 0.26 H new ATOM 0 HG1 THR A 30 10.982 3.935 9.123 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.603 2.606 7.929 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.752 2.922 6.184 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.332 4.126 7.359 1.00 0.28 H new ATOM 454 N TRP A 31 13.363 5.966 5.611 1.00 0.26 N ATOM 455 CA TRP A 31 14.507 6.908 5.802 1.00 0.32 C ATOM 456 C TRP A 31 14.361 8.104 4.862 1.00 0.32 C ATOM 457 O TRP A 31 15.029 9.108 5.011 1.00 0.36 O ATOM 458 CB TRP A 31 15.818 6.179 5.492 1.00 0.34 C ATOM 459 CG TRP A 31 15.901 5.877 4.031 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.506 4.721 3.450 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.399 6.727 2.960 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.746 4.800 2.089 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.292 6.018 1.735 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.936 8.035 2.931 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.701 6.588 0.519 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.347 8.612 1.713 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.230 7.890 0.510 1.00 0.40 C ATOM 0 H TRP A 31 13.518 5.228 4.924 1.00 0.26 H new ATOM 0 HA TRP A 31 14.513 7.261 6.833 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.666 6.794 5.793 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.874 5.255 6.067 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.074 3.875 3.964 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.544 4.050 1.428 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.032 8.596 3.849 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.610 6.031 -0.402 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.754 9.612 1.702 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.547 8.337 -0.421 1.00 0.40 H new ATOM 478 N CYS A 32 13.504 7.997 3.881 1.00 0.28 N ATOM 479 CA CYS A 32 13.326 9.116 2.910 1.00 0.30 C ATOM 480 C CYS A 32 12.142 9.988 3.339 1.00 0.31 C ATOM 481 O CYS A 32 11.015 9.541 3.418 1.00 0.29 O ATOM 482 CB CYS A 32 13.079 8.521 1.517 1.00 0.28 C ATOM 483 SG CYS A 32 13.694 9.664 0.252 1.00 0.32 S ATOM 0 H CYS A 32 12.918 7.180 3.710 1.00 0.28 H new ATOM 0 HA CYS A 32 14.220 9.739 2.885 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.582 7.558 1.427 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.014 8.340 1.371 1.00 0.28 H new ATOM 488 N GLY A 33 12.404 11.232 3.622 1.00 0.34 N ATOM 489 CA GLY A 33 11.321 12.158 4.055 1.00 0.36 C ATOM 490 C GLY A 33 10.200 12.242 3.005 1.00 0.35 C ATOM 491 O GLY A 33 9.059 11.978 3.321 1.00 0.33 O ATOM 0 H GLY A 33 13.332 11.652 3.571 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.907 11.818 5.004 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.736 13.151 4.226 1.00 0.36 H new ATOM 495 N PRO A 34 10.537 12.632 1.794 1.00 0.37 N ATOM 496 CA PRO A 34 9.536 12.788 0.720 1.00 0.38 C ATOM 497 C PRO A 34 8.610 11.569 0.643 1.00 0.35 C ATOM 498 O PRO A 34 7.438 11.689 0.348 1.00 0.36 O ATOM 499 CB PRO A 34 10.371 12.956 -0.569 1.00 0.42 C ATOM 500 CG PRO A 34 11.828 13.257 -0.125 1.00 0.44 C ATOM 501 CD PRO A 34 11.927 12.935 1.383 1.00 0.40 C ATOM 0 HA PRO A 34 8.876 13.639 0.889 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.331 12.051 -1.176 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.978 13.768 -1.181 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.535 12.653 -0.694 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.078 14.301 -0.312 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.587 12.087 1.564 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.331 13.779 1.943 1.00 0.40 H new ATOM 509 N ALA A 35 9.118 10.399 0.903 1.00 0.33 N ATOM 510 CA ALA A 35 8.251 9.191 0.837 1.00 0.32 C ATOM 511 C ALA A 35 7.382 9.126 2.094 1.00 0.39 C ATOM 512 O ALA A 35 6.169 9.161 2.030 1.00 0.81 O ATOM 513 CB ALA A 35 9.134 7.940 0.744 1.00 0.36 C ATOM 0 H ALA A 35 10.091 10.226 1.157 1.00 0.33 H new ATOM 0 HA ALA A 35 7.608 9.242 -0.041 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.503 7.052 0.695 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.751 7.996 -0.153 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.776 7.881 1.623 1.00 0.36 H new ATOM 519 N LYS A 36 8.002 9.035 3.234 1.00 0.30 N ATOM 520 CA LYS A 36 7.235 8.969 4.509 1.00 0.28 C ATOM 521 C LYS A 36 6.360 10.216 4.660 1.00 0.24 C ATOM 522 O LYS A 36 5.448 10.249 5.460 1.00 0.25 O ATOM 523 CB LYS A 36 8.229 8.892 5.675 1.00 0.35 C ATOM 524 CG LYS A 36 7.484 9.006 7.016 1.00 0.38 C ATOM 525 CD LYS A 36 8.418 8.623 8.180 1.00 0.49 C ATOM 526 CE LYS A 36 8.364 7.111 8.427 1.00 1.22 C ATOM 527 NZ LYS A 36 9.477 6.720 9.337 1.00 1.92 N ATOM 0 H LYS A 36 9.016 9.003 3.340 1.00 0.30 H new ATOM 0 HA LYS A 36 6.592 8.089 4.506 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.777 7.951 5.634 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.964 9.693 5.590 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.120 10.024 7.152 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.611 8.354 7.011 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.440 8.925 7.950 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.123 9.157 9.083 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.405 6.837 8.868 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.446 6.574 7.482 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.897 5.827 9.008 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 10.203 7.465 9.337 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.109 6.595 10.302 1.00 1.92 H new ATOM 541 N MET A 37 6.641 11.248 3.914 1.00 0.23 N ATOM 542 CA MET A 37 5.837 12.497 4.042 1.00 0.24 C ATOM 543 C MET A 37 4.357 12.214 3.764 1.00 0.20 C ATOM 544 O MET A 37 3.496 12.984 4.138 1.00 0.20 O ATOM 545 CB MET A 37 6.352 13.544 3.042 1.00 0.29 C ATOM 546 CG MET A 37 5.753 14.926 3.347 1.00 1.31 C ATOM 547 SD MET A 37 4.126 15.069 2.564 1.00 2.12 S ATOM 548 CE MET A 37 3.362 16.146 3.804 1.00 3.13 C ATOM 0 H MET A 37 7.390 11.281 3.223 1.00 0.23 H new ATOM 0 HA MET A 37 5.938 12.875 5.059 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.440 13.595 3.089 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.090 13.245 2.027 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.663 15.065 4.424 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.415 15.710 2.979 1.00 1.31 H new ATOM 0 HE1 MET A 37 2.334 16.364 3.513 1.00 3.13 H new ATOM 0 HE2 MET A 37 3.366 15.646 4.773 1.00 3.13 H new ATOM 0 HE3 MET A 37 3.925 17.077 3.874 1.00 3.13 H new ATOM 558 N ILE A 38 4.051 11.129 3.101 1.00 0.18 N ATOM 559 CA ILE A 38 2.619 10.825 2.784 1.00 0.15 C ATOM 560 C ILE A 38 2.026 9.864 3.816 1.00 0.16 C ATOM 561 O ILE A 38 0.916 9.396 3.659 1.00 0.16 O ATOM 562 CB ILE A 38 2.524 10.180 1.395 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.198 11.105 0.368 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.043 9.957 1.018 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.353 10.384 -0.979 1.00 0.28 C ATOM 0 H ILE A 38 4.726 10.442 2.766 1.00 0.18 H new ATOM 0 HA ILE A 38 2.059 11.760 2.805 1.00 0.15 H new ATOM 0 HB ILE A 38 3.029 9.214 1.402 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.603 12.009 0.238 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.176 11.417 0.736 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.984 9.499 0.031 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.576 9.300 1.752 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.523 10.915 1.005 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.832 11.051 -1.696 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.967 9.493 -0.846 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.370 10.095 -1.352 1.00 0.28 H new ATOM 577 N LYS A 39 2.726 9.546 4.877 1.00 0.19 N ATOM 578 CA LYS A 39 2.119 8.596 5.855 1.00 0.22 C ATOM 579 C LYS A 39 0.874 9.179 6.555 1.00 0.20 C ATOM 580 O LYS A 39 -0.003 8.427 6.910 1.00 0.21 O ATOM 581 CB LYS A 39 3.137 8.074 6.898 1.00 0.31 C ATOM 582 CG LYS A 39 3.360 9.062 8.070 1.00 0.34 C ATOM 583 CD LYS A 39 3.901 8.309 9.296 1.00 0.45 C ATOM 584 CE LYS A 39 2.851 7.317 9.839 1.00 1.16 C ATOM 585 NZ LYS A 39 3.149 5.943 9.336 1.00 1.62 N ATOM 0 H LYS A 39 3.659 9.890 5.103 1.00 0.19 H new ATOM 0 HA LYS A 39 1.795 7.742 5.260 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.787 7.121 7.295 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.090 7.883 6.404 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.062 9.840 7.772 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.423 9.558 8.322 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.810 7.771 9.026 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.172 9.021 10.075 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.858 7.325 10.929 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.853 7.621 9.525 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.291 5.534 8.914 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.899 5.991 8.618 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.464 5.345 10.126 1.00 1.62 H new ATOM 599 N PRO A 40 0.806 10.475 6.788 1.00 0.20 N ATOM 600 CA PRO A 40 -0.360 11.034 7.493 1.00 0.21 C ATOM 601 C PRO A 40 -1.625 10.853 6.643 1.00 0.17 C ATOM 602 O PRO A 40 -2.723 11.114 7.089 1.00 0.20 O ATOM 603 CB PRO A 40 -0.017 12.518 7.720 1.00 0.24 C ATOM 604 CG PRO A 40 1.410 12.758 7.153 1.00 0.25 C ATOM 605 CD PRO A 40 1.820 11.481 6.393 1.00 0.21 C ATOM 0 HA PRO A 40 -0.564 10.535 8.440 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.742 13.160 7.220 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.054 12.762 8.782 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.419 13.621 6.488 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.113 12.969 7.958 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.820 11.643 5.315 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.825 11.161 6.667 1.00 0.21 H new ATOM 613 N PHE A 41 -1.475 10.401 5.423 1.00 0.14 N ATOM 614 CA PHE A 41 -2.662 10.188 4.538 1.00 0.14 C ATOM 615 C PHE A 41 -2.878 8.690 4.350 1.00 0.11 C ATOM 616 O PHE A 41 -3.782 8.109 4.913 1.00 0.13 O ATOM 617 CB PHE A 41 -2.405 10.843 3.179 1.00 0.15 C ATOM 618 CG PHE A 41 -2.604 12.332 3.311 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.590 13.128 3.870 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.810 12.917 2.891 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.781 14.515 4.007 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.005 14.303 3.027 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.989 15.103 3.585 1.00 0.27 C ATOM 0 H PHE A 41 -0.576 10.169 5.000 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.548 10.633 4.991 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.392 10.626 2.841 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.084 10.437 2.430 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.665 12.675 4.194 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.588 12.302 2.463 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.002 15.128 4.435 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.932 14.753 2.704 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.136 16.168 3.689 1.00 0.27 H new ATOM 633 N PHE A 42 -2.052 8.066 3.560 1.00 0.10 N ATOM 634 CA PHE A 42 -2.192 6.602 3.306 1.00 0.11 C ATOM 635 C PHE A 42 -2.525 5.850 4.602 1.00 0.11 C ATOM 636 O PHE A 42 -3.519 5.156 4.688 1.00 0.12 O ATOM 637 CB PHE A 42 -0.873 6.079 2.739 1.00 0.13 C ATOM 638 CG PHE A 42 -0.982 4.601 2.477 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.592 4.151 1.297 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.463 3.675 3.401 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.686 2.776 1.037 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.560 2.297 3.143 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.172 1.845 1.959 1.00 0.10 C ATOM 0 H PHE A 42 -1.275 8.512 3.072 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.005 6.439 2.599 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.630 6.604 1.816 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.062 6.275 3.440 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -1.989 4.863 0.589 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.009 4.023 4.308 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.154 2.431 0.127 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.165 1.585 3.853 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.247 0.786 1.758 1.00 0.10 H new ATOM 653 N HIS A 43 -1.706 5.979 5.609 1.00 0.14 N ATOM 654 CA HIS A 43 -1.983 5.270 6.893 1.00 0.16 C ATOM 655 C HIS A 43 -3.245 5.849 7.555 1.00 0.16 C ATOM 656 O HIS A 43 -3.968 5.149 8.235 1.00 0.18 O ATOM 657 CB HIS A 43 -0.741 5.385 7.810 1.00 0.21 C ATOM 658 CG HIS A 43 -1.124 5.344 9.265 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.124 4.172 10.003 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.566 6.327 10.117 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.560 4.473 11.240 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.845 5.772 11.364 1.00 0.39 N ATOM 0 H HIS A 43 -0.857 6.544 5.600 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.174 4.213 6.707 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.050 4.571 7.592 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.215 6.316 7.597 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.680 7.370 9.860 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.667 3.751 12.036 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.192 6.254 12.193 1.00 0.39 H new ATOM 670 N SER A 44 -3.521 7.110 7.365 1.00 0.20 N ATOM 671 CA SER A 44 -4.741 7.703 7.993 1.00 0.25 C ATOM 672 C SER A 44 -6.012 7.079 7.396 1.00 0.20 C ATOM 673 O SER A 44 -6.952 6.781 8.105 1.00 0.21 O ATOM 674 CB SER A 44 -4.756 9.213 7.760 1.00 0.34 C ATOM 675 OG SER A 44 -6.050 9.722 8.058 1.00 0.97 O ATOM 0 H SER A 44 -2.960 7.754 6.806 1.00 0.20 H new ATOM 0 HA SER A 44 -4.718 7.497 9.063 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.009 9.697 8.389 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.495 9.435 6.725 1.00 0.34 H new ATOM 0 HG SER A 44 -6.062 10.691 7.911 1.00 0.97 H new ATOM 681 N LEU A 45 -6.059 6.893 6.101 1.00 0.18 N ATOM 682 CA LEU A 45 -7.285 6.305 5.473 1.00 0.18 C ATOM 683 C LEU A 45 -7.688 5.025 6.210 1.00 0.16 C ATOM 684 O LEU A 45 -8.800 4.552 6.080 1.00 0.23 O ATOM 685 CB LEU A 45 -7.015 5.966 4.000 1.00 0.19 C ATOM 686 CG LEU A 45 -6.484 7.193 3.243 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.400 6.864 1.749 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.419 8.395 3.451 1.00 0.50 C ATOM 0 H LEU A 45 -5.306 7.121 5.452 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.090 7.037 5.538 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.291 5.153 3.937 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.933 5.613 3.530 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.495 7.447 3.625 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.024 7.731 1.206 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.725 6.021 1.599 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.391 6.605 1.377 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.030 9.257 2.909 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.414 8.151 3.078 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.477 8.631 4.514 1.00 0.50 H new ATOM 700 N SER A 46 -6.801 4.453 6.973 1.00 0.20 N ATOM 701 CA SER A 46 -7.150 3.200 7.704 1.00 0.25 C ATOM 702 C SER A 46 -8.380 3.432 8.586 1.00 0.17 C ATOM 703 O SER A 46 -9.122 2.515 8.880 1.00 0.15 O ATOM 704 CB SER A 46 -5.973 2.775 8.580 1.00 0.36 C ATOM 705 OG SER A 46 -4.878 2.408 7.750 1.00 0.51 O ATOM 0 H SER A 46 -5.852 4.796 7.123 1.00 0.20 H new ATOM 0 HA SER A 46 -7.371 2.416 6.979 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.685 3.591 9.242 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.261 1.936 9.214 1.00 0.36 H new ATOM 0 HG SER A 46 -4.276 3.174 7.645 1.00 0.51 H new ATOM 711 N GLU A 47 -8.596 4.646 9.027 1.00 0.21 N ATOM 712 CA GLU A 47 -9.772 4.933 9.908 1.00 0.21 C ATOM 713 C GLU A 47 -10.945 5.459 9.075 1.00 0.18 C ATOM 714 O GLU A 47 -12.086 5.386 9.486 1.00 0.18 O ATOM 715 CB GLU A 47 -9.375 5.986 10.949 1.00 0.32 C ATOM 716 CG GLU A 47 -7.984 5.664 11.496 1.00 0.39 C ATOM 717 CD GLU A 47 -7.655 6.616 12.648 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.165 6.397 13.734 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.898 7.546 12.423 1.00 2.00 O ATOM 0 H GLU A 47 -8.009 5.452 8.815 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.078 4.013 10.405 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.379 6.978 10.498 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.102 6.002 11.761 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.948 4.631 11.842 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.239 5.761 10.706 1.00 0.39 H new ATOM 726 N LYS A 48 -10.682 5.994 7.911 1.00 0.18 N ATOM 727 CA LYS A 48 -11.798 6.528 7.070 1.00 0.17 C ATOM 728 C LYS A 48 -12.320 5.420 6.150 1.00 0.15 C ATOM 729 O LYS A 48 -13.424 5.489 5.648 1.00 0.18 O ATOM 730 CB LYS A 48 -11.283 7.703 6.227 1.00 0.21 C ATOM 731 CG LYS A 48 -12.467 8.545 5.737 1.00 0.26 C ATOM 732 CD LYS A 48 -11.949 9.750 4.948 1.00 1.09 C ATOM 733 CE LYS A 48 -13.085 10.754 4.740 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.556 11.970 4.061 1.00 2.16 N ATOM 0 H LYS A 48 -9.750 6.085 7.507 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.608 6.872 7.713 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.606 8.319 6.819 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.712 7.330 5.376 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -13.121 7.940 5.109 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.062 8.882 6.586 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.126 10.222 5.485 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.556 9.425 3.985 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.876 10.305 4.140 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.527 11.023 5.699 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.328 12.652 3.920 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.816 12.402 4.650 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.154 11.706 3.139 1.00 2.16 H new ATOM 748 N TYR A 49 -11.530 4.399 5.932 1.00 0.13 N ATOM 749 CA TYR A 49 -11.964 3.271 5.048 1.00 0.13 C ATOM 750 C TYR A 49 -11.676 1.942 5.748 1.00 0.11 C ATOM 751 O TYR A 49 -10.785 1.207 5.369 1.00 0.11 O ATOM 752 CB TYR A 49 -11.197 3.337 3.722 1.00 0.15 C ATOM 753 CG TYR A 49 -11.823 4.380 2.828 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.060 4.116 2.215 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.179 5.612 2.612 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.653 5.079 1.384 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.771 6.580 1.781 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.011 6.313 1.165 1.00 0.21 C ATOM 759 OH TYR A 49 -13.595 7.263 0.351 1.00 0.24 O ATOM 0 H TYR A 49 -10.597 4.297 6.331 1.00 0.13 H new ATOM 0 HA TYR A 49 -13.033 3.350 4.848 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.151 3.582 3.907 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.215 2.364 3.231 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.555 3.171 2.384 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.229 5.815 3.085 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.602 4.873 0.912 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.277 7.526 1.615 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.020 8.056 0.309 1.00 0.24 H new ATOM 769 N SER A 50 -12.432 1.626 6.759 1.00 0.12 N ATOM 770 CA SER A 50 -12.214 0.343 7.480 1.00 0.13 C ATOM 771 C SER A 50 -12.582 -0.823 6.561 1.00 0.13 C ATOM 772 O SER A 50 -12.405 -1.976 6.900 1.00 0.14 O ATOM 773 CB SER A 50 -13.098 0.309 8.723 1.00 0.16 C ATOM 774 OG SER A 50 -14.454 0.132 8.331 1.00 0.17 O ATOM 0 H SER A 50 -13.193 2.202 7.118 1.00 0.12 H new ATOM 0 HA SER A 50 -11.168 0.259 7.773 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.789 -0.503 9.381 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.988 1.235 9.287 1.00 0.16 H new ATOM 0 HG SER A 50 -15.024 0.108 9.128 1.00 0.17 H new ATOM 780 N ASN A 51 -13.104 -0.525 5.401 1.00 0.13 N ATOM 781 CA ASN A 51 -13.503 -1.598 4.443 1.00 0.15 C ATOM 782 C ASN A 51 -12.378 -1.823 3.424 1.00 0.13 C ATOM 783 O ASN A 51 -12.478 -2.662 2.551 1.00 0.14 O ATOM 784 CB ASN A 51 -14.775 -1.150 3.720 1.00 0.17 C ATOM 785 CG ASN A 51 -15.331 -2.298 2.871 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.727 -2.697 1.896 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.472 -2.841 3.197 1.00 0.32 N ATOM 0 H ASN A 51 -13.273 0.426 5.073 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.685 -2.531 4.977 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.522 -0.830 4.447 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.558 -0.290 3.086 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.855 -3.600 2.633 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.980 -2.507 4.016 1.00 0.32 H new ATOM 794 N VAL A 52 -11.305 -1.074 3.529 1.00 0.11 N ATOM 795 CA VAL A 52 -10.161 -1.227 2.572 1.00 0.10 C ATOM 796 C VAL A 52 -8.915 -1.676 3.335 1.00 0.10 C ATOM 797 O VAL A 52 -8.706 -1.313 4.475 1.00 0.11 O ATOM 798 CB VAL A 52 -9.881 0.119 1.906 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.740 -0.038 0.897 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.145 0.611 1.188 1.00 0.12 C ATOM 0 H VAL A 52 -11.172 -0.357 4.243 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.415 -1.970 1.816 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.594 0.847 2.665 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.540 0.922 0.422 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.843 -0.382 1.412 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -9.024 -0.767 0.138 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.943 1.571 0.713 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.438 -0.114 0.429 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.953 0.726 1.911 1.00 0.12 H new ATOM 810 N ILE A 53 -8.092 -2.478 2.711 1.00 0.09 N ATOM 811 CA ILE A 53 -6.855 -2.979 3.382 1.00 0.09 C ATOM 812 C ILE A 53 -5.650 -2.141 2.922 1.00 0.09 C ATOM 813 O ILE A 53 -5.458 -1.918 1.743 1.00 0.14 O ATOM 814 CB ILE A 53 -6.626 -4.440 2.976 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.954 -5.226 2.999 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.599 -5.090 3.908 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.751 -4.985 4.294 1.00 0.17 C ATOM 0 H ILE A 53 -8.225 -2.811 1.756 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.967 -2.902 4.463 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.237 -4.462 1.958 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.561 -4.935 2.142 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.746 -6.291 2.896 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.444 -6.127 3.611 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.655 -4.549 3.843 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.966 -5.057 4.934 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.677 -5.559 4.263 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.156 -5.301 5.151 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.985 -3.924 4.385 1.00 0.17 H new ATOM 829 N PHE A 54 -4.833 -1.692 3.844 1.00 0.08 N ATOM 830 CA PHE A 54 -3.623 -0.881 3.480 1.00 0.08 C ATOM 831 C PHE A 54 -2.366 -1.635 3.918 1.00 0.08 C ATOM 832 O PHE A 54 -2.270 -2.093 5.039 1.00 0.11 O ATOM 833 CB PHE A 54 -3.677 0.463 4.205 1.00 0.08 C ATOM 834 CG PHE A 54 -4.853 1.265 3.695 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.822 1.796 2.393 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.976 1.480 4.516 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.914 2.544 1.912 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.067 2.228 4.033 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.035 2.760 2.732 1.00 0.09 C ATOM 0 H PHE A 54 -4.952 -1.853 4.844 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.602 -0.716 2.403 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.770 0.305 5.279 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.750 1.013 4.043 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.961 1.630 1.762 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.001 1.072 5.516 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.890 2.952 0.912 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.929 2.393 4.662 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.872 3.335 2.363 1.00 0.09 H new ATOM 849 N LEU A 55 -1.405 -1.772 3.040 1.00 0.08 N ATOM 850 CA LEU A 55 -0.141 -2.501 3.383 1.00 0.09 C ATOM 851 C LEU A 55 1.020 -1.501 3.388 1.00 0.09 C ATOM 852 O LEU A 55 0.871 -0.359 3.004 1.00 0.10 O ATOM 853 CB LEU A 55 0.129 -3.590 2.324 1.00 0.10 C ATOM 854 CG LEU A 55 -0.698 -4.856 2.606 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.173 -4.504 2.850 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.585 -5.795 1.398 1.00 0.12 C ATOM 0 H LEU A 55 -1.441 -1.406 2.088 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.237 -2.967 4.364 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.115 -3.206 1.333 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.190 -3.839 2.317 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.313 -5.342 3.502 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.737 -5.416 3.047 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.251 -3.837 3.708 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.580 -4.009 1.968 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.167 -6.698 1.583 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.968 -5.293 0.510 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.460 -6.062 1.242 1.00 0.12 H new ATOM 868 N GLU A 56 2.178 -1.929 3.815 1.00 0.09 N ATOM 869 CA GLU A 56 3.363 -1.018 3.846 1.00 0.09 C ATOM 870 C GLU A 56 4.598 -1.826 3.440 1.00 0.09 C ATOM 871 O GLU A 56 4.714 -2.991 3.764 1.00 0.10 O ATOM 872 CB GLU A 56 3.539 -0.457 5.265 1.00 0.09 C ATOM 873 CG GLU A 56 4.455 0.773 5.234 1.00 0.11 C ATOM 874 CD GLU A 56 4.396 1.492 6.583 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.501 2.302 6.762 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.249 1.225 7.414 1.00 1.24 O ATOM 0 H GLU A 56 2.357 -2.877 4.146 1.00 0.09 H new ATOM 0 HA GLU A 56 3.224 -0.185 3.157 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.568 -0.187 5.681 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.964 -1.221 5.917 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.479 0.471 5.016 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.146 1.449 4.437 1.00 0.11 H new ATOM 883 N VAL A 57 5.512 -1.230 2.713 1.00 0.08 N ATOM 884 CA VAL A 57 6.723 -1.986 2.266 1.00 0.08 C ATOM 885 C VAL A 57 7.964 -1.089 2.304 1.00 0.09 C ATOM 886 O VAL A 57 7.941 0.049 1.870 1.00 0.14 O ATOM 887 CB VAL A 57 6.502 -2.472 0.831 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.683 -3.343 0.402 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.210 -3.290 0.759 1.00 0.09 C ATOM 0 H VAL A 57 5.472 -0.257 2.411 1.00 0.08 H new ATOM 0 HA VAL A 57 6.880 -2.831 2.936 1.00 0.08 H new ATOM 0 HB VAL A 57 6.422 -1.613 0.165 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.527 -3.690 -0.620 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.602 -2.759 0.451 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.763 -4.202 1.069 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.054 -3.635 -0.263 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.286 -4.150 1.425 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.368 -2.668 1.064 1.00 0.09 H new ATOM 899 N ASP A 58 9.056 -1.614 2.807 1.00 0.09 N ATOM 900 CA ASP A 58 10.331 -0.834 2.871 1.00 0.09 C ATOM 901 C ASP A 58 11.196 -1.218 1.664 1.00 0.10 C ATOM 902 O ASP A 58 11.793 -2.276 1.626 1.00 0.11 O ATOM 903 CB ASP A 58 11.072 -1.176 4.173 1.00 0.11 C ATOM 904 CG ASP A 58 12.128 -0.106 4.462 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.744 1.020 4.730 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.304 -0.432 4.411 1.00 1.08 O ATOM 0 H ASP A 58 9.118 -2.561 3.180 1.00 0.09 H new ATOM 0 HA ASP A 58 10.122 0.236 2.852 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.365 -1.236 5.000 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.545 -2.154 4.087 1.00 0.11 H new ATOM 911 N VAL A 59 11.246 -0.376 0.670 1.00 0.12 N ATOM 912 CA VAL A 59 12.044 -0.693 -0.553 1.00 0.15 C ATOM 913 C VAL A 59 13.528 -0.866 -0.212 1.00 0.18 C ATOM 914 O VAL A 59 14.315 -1.254 -1.053 1.00 0.27 O ATOM 915 CB VAL A 59 11.895 0.452 -1.557 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.472 0.465 -2.111 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.179 1.783 -0.858 1.00 0.22 C ATOM 0 H VAL A 59 10.766 0.524 0.650 1.00 0.12 H new ATOM 0 HA VAL A 59 11.673 -1.626 -0.977 1.00 0.15 H new ATOM 0 HB VAL A 59 12.602 0.310 -2.374 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.367 1.281 -2.826 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.267 -0.483 -2.609 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.765 0.606 -1.294 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.073 2.599 -1.573 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.472 1.923 -0.040 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.195 1.777 -0.462 1.00 0.22 H new ATOM 927 N ASP A 60 13.924 -0.569 0.998 1.00 0.16 N ATOM 928 CA ASP A 60 15.370 -0.693 1.372 1.00 0.18 C ATOM 929 C ASP A 60 15.623 -1.987 2.146 1.00 0.17 C ATOM 930 O ASP A 60 16.576 -2.695 1.887 1.00 0.18 O ATOM 931 CB ASP A 60 15.762 0.490 2.255 1.00 0.21 C ATOM 932 CG ASP A 60 15.657 1.796 1.463 1.00 0.24 C ATOM 933 OD1 ASP A 60 14.571 2.349 1.410 1.00 1.08 O ATOM 934 OD2 ASP A 60 16.665 2.224 0.929 1.00 1.11 O ATOM 0 H ASP A 60 13.311 -0.245 1.746 1.00 0.16 H new ATOM 0 HA ASP A 60 15.964 -0.705 0.458 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.112 0.532 3.129 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.780 0.359 2.621 1.00 0.21 H new ATOM 939 N ASP A 61 14.799 -2.293 3.109 1.00 0.17 N ATOM 940 CA ASP A 61 15.014 -3.533 3.915 1.00 0.17 C ATOM 941 C ASP A 61 14.213 -4.691 3.305 1.00 0.16 C ATOM 942 O ASP A 61 14.443 -5.842 3.619 1.00 0.18 O ATOM 943 CB ASP A 61 14.565 -3.260 5.360 1.00 0.19 C ATOM 944 CG ASP A 61 14.289 -4.576 6.098 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.117 -5.468 6.006 1.00 1.12 O ATOM 946 OD2 ASP A 61 13.255 -4.668 6.737 1.00 1.07 O ATOM 0 H ASP A 61 13.985 -1.739 3.375 1.00 0.17 H new ATOM 0 HA ASP A 61 16.068 -3.811 3.912 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.336 -2.697 5.886 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.666 -2.643 5.357 1.00 0.19 H new ATOM 951 N ALA A 62 13.286 -4.397 2.426 1.00 0.16 N ATOM 952 CA ALA A 62 12.474 -5.477 1.778 1.00 0.16 C ATOM 953 C ALA A 62 12.725 -5.453 0.268 1.00 0.16 C ATOM 954 O ALA A 62 11.808 -5.512 -0.526 1.00 0.15 O ATOM 955 CB ALA A 62 10.985 -5.237 2.057 1.00 0.17 C ATOM 0 H ALA A 62 13.055 -3.450 2.127 1.00 0.16 H new ATOM 0 HA ALA A 62 12.762 -6.447 2.182 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.395 -6.023 1.585 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.810 -5.248 3.133 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.690 -4.269 1.651 1.00 0.17 H new ATOM 961 N GLN A 63 13.964 -5.363 -0.133 1.00 0.20 N ATOM 962 CA GLN A 63 14.276 -5.331 -1.590 1.00 0.22 C ATOM 963 C GLN A 63 13.662 -6.554 -2.275 1.00 0.20 C ATOM 964 O GLN A 63 13.540 -6.603 -3.484 1.00 0.20 O ATOM 965 CB GLN A 63 15.792 -5.348 -1.793 1.00 0.29 C ATOM 966 CG GLN A 63 16.417 -4.122 -1.119 1.00 0.90 C ATOM 967 CD GLN A 63 17.841 -3.917 -1.643 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.101 -4.097 -2.817 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.781 -3.547 -0.817 1.00 2.22 N ATOM 0 H GLN A 63 14.773 -5.310 0.485 1.00 0.20 H new ATOM 0 HA GLN A 63 13.860 -4.422 -2.024 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.215 -6.261 -1.373 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.026 -5.349 -2.858 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.814 -3.237 -1.320 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.433 -4.258 -0.038 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.564 -3.396 0.168 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.733 -3.409 -1.156 1.00 2.22 H new ATOM 978 N ASP A 64 13.275 -7.543 -1.518 1.00 0.19 N ATOM 979 CA ASP A 64 12.670 -8.756 -2.136 1.00 0.20 C ATOM 980 C ASP A 64 11.287 -8.400 -2.685 1.00 0.17 C ATOM 981 O ASP A 64 10.912 -8.814 -3.764 1.00 0.19 O ATOM 982 CB ASP A 64 12.545 -9.862 -1.080 1.00 0.22 C ATOM 983 CG ASP A 64 12.091 -9.261 0.253 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.764 -8.087 0.276 1.00 1.09 O ATOM 985 OD2 ASP A 64 12.075 -9.990 1.232 1.00 1.11 O ATOM 0 H ASP A 64 13.351 -7.564 -0.501 1.00 0.19 H new ATOM 0 HA ASP A 64 13.303 -9.112 -2.949 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.830 -10.615 -1.412 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.503 -10.366 -0.954 1.00 0.22 H new ATOM 990 N VAL A 65 10.531 -7.624 -1.960 1.00 0.15 N ATOM 991 CA VAL A 65 9.183 -7.233 -2.453 1.00 0.16 C ATOM 992 C VAL A 65 9.352 -6.209 -3.576 1.00 0.16 C ATOM 993 O VAL A 65 8.744 -6.313 -4.623 1.00 0.19 O ATOM 994 CB VAL A 65 8.375 -6.618 -1.309 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.919 -6.449 -1.746 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.435 -7.538 -0.088 1.00 0.18 C ATOM 0 H VAL A 65 10.788 -7.245 -1.049 1.00 0.15 H new ATOM 0 HA VAL A 65 8.654 -8.110 -2.827 1.00 0.16 H new ATOM 0 HB VAL A 65 8.794 -5.645 -1.052 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.343 -6.011 -0.931 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.874 -5.793 -2.616 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.501 -7.422 -2.003 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.859 -7.099 0.727 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.017 -8.511 -0.345 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.472 -7.660 0.225 1.00 0.18 H new ATOM 1006 N ALA A 66 10.189 -5.228 -3.372 1.00 0.16 N ATOM 1007 CA ALA A 66 10.415 -4.208 -4.434 1.00 0.18 C ATOM 1008 C ALA A 66 11.013 -4.899 -5.659 1.00 0.19 C ATOM 1009 O ALA A 66 10.708 -4.564 -6.786 1.00 0.20 O ATOM 1010 CB ALA A 66 11.387 -3.138 -3.924 1.00 0.22 C ATOM 0 H ALA A 66 10.726 -5.089 -2.516 1.00 0.16 H new ATOM 0 HA ALA A 66 9.470 -3.733 -4.698 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.550 -2.394 -4.703 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.966 -2.654 -3.043 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.337 -3.604 -3.663 1.00 0.22 H new ATOM 1016 N SER A 67 11.859 -5.870 -5.443 1.00 0.21 N ATOM 1017 CA SER A 67 12.473 -6.592 -6.589 1.00 0.26 C ATOM 1018 C SER A 67 11.377 -7.330 -7.360 1.00 0.26 C ATOM 1019 O SER A 67 11.295 -7.258 -8.570 1.00 0.29 O ATOM 1020 CB SER A 67 13.500 -7.600 -6.067 1.00 0.31 C ATOM 1021 OG SER A 67 14.649 -6.902 -5.602 1.00 1.29 O ATOM 0 H SER A 67 12.150 -6.193 -4.520 1.00 0.21 H new ATOM 0 HA SER A 67 12.970 -5.881 -7.248 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.068 -8.192 -5.260 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.778 -8.296 -6.858 1.00 0.31 H new ATOM 0 HG SER A 67 14.425 -6.413 -4.783 1.00 1.29 H new ATOM 1027 N GLU A 68 10.531 -8.036 -6.663 1.00 0.26 N ATOM 1028 CA GLU A 68 9.435 -8.778 -7.345 1.00 0.30 C ATOM 1029 C GLU A 68 8.488 -7.785 -8.025 1.00 0.31 C ATOM 1030 O GLU A 68 7.943 -8.055 -9.076 1.00 0.36 O ATOM 1031 CB GLU A 68 8.664 -9.606 -6.308 1.00 0.31 C ATOM 1032 CG GLU A 68 7.578 -10.448 -6.998 1.00 0.39 C ATOM 1033 CD GLU A 68 6.317 -9.603 -7.206 1.00 1.43 C ATOM 1034 OE1 GLU A 68 5.710 -9.228 -6.217 1.00 2.20 O ATOM 1035 OE2 GLU A 68 5.980 -9.348 -8.351 1.00 2.19 O ATOM 0 H GLU A 68 10.552 -8.131 -5.648 1.00 0.26 H new ATOM 0 HA GLU A 68 9.856 -9.442 -8.100 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.352 -10.258 -5.769 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.208 -8.945 -5.571 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.944 -10.813 -7.958 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.344 -11.323 -6.392 1.00 0.39 H new ATOM 1042 N ALA A 69 8.290 -6.635 -7.433 1.00 0.29 N ATOM 1043 CA ALA A 69 7.380 -5.620 -8.046 1.00 0.31 C ATOM 1044 C ALA A 69 8.182 -4.709 -8.980 1.00 0.29 C ATOM 1045 O ALA A 69 7.632 -3.893 -9.693 1.00 0.33 O ATOM 1046 CB ALA A 69 6.744 -4.776 -6.940 1.00 0.31 C ATOM 0 H ALA A 69 8.719 -6.355 -6.551 1.00 0.29 H new ATOM 0 HA ALA A 69 6.601 -6.128 -8.615 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.080 -4.035 -7.384 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.173 -5.421 -6.273 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.526 -4.270 -6.374 1.00 0.31 H new ATOM 1052 N GLU A 70 9.480 -4.847 -8.986 1.00 0.27 N ATOM 1053 CA GLU A 70 10.324 -3.997 -9.875 1.00 0.29 C ATOM 1054 C GLU A 70 9.967 -2.517 -9.688 1.00 0.25 C ATOM 1055 O GLU A 70 9.553 -1.849 -10.615 1.00 0.26 O ATOM 1056 CB GLU A 70 10.085 -4.398 -11.332 1.00 0.38 C ATOM 1057 CG GLU A 70 10.221 -5.916 -11.474 1.00 1.18 C ATOM 1058 CD GLU A 70 10.014 -6.315 -12.936 1.00 1.61 C ATOM 1059 OE1 GLU A 70 8.872 -6.359 -13.362 1.00 2.06 O ATOM 1060 OE2 GLU A 70 11.002 -6.571 -13.605 1.00 2.34 O ATOM 0 H GLU A 70 9.995 -5.514 -8.411 1.00 0.27 H new ATOM 0 HA GLU A 70 11.373 -4.143 -9.617 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.092 -4.080 -11.649 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.803 -3.896 -11.981 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.206 -6.236 -11.135 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.488 -6.418 -10.842 1.00 1.18 H new ATOM 1067 N VAL A 71 10.136 -1.995 -8.502 1.00 0.22 N ATOM 1068 CA VAL A 71 9.821 -0.554 -8.261 1.00 0.19 C ATOM 1069 C VAL A 71 10.969 0.303 -8.797 1.00 0.23 C ATOM 1070 O VAL A 71 12.126 -0.027 -8.630 1.00 0.28 O ATOM 1071 CB VAL A 71 9.656 -0.311 -6.762 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.194 1.127 -6.532 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.608 -1.276 -6.205 1.00 0.19 C ATOM 0 H VAL A 71 10.479 -2.504 -7.688 1.00 0.22 H new ATOM 0 HA VAL A 71 8.895 -0.288 -8.771 1.00 0.19 H new ATOM 0 HB VAL A 71 10.608 -0.475 -6.257 1.00 0.18 H new ATOM 0 HG11 VAL A 71 9.075 1.304 -5.463 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.937 1.816 -6.934 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.240 1.288 -7.035 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.488 -1.105 -5.135 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.656 -1.109 -6.708 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.932 -2.303 -6.374 1.00 0.19 H new ATOM 1083 N LYS A 72 10.657 1.398 -9.450 1.00 0.24 N ATOM 1084 CA LYS A 72 11.726 2.284 -10.017 1.00 0.29 C ATOM 1085 C LYS A 72 11.570 3.700 -9.454 1.00 0.26 C ATOM 1086 O LYS A 72 12.419 4.549 -9.645 1.00 0.27 O ATOM 1087 CB LYS A 72 11.589 2.332 -11.547 1.00 0.35 C ATOM 1088 CG LYS A 72 11.671 0.912 -12.139 1.00 0.43 C ATOM 1089 CD LYS A 72 13.137 0.523 -12.383 1.00 1.16 C ATOM 1090 CE LYS A 72 13.230 -0.977 -12.692 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.516 -1.260 -13.390 1.00 2.40 N ATOM 0 H LYS A 72 9.703 1.718 -9.616 1.00 0.24 H new ATOM 0 HA LYS A 72 12.705 1.889 -9.746 1.00 0.29 H new ATOM 0 HB2 LYS A 72 10.639 2.792 -11.819 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.377 2.955 -11.970 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.206 0.199 -11.458 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.115 0.868 -13.075 1.00 0.43 H new ATOM 0 HD2 LYS A 72 13.543 1.101 -13.213 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.737 0.761 -11.505 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.170 -1.554 -11.769 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.390 -1.284 -13.315 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.581 -2.276 -13.600 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.555 -0.720 -14.278 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 15.311 -0.982 -12.780 1.00 2.40 H new ATOM 1105 N ALA A 73 10.494 3.966 -8.761 1.00 0.22 N ATOM 1106 CA ALA A 73 10.295 5.335 -8.187 1.00 0.20 C ATOM 1107 C ALA A 73 9.406 5.248 -6.944 1.00 0.18 C ATOM 1108 O ALA A 73 8.399 4.576 -6.948 1.00 0.16 O ATOM 1109 CB ALA A 73 9.630 6.242 -9.240 1.00 0.21 C ATOM 0 H ALA A 73 9.746 3.300 -8.567 1.00 0.22 H new ATOM 0 HA ALA A 73 11.261 5.755 -7.907 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.485 7.238 -8.823 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.269 6.307 -10.120 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.664 5.823 -9.523 1.00 0.21 H new ATOM 1115 N THR A 74 9.768 5.938 -5.887 1.00 0.18 N ATOM 1116 CA THR A 74 8.943 5.916 -4.635 1.00 0.17 C ATOM 1117 C THR A 74 8.383 7.331 -4.406 1.00 0.17 C ATOM 1118 O THR A 74 9.024 8.291 -4.778 1.00 0.19 O ATOM 1119 CB THR A 74 9.835 5.534 -3.431 1.00 0.19 C ATOM 1120 OG1 THR A 74 11.094 6.173 -3.571 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.059 4.009 -3.347 1.00 0.19 C ATOM 0 H THR A 74 10.605 6.519 -5.838 1.00 0.18 H new ATOM 0 HA THR A 74 8.136 5.190 -4.733 1.00 0.17 H new ATOM 0 HB THR A 74 9.331 5.856 -2.520 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.667 5.938 -2.811 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.690 3.781 -2.488 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.099 3.506 -3.235 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.546 3.662 -4.258 1.00 0.19 H new ATOM 1129 N PRO A 75 7.229 7.447 -3.780 1.00 0.17 N ATOM 1130 CA PRO A 75 6.406 6.310 -3.301 1.00 0.16 C ATOM 1131 C PRO A 75 5.653 5.668 -4.476 1.00 0.14 C ATOM 1132 O PRO A 75 5.249 6.342 -5.402 1.00 0.14 O ATOM 1133 CB PRO A 75 5.408 6.955 -2.314 1.00 0.17 C ATOM 1134 CG PRO A 75 5.522 8.496 -2.483 1.00 0.20 C ATOM 1135 CD PRO A 75 6.669 8.773 -3.474 1.00 0.19 C ATOM 0 HA PRO A 75 7.003 5.523 -2.840 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.392 6.620 -2.521 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.638 6.663 -1.289 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.585 8.911 -2.856 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.722 8.973 -1.523 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.303 9.266 -4.375 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.421 9.429 -3.035 1.00 0.19 H new ATOM 1143 N THR A 76 5.445 4.371 -4.430 1.00 0.13 N ATOM 1144 CA THR A 76 4.695 3.680 -5.531 1.00 0.12 C ATOM 1145 C THR A 76 3.430 3.066 -4.941 1.00 0.12 C ATOM 1146 O THR A 76 3.492 2.249 -4.044 1.00 0.18 O ATOM 1147 CB THR A 76 5.553 2.554 -6.141 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.903 2.974 -6.210 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.059 2.234 -7.555 1.00 0.13 C ATOM 0 H THR A 76 5.763 3.761 -3.677 1.00 0.13 H new ATOM 0 HA THR A 76 4.451 4.403 -6.310 1.00 0.12 H new ATOM 0 HB THR A 76 5.472 1.665 -5.515 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.969 3.770 -6.778 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.669 1.438 -7.982 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.019 1.912 -7.513 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.138 3.125 -8.178 1.00 0.13 H new ATOM 1157 N PHE A 77 2.282 3.434 -5.444 1.00 0.09 N ATOM 1158 CA PHE A 77 1.019 2.844 -4.914 1.00 0.09 C ATOM 1159 C PHE A 77 0.582 1.729 -5.848 1.00 0.09 C ATOM 1160 O PHE A 77 0.270 1.955 -7.001 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.073 3.909 -4.842 1.00 0.10 C ATOM 1162 CG PHE A 77 0.254 4.869 -3.729 1.00 0.10 C ATOM 1163 CD1 PHE A 77 0.037 4.481 -2.396 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.780 6.142 -4.018 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.343 5.369 -1.350 1.00 0.09 C ATOM 1166 CE2 PHE A 77 1.086 7.029 -2.973 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.867 6.645 -1.638 1.00 0.12 C ATOM 0 H PHE A 77 2.164 4.114 -6.195 1.00 0.09 H new ATOM 0 HA PHE A 77 1.189 2.454 -3.910 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.143 4.441 -5.790 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.043 3.443 -4.665 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.364 3.503 -2.176 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.948 6.437 -5.043 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.176 5.073 -0.325 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.489 8.006 -3.195 1.00 0.15 H new ATOM 0 HZ PHE A 77 1.100 7.327 -0.834 1.00 0.12 H new ATOM 1177 N GLN A 78 0.564 0.524 -5.354 1.00 0.07 N ATOM 1178 CA GLN A 78 0.155 -0.637 -6.190 1.00 0.07 C ATOM 1179 C GLN A 78 -1.119 -1.221 -5.593 1.00 0.06 C ATOM 1180 O GLN A 78 -1.289 -1.260 -4.390 1.00 0.07 O ATOM 1181 CB GLN A 78 1.278 -1.680 -6.179 1.00 0.08 C ATOM 1182 CG GLN A 78 2.632 -0.974 -6.280 1.00 0.12 C ATOM 1183 CD GLN A 78 3.708 -1.984 -6.687 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.415 -3.141 -6.916 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.948 -1.594 -6.787 1.00 1.03 N ATOM 0 H GLN A 78 0.819 0.291 -4.394 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.029 -0.333 -7.220 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.231 -2.270 -5.264 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.154 -2.372 -7.012 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.580 -0.168 -7.012 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.889 -0.519 -5.323 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.194 -0.623 -6.595 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.672 -2.260 -7.057 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.028 -1.637 -6.428 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.324 -2.184 -5.931 1.00 0.07 C ATOM 1196 C PHE A 79 -3.404 -3.682 -6.210 1.00 0.07 C ATOM 1197 O PHE A 79 -3.090 -4.144 -7.288 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.461 -1.459 -6.649 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.442 -0.005 -6.238 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.410 0.833 -6.688 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.436 0.506 -5.388 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.371 2.183 -6.296 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.399 1.854 -4.989 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.366 2.692 -5.441 1.00 0.11 C ATOM 0 H PHE A 79 -1.929 -1.622 -7.443 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.403 -2.031 -4.855 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.344 -1.548 -7.729 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.419 -1.912 -6.394 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.643 0.439 -7.338 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.231 -0.137 -5.040 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.580 2.827 -6.650 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.165 2.245 -4.335 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.336 3.727 -5.132 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.828 -4.439 -5.231 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.944 -5.918 -5.396 1.00 0.08 C ATOM 1216 C PHE A 80 -5.325 -6.363 -4.927 1.00 0.11 C ATOM 1217 O PHE A 80 -5.959 -5.719 -4.115 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.874 -6.619 -4.551 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.518 -6.470 -5.206 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.130 -7.356 -6.229 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.640 -5.454 -4.787 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.138 -7.226 -6.829 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.624 -5.324 -5.389 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.014 -6.209 -6.407 1.00 0.14 C ATOM 0 H PHE A 80 -4.102 -4.090 -4.313 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.803 -6.180 -6.445 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.852 -6.191 -3.549 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.120 -7.675 -4.441 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.804 -8.135 -6.554 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.937 -4.774 -4.003 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.437 -7.907 -7.612 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.296 -4.542 -5.068 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.986 -6.109 -6.866 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.793 -7.467 -5.430 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.129 -7.974 -5.022 1.00 0.14 C ATOM 1236 C LYS A 81 -7.141 -9.490 -5.231 1.00 0.14 C ATOM 1237 O LYS A 81 -6.880 -9.974 -6.314 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.215 -7.303 -5.882 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.579 -7.391 -5.187 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.599 -6.543 -5.954 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.900 -6.467 -5.154 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.472 -7.835 -5.002 1.00 1.48 N ATOM 0 H LYS A 81 -5.303 -8.045 -6.113 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.329 -7.744 -3.976 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.956 -6.259 -6.057 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.265 -7.786 -6.858 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.911 -8.428 -5.144 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.498 -7.040 -4.158 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.203 -5.541 -6.122 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.787 -6.980 -6.935 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.711 -6.029 -4.174 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.614 -5.817 -5.661 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.487 -7.814 -5.228 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -11.986 -8.488 -5.649 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.342 -8.159 -4.022 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.418 -10.240 -4.200 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.429 -11.724 -4.333 1.00 0.20 C ATOM 1258 C LYS A 82 -6.080 -12.214 -4.879 1.00 0.20 C ATOM 1259 O LYS A 82 -6.005 -13.226 -5.546 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.561 -12.152 -5.280 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.895 -12.158 -4.524 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.021 -12.621 -5.459 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.244 -11.595 -6.580 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.629 -11.739 -7.111 1.00 1.67 N ATOM 0 H LYS A 82 -7.638 -9.888 -3.268 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.595 -12.167 -3.351 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.616 -11.469 -6.128 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.356 -13.144 -5.682 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.831 -12.821 -3.661 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.113 -11.160 -4.144 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.769 -13.590 -5.890 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.942 -12.754 -4.891 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -11.091 -10.585 -6.200 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.518 -11.748 -7.379 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.783 -11.046 -7.870 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.758 -12.700 -7.488 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.313 -11.572 -6.346 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.014 -11.523 -4.581 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.677 -11.976 -5.066 1.00 0.21 C ATOM 1280 C GLY A 83 -3.441 -11.514 -6.507 1.00 0.19 C ATOM 1281 O GLY A 83 -2.435 -11.840 -7.104 1.00 0.22 O ATOM 0 H GLY A 83 -5.009 -10.668 -4.025 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.895 -11.579 -4.418 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.614 -13.063 -5.012 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.356 -10.763 -7.074 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.172 -10.288 -8.488 1.00 0.17 C ATOM 1287 C GLN A 84 -3.981 -8.771 -8.518 1.00 0.16 C ATOM 1288 O GLN A 84 -4.559 -8.041 -7.739 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.409 -10.640 -9.308 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.664 -12.147 -9.222 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.962 -12.488 -9.954 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -6.946 -13.173 -10.957 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.097 -12.037 -9.491 1.00 2.08 N ATOM 0 H GLN A 84 -5.219 -10.458 -6.623 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.290 -10.773 -8.906 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.274 -10.092 -8.935 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.267 -10.343 -10.347 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.831 -12.693 -9.664 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.730 -12.456 -8.179 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.112 -11.462 -8.649 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.969 -12.260 -9.972 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.176 -8.292 -9.430 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.944 -6.824 -9.537 1.00 0.17 C ATOM 1304 C LYS A 85 -4.028 -6.218 -10.436 1.00 0.16 C ATOM 1305 O LYS A 85 -4.476 -6.843 -11.375 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.561 -6.577 -10.144 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.099 -5.158 -9.783 1.00 0.25 C ATOM 1308 CD LYS A 85 0.149 -4.770 -10.581 1.00 0.30 C ATOM 1309 CE LYS A 85 1.181 -5.903 -10.553 1.00 0.89 C ATOM 1310 NZ LYS A 85 2.507 -5.377 -10.985 1.00 1.70 N ATOM 0 H LYS A 85 -2.667 -8.859 -10.108 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.988 -6.361 -8.551 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.849 -7.311 -9.768 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.599 -6.696 -11.227 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.901 -4.448 -9.986 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -0.885 -5.101 -8.716 1.00 0.25 H new ATOM 0 HD2 LYS A 85 -0.127 -4.547 -11.612 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.586 -3.862 -10.165 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.253 -6.319 -9.548 1.00 0.89 H new ATOM 0 HE3 LYS A 85 0.866 -6.712 -11.212 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 3.208 -6.145 -10.966 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 2.433 -4.999 -11.951 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.807 -4.619 -10.339 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.466 -5.016 -10.143 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.542 -4.374 -10.967 1.00 0.16 C ATOM 1326 C VAL A 86 -5.096 -2.986 -11.451 1.00 0.18 C ATOM 1327 O VAL A 86 -5.593 -2.483 -12.439 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.812 -4.242 -10.113 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.507 -5.602 -10.008 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.441 -3.762 -8.708 1.00 0.17 C ATOM 0 H VAL A 86 -4.124 -4.450 -9.367 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.742 -4.994 -11.841 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.482 -3.522 -10.582 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.407 -5.505 -9.402 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.777 -5.951 -11.005 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.832 -6.320 -9.543 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.344 -3.669 -8.105 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.767 -4.482 -8.244 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.947 -2.792 -8.773 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.174 -2.355 -10.775 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.731 -1.003 -11.230 1.00 0.18 C ATOM 1342 C GLY A 87 -2.580 -0.499 -10.354 1.00 0.10 C ATOM 1343 O GLY A 87 -2.152 -1.168 -9.434 1.00 0.08 O ATOM 0 H GLY A 87 -3.713 -2.710 -9.938 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.412 -1.049 -12.271 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.566 -0.304 -11.183 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.070 0.674 -10.637 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.942 1.215 -9.822 1.00 0.10 C ATOM 1349 C GLU A 88 -0.616 2.646 -10.249 1.00 0.10 C ATOM 1350 O GLU A 88 -0.913 3.064 -11.351 1.00 0.11 O ATOM 1351 CB GLU A 88 0.295 0.337 -10.028 1.00 0.17 C ATOM 1352 CG GLU A 88 0.508 0.096 -11.524 1.00 0.25 C ATOM 1353 CD GLU A 88 1.874 -0.554 -11.747 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.850 0.175 -11.826 1.00 2.04 O ATOM 1355 OE2 GLU A 88 1.922 -1.770 -11.835 1.00 1.94 O ATOM 0 H GLU A 88 -2.386 1.278 -11.396 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.233 1.215 -8.772 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.172 0.820 -9.598 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.169 -0.614 -9.510 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.281 -0.547 -11.915 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.449 1.039 -12.067 1.00 0.25 H new ATOM 1362 N PHE A 89 0.020 3.391 -9.386 1.00 0.09 N ATOM 1363 CA PHE A 89 0.400 4.790 -9.742 1.00 0.09 C ATOM 1364 C PHE A 89 1.363 5.361 -8.692 1.00 0.09 C ATOM 1365 O PHE A 89 1.133 5.269 -7.507 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.852 5.681 -9.881 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.400 6.104 -8.530 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.729 7.079 -7.760 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.601 5.545 -8.053 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.254 7.483 -6.521 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.126 5.954 -6.812 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.454 6.921 -6.047 1.00 0.11 C ATOM 0 H PHE A 89 0.293 3.092 -8.450 1.00 0.09 H new ATOM 0 HA PHE A 89 0.908 4.776 -10.706 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.604 6.567 -10.465 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.622 5.141 -10.432 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.190 7.515 -8.124 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.120 4.802 -8.640 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.736 8.225 -5.932 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.047 5.523 -6.448 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.858 7.233 -5.095 1.00 0.11 H new ATOM 1382 N SER A 90 2.443 5.960 -9.129 1.00 0.13 N ATOM 1383 CA SER A 90 3.431 6.557 -8.175 1.00 0.14 C ATOM 1384 C SER A 90 3.258 8.079 -8.181 1.00 0.14 C ATOM 1385 O SER A 90 2.342 8.605 -8.784 1.00 0.17 O ATOM 1386 CB SER A 90 4.845 6.204 -8.638 1.00 0.15 C ATOM 1387 OG SER A 90 5.238 7.103 -9.666 1.00 0.16 O ATOM 0 H SER A 90 2.685 6.062 -10.115 1.00 0.13 H new ATOM 0 HA SER A 90 3.269 6.169 -7.169 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.540 6.264 -7.801 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.875 5.178 -9.005 1.00 0.15 H new ATOM 0 HG SER A 90 6.141 7.437 -9.481 1.00 0.16 H new ATOM 1393 N GLY A 91 4.126 8.792 -7.516 1.00 0.12 N ATOM 1394 CA GLY A 91 4.012 10.283 -7.484 1.00 0.13 C ATOM 1395 C GLY A 91 3.210 10.703 -6.254 1.00 0.13 C ATOM 1396 O GLY A 91 2.149 10.176 -5.982 1.00 0.13 O ATOM 0 H GLY A 91 4.912 8.408 -6.992 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.004 10.734 -7.457 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.524 10.641 -8.390 1.00 0.13 H new ATOM 1400 N ALA A 92 3.711 11.640 -5.498 1.00 0.15 N ATOM 1401 CA ALA A 92 2.972 12.075 -4.279 1.00 0.17 C ATOM 1402 C ALA A 92 1.581 12.601 -4.654 1.00 0.15 C ATOM 1403 O ALA A 92 1.403 13.770 -4.932 1.00 0.16 O ATOM 1404 CB ALA A 92 3.759 13.176 -3.559 1.00 0.20 C ATOM 0 H ALA A 92 4.594 12.121 -5.669 1.00 0.15 H new ATOM 0 HA ALA A 92 2.858 11.216 -3.617 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.214 13.490 -2.669 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.738 12.794 -3.269 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.886 14.028 -4.226 1.00 0.20 H new ATOM 1410 N ASN A 93 0.593 11.746 -4.629 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.800 12.184 -4.943 1.00 0.13 C ATOM 1412 C ASN A 93 -1.747 11.472 -3.968 1.00 0.12 C ATOM 1413 O ASN A 93 -2.469 10.564 -4.328 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.142 11.814 -6.394 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.299 12.686 -6.889 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.363 13.029 -8.055 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.224 13.055 -6.048 1.00 1.15 N ATOM 0 H ASN A 93 0.691 10.756 -4.403 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.900 13.264 -4.836 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.269 11.955 -7.031 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.415 10.761 -6.456 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -4.002 13.632 -6.367 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.169 12.767 -5.071 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.721 11.872 -2.724 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.584 11.219 -1.698 1.00 0.20 C ATOM 1426 C LYS A 94 -4.063 11.404 -2.052 1.00 0.18 C ATOM 1427 O LYS A 94 -4.888 10.572 -1.736 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.301 11.843 -0.322 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.196 13.384 -0.442 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.721 13.822 -0.569 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.099 13.983 0.820 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.378 14.131 0.684 1.00 1.19 N ATOM 0 H LYS A 94 -1.134 12.629 -2.373 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.360 10.153 -1.672 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.096 11.579 0.375 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.374 11.439 0.084 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.758 13.725 -1.311 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.646 13.853 0.433 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.162 13.083 -1.143 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.659 14.763 -1.115 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.519 14.856 1.320 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.334 13.117 1.439 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.852 13.570 1.420 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.676 13.794 -0.254 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.638 15.132 0.790 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.414 12.479 -2.698 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.845 12.685 -3.049 1.00 0.20 C ATOM 1448 C GLU A 95 -6.266 11.623 -4.070 1.00 0.17 C ATOM 1449 O GLU A 95 -7.420 11.249 -4.157 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.024 14.082 -3.655 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.511 15.165 -2.675 1.00 0.33 C ATOM 1452 CD GLU A 95 -4.104 15.624 -3.079 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -3.341 14.795 -3.544 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -3.817 16.800 -2.919 1.00 1.95 O ATOM 0 H GLU A 95 -3.778 13.219 -2.996 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.463 12.599 -2.155 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.481 14.149 -4.598 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.076 14.256 -3.880 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.192 16.016 -2.673 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.494 14.768 -1.660 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.331 11.132 -4.836 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.652 10.092 -5.851 1.00 0.14 C ATOM 1463 C LYS A 96 -6.015 8.788 -5.144 1.00 0.12 C ATOM 1464 O LYS A 96 -6.853 8.039 -5.600 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.434 9.874 -6.759 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.862 9.203 -8.065 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.623 8.906 -8.914 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.056 8.408 -10.293 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.026 7.289 -10.135 1.00 2.05 N ATOM 0 H LYS A 96 -4.350 11.410 -4.801 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.497 10.418 -6.457 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.955 10.829 -6.973 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.697 9.255 -6.248 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.401 8.280 -7.853 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.545 9.852 -8.613 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.015 9.805 -9.015 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.004 8.155 -8.423 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.511 9.221 -10.858 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.187 8.073 -10.860 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.861 6.579 -10.877 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -4.900 6.849 -9.201 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.996 7.656 -10.216 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.398 8.508 -4.026 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.722 7.250 -3.295 1.00 0.11 C ATOM 1485 C LEU A 97 -7.236 7.158 -3.120 1.00 0.11 C ATOM 1486 O LEU A 97 -7.822 6.095 -3.191 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.062 7.273 -1.907 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.567 6.936 -2.010 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.910 7.208 -0.648 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.379 5.454 -2.402 1.00 0.13 C ATOM 0 H LEU A 97 -4.686 9.094 -3.590 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.352 6.394 -3.860 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.188 8.257 -1.456 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.557 6.556 -1.252 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.102 7.554 -2.778 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.847 6.974 -0.704 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.037 8.258 -0.386 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.380 6.585 0.113 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.315 5.228 -2.472 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.836 4.817 -1.645 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.853 5.270 -3.366 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.872 8.268 -2.884 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.349 8.250 -2.695 1.00 0.14 C ATOM 1504 C GLU A 98 -10.032 7.872 -4.011 1.00 0.13 C ATOM 1505 O GLU A 98 -10.787 6.923 -4.081 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.828 9.633 -2.250 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.305 9.556 -1.858 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.758 10.906 -1.296 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.349 11.917 -1.840 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.506 10.903 -0.333 1.00 2.15 O ATOM 0 H GLU A 98 -7.435 9.187 -2.814 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.604 7.516 -1.931 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.234 9.982 -1.405 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.691 10.354 -3.056 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.909 9.291 -2.726 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.454 8.773 -1.115 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.779 8.619 -5.049 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.419 8.323 -6.363 1.00 0.14 C ATOM 1519 C ALA A 99 -10.042 6.916 -6.839 1.00 0.12 C ATOM 1520 O ALA A 99 -10.867 6.191 -7.352 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.949 9.349 -7.396 1.00 0.15 C ATOM 0 H ALA A 99 -9.154 9.425 -5.045 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.502 8.377 -6.248 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.415 9.136 -8.358 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.232 10.350 -7.070 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.865 9.293 -7.497 1.00 0.15 H new ATOM 1527 N THR A 100 -8.804 6.529 -6.688 1.00 0.11 N ATOM 1528 CA THR A 100 -8.380 5.174 -7.151 1.00 0.11 C ATOM 1529 C THR A 100 -9.056 4.094 -6.308 1.00 0.10 C ATOM 1530 O THR A 100 -9.544 3.106 -6.820 1.00 0.11 O ATOM 1531 CB THR A 100 -6.862 5.040 -7.021 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.238 6.137 -7.666 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.403 3.738 -7.676 1.00 0.12 C ATOM 0 H THR A 100 -8.067 7.092 -6.264 1.00 0.11 H new ATOM 0 HA THR A 100 -8.673 5.050 -8.194 1.00 0.11 H new ATOM 0 HB THR A 100 -6.588 5.030 -5.966 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.289 6.163 -7.422 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.321 3.645 -7.582 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.884 2.893 -7.183 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.676 3.746 -8.731 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.090 4.270 -5.019 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.736 3.249 -4.150 1.00 0.11 C ATOM 1543 C ILE A 101 -11.223 3.161 -4.506 1.00 0.13 C ATOM 1544 O ILE A 101 -11.744 2.097 -4.775 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.560 3.666 -2.679 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.096 3.426 -2.256 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.495 2.843 -1.781 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.767 4.188 -0.961 1.00 0.18 C ATOM 0 H ILE A 101 -8.699 5.075 -4.529 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.277 2.272 -4.301 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.808 4.722 -2.573 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -7.926 2.360 -2.108 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.426 3.748 -3.053 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.362 3.146 -0.743 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.529 3.014 -2.079 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.258 1.784 -1.883 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.729 4.003 -0.683 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.915 5.256 -1.120 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.423 3.846 -0.161 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.907 4.269 -4.510 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.360 4.251 -4.842 1.00 0.17 C ATOM 1562 C ASN A 102 -13.567 3.698 -6.255 1.00 0.18 C ATOM 1563 O ASN A 102 -14.661 3.331 -6.631 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.907 5.677 -4.775 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.419 5.656 -5.010 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.117 4.820 -4.474 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -15.957 6.548 -5.797 1.00 1.03 N ATOM 0 H ASN A 102 -11.523 5.190 -4.297 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.884 3.616 -4.128 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.686 6.117 -3.803 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.420 6.300 -5.525 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -16.964 6.542 -5.961 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.371 7.251 -6.247 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.531 3.654 -7.048 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.678 3.143 -8.443 1.00 0.18 C ATOM 1576 C GLU A 103 -12.757 1.611 -8.448 1.00 0.19 C ATOM 1577 O GLU A 103 -13.701 1.029 -8.944 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.469 3.595 -9.277 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.808 3.542 -10.773 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.696 4.225 -11.571 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.227 5.261 -11.127 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -10.334 3.703 -12.612 1.00 2.01 O ATOM 0 H GLU A 103 -11.589 3.949 -6.791 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.597 3.542 -8.871 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.183 4.609 -8.997 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.613 2.953 -9.068 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.919 2.507 -11.095 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.761 4.037 -10.959 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.753 0.956 -7.927 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.739 -0.540 -7.925 1.00 0.19 C ATOM 1591 C LEU A 104 -12.329 -1.086 -6.618 1.00 0.19 C ATOM 1592 O LEU A 104 -12.191 -2.254 -6.311 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.290 -1.014 -8.081 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.717 -0.515 -9.421 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.187 -0.583 -9.378 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.233 -1.387 -10.577 1.00 0.35 C ATOM 0 H LEU A 104 -10.937 1.394 -7.500 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.347 -0.909 -8.751 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.685 -0.640 -7.255 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.248 -2.102 -8.040 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.037 0.514 -9.582 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.780 -0.230 -10.326 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.817 0.046 -8.568 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.873 -1.613 -9.210 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.821 -1.024 -11.519 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.923 -2.420 -10.420 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.321 -1.336 -10.614 1.00 0.35 H new ATOM 1608 N VAL A 105 -12.996 -0.266 -5.851 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.598 -0.771 -4.580 1.00 0.22 C ATOM 1610 C VAL A 105 -14.674 -1.808 -4.910 1.00 0.26 C ATOM 1611 O VAL A 105 -15.193 -1.763 -6.013 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.233 0.386 -3.805 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.339 1.024 -4.649 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -14.826 -0.144 -2.496 1.00 0.27 C ATOM 1615 OXT VAL A 105 -14.960 -2.629 -4.054 1.00 1.18 O ATOM 0 H VAL A 105 -13.150 0.723 -6.046 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.818 -1.225 -3.969 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.473 1.135 -3.583 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -15.790 1.848 -4.095 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -14.915 1.401 -5.579 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.101 0.278 -4.874 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.279 0.679 -1.942 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.586 -0.894 -2.718 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.036 -0.595 -1.895 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.888 0.186 6.098 1.00 0.00 N ATOM 1627 CA PHE B 1 22.323 1.403 5.453 1.00 0.00 C ATOM 1628 C PHE B 1 20.995 1.046 4.783 1.00 0.00 C ATOM 1629 O PHE B 1 20.709 -0.111 4.545 1.00 0.00 O ATOM 1630 CB PHE B 1 23.313 1.932 4.405 1.00 0.00 C ATOM 1631 CG PHE B 1 23.306 1.034 3.188 1.00 0.00 C ATOM 1632 CD1 PHE B 1 24.106 -0.122 3.159 1.00 0.00 C ATOM 1633 CD2 PHE B 1 22.492 1.355 2.087 1.00 0.00 C ATOM 1634 CE1 PHE B 1 24.093 -0.957 2.027 1.00 0.00 C ATOM 1635 CE2 PHE B 1 22.478 0.520 0.955 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.279 -0.636 0.925 1.00 0.00 C ATOM 0 H1 PHE B 1 23.477 0.464 6.908 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.113 -0.424 6.427 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.469 -0.334 5.410 1.00 0.00 H new ATOM 0 HA PHE B 1 22.153 2.175 6.204 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.044 2.949 4.119 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.316 1.976 4.829 1.00 0.00 H new ATOM 0 HD1 PHE B 1 24.730 -0.369 4.005 1.00 0.00 H new ATOM 0 HD2 PHE B 1 21.877 2.243 2.111 1.00 0.00 H new ATOM 0 HE1 PHE B 1 24.708 -1.845 2.004 1.00 0.00 H new ATOM 0 HE2 PHE B 1 21.853 0.766 0.110 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.269 -1.277 0.056 1.00 0.00 H new ATOM 1648 N ARG B 2 20.188 2.028 4.468 1.00 0.00 N ATOM 1649 CA ARG B 2 18.877 1.751 3.804 1.00 0.00 C ATOM 1650 C ARG B 2 18.633 2.785 2.701 1.00 0.00 C ATOM 1651 O ARG B 2 17.738 3.599 2.789 1.00 0.00 O ATOM 1652 CB ARG B 2 17.746 1.839 4.845 1.00 0.00 C ATOM 1653 CG ARG B 2 17.784 0.619 5.807 1.00 0.00 C ATOM 1654 CD ARG B 2 18.014 1.084 7.255 1.00 0.00 C ATOM 1655 NE ARG B 2 17.868 -0.077 8.194 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.764 -0.774 8.258 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.693 -0.377 7.631 1.00 0.00 N ATOM 1658 NH2 ARG B 2 16.721 -1.849 8.993 1.00 0.00 N ATOM 0 H ARG B 2 20.382 3.014 4.643 1.00 0.00 H new ATOM 0 HA ARG B 2 18.896 0.752 3.369 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.843 2.762 5.417 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.782 1.878 4.338 1.00 0.00 H new ATOM 0 HG2 ARG B 2 16.847 0.066 5.740 1.00 0.00 H new ATOM 0 HG3 ARG B 2 18.579 -0.064 5.507 1.00 0.00 H new ATOM 0 HD2 ARG B 2 19.009 1.519 7.353 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.298 1.864 7.514 1.00 0.00 H new ATOM 0 HE ARG B 2 18.650 -0.329 8.798 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.712 0.484 7.085 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.836 -0.927 7.687 1.00 0.00 H new ATOM 0 HH21 ARG B 2 17.546 -2.143 9.515 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.862 -2.396 9.046 1.00 0.00 H new ATOM 1672 N PHE B 3 19.422 2.752 1.652 1.00 0.00 N ATOM 1673 CA PHE B 3 19.246 3.722 0.522 1.00 0.00 C ATOM 1674 C PHE B 3 18.955 2.936 -0.759 1.00 0.00 C ATOM 1675 O PHE B 3 19.490 1.867 -0.975 1.00 0.00 O ATOM 1676 CB PHE B 3 20.533 4.542 0.349 1.00 0.00 C ATOM 1677 CG PHE B 3 20.574 5.642 1.390 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.936 5.342 2.716 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.246 6.964 1.033 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.971 6.364 3.684 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.281 7.984 2.001 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.644 7.684 3.326 1.00 0.00 C ATOM 0 H PHE B 3 20.187 2.089 1.529 1.00 0.00 H new ATOM 0 HA PHE B 3 18.419 4.399 0.734 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.405 3.896 0.452 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.571 4.972 -0.652 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.187 4.328 2.991 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.967 7.195 0.015 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.249 6.134 4.702 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.029 8.998 1.727 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.672 8.467 4.069 1.00 0.00 H new ATOM 1692 N ARG B 4 18.096 3.455 -1.602 1.00 0.00 N ATOM 1693 CA ARG B 4 17.742 2.741 -2.870 1.00 0.00 C ATOM 1694 C ARG B 4 17.727 3.737 -4.035 1.00 0.00 C ATOM 1695 O ARG B 4 18.761 4.213 -4.460 1.00 0.00 O ATOM 1696 CB ARG B 4 16.355 2.109 -2.711 1.00 0.00 C ATOM 1697 CG ARG B 4 16.436 0.878 -1.786 1.00 0.00 C ATOM 1698 CD ARG B 4 16.786 -0.384 -2.592 1.00 0.00 C ATOM 1699 NE ARG B 4 15.539 -0.968 -3.162 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.609 -1.867 -4.107 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.771 -2.250 -4.560 1.00 0.00 N ATOM 1702 NH2 ARG B 4 14.516 -2.383 -4.600 1.00 0.00 N ATOM 0 H ARG B 4 17.622 4.348 -1.466 1.00 0.00 H new ATOM 0 HA ARG B 4 18.479 1.965 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.659 2.839 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.967 1.816 -3.686 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.189 1.044 -1.016 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.483 0.737 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.484 -0.136 -3.392 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.282 -1.113 -1.951 1.00 0.00 H new ATOM 0 HE ARG B 4 14.629 -0.665 -2.814 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.626 -1.847 -4.176 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.824 -2.952 -5.298 1.00 0.00 H new ATOM 0 HH21 ARG B 4 13.607 -2.084 -4.247 1.00 0.00 H new ATOM 0 HH22 ARG B 4 14.571 -3.085 -5.338 1.00 0.00 H new ATOM 1716 N TYR B 5 16.561 4.055 -4.560 1.00 0.00 N ATOM 1717 CA TYR B 5 16.477 5.018 -5.707 1.00 0.00 C ATOM 1718 C TYR B 5 15.854 6.348 -5.250 1.00 0.00 C ATOM 1719 O TYR B 5 15.745 6.625 -4.072 1.00 0.00 O ATOM 1720 CB TYR B 5 15.662 4.390 -6.854 1.00 0.00 C ATOM 1721 CG TYR B 5 14.508 3.590 -6.314 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.702 2.259 -5.903 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.233 4.167 -6.248 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.617 1.509 -5.414 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.150 3.420 -5.767 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.338 2.092 -5.347 1.00 0.00 C ATOM 1727 OH TYR B 5 11.267 1.361 -4.875 1.00 0.00 O ATOM 0 H TYR B 5 15.665 3.687 -4.241 1.00 0.00 H new ATOM 0 HA TYR B 5 17.483 5.230 -6.070 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.290 5.174 -7.513 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.306 3.748 -7.455 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.684 1.813 -5.963 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.085 5.188 -6.568 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.765 0.489 -5.091 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.168 3.866 -5.719 1.00 0.00 H new ATOM 0 HH TYR B 5 11.579 0.483 -4.572 1.00 0.00 H new ATOM 1737 N VAL B 6 15.507 7.190 -6.188 1.00 0.00 N ATOM 1738 CA VAL B 6 14.956 8.541 -5.850 1.00 0.00 C ATOM 1739 C VAL B 6 13.551 8.456 -5.245 1.00 0.00 C ATOM 1740 O VAL B 6 12.744 7.628 -5.618 1.00 0.00 O ATOM 1741 CB VAL B 6 14.880 9.383 -7.133 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.828 10.870 -6.777 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.105 9.108 -8.002 1.00 0.00 C ATOM 0 H VAL B 6 15.582 6.999 -7.187 1.00 0.00 H new ATOM 0 HA VAL B 6 15.619 8.994 -5.113 1.00 0.00 H new ATOM 0 HB VAL B 6 13.978 9.114 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.774 11.461 -7.691 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.948 11.067 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.725 11.143 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.048 9.707 -8.911 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.008 9.370 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.134 8.051 -8.265 1.00 0.00 H new ATOM 1753 N CYS B 7 13.246 9.362 -4.346 1.00 0.00 N ATOM 1754 CA CYS B 7 11.883 9.413 -3.735 1.00 0.00 C ATOM 1755 C CYS B 7 11.099 10.532 -4.421 1.00 0.00 C ATOM 1756 O CYS B 7 11.214 11.687 -4.063 1.00 0.00 O ATOM 1757 CB CYS B 7 11.984 9.710 -2.233 1.00 0.00 C ATOM 1758 SG CYS B 7 13.315 8.730 -1.499 1.00 0.00 S ATOM 0 H CYS B 7 13.892 10.075 -4.007 1.00 0.00 H new ATOM 0 HA CYS B 7 11.382 8.454 -3.866 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.173 10.772 -2.075 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.038 9.479 -1.743 1.00 0.00 H new ATOM 1763 N GLU B 8 10.319 10.210 -5.417 1.00 0.00 N ATOM 1764 CA GLU B 8 9.556 11.273 -6.132 1.00 0.00 C ATOM 1765 C GLU B 8 8.262 11.600 -5.382 1.00 0.00 C ATOM 1766 O GLU B 8 7.217 11.805 -5.975 1.00 0.00 O ATOM 1767 CB GLU B 8 9.229 10.803 -7.552 1.00 0.00 C ATOM 1768 CG GLU B 8 8.775 9.342 -7.517 1.00 0.00 C ATOM 1769 CD GLU B 8 8.099 8.979 -8.840 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.702 9.213 -9.875 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.991 8.469 -8.798 1.00 0.00 O ATOM 0 H GLU B 8 10.177 9.262 -5.765 1.00 0.00 H new ATOM 0 HA GLU B 8 10.167 12.174 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.446 11.428 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.106 10.907 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.631 8.690 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.083 9.186 -6.689 1.00 0.00 H new ATOM 1778 N GLY B 9 8.330 11.693 -4.086 1.00 0.00 N ATOM 1779 CA GLY B 9 7.113 12.060 -3.312 1.00 0.00 C ATOM 1780 C GLY B 9 6.798 13.530 -3.645 1.00 0.00 C ATOM 1781 O GLY B 9 6.777 13.876 -4.810 1.00 0.00 O ATOM 0 H GLY B 9 9.170 11.532 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.276 11.415 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.283 11.934 -2.243 1.00 0.00 H new ATOM 1785 N PRO B 10 6.585 14.379 -2.661 1.00 0.00 N ATOM 1786 CA PRO B 10 6.317 15.799 -2.948 1.00 0.00 C ATOM 1787 C PRO B 10 7.573 16.431 -3.570 1.00 0.00 C ATOM 1788 O PRO B 10 7.746 17.632 -3.567 1.00 0.00 O ATOM 1789 CB PRO B 10 5.984 16.430 -1.578 1.00 0.00 C ATOM 1790 CG PRO B 10 6.186 15.328 -0.499 1.00 0.00 C ATOM 1791 CD PRO B 10 6.583 14.025 -1.228 1.00 0.00 C ATOM 0 HA PRO B 10 5.500 15.949 -3.654 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.632 17.284 -1.381 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.958 16.798 -1.564 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.962 15.622 0.208 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.271 15.182 0.075 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.564 13.675 -0.906 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.874 13.224 -1.020 1.00 0.00 H new ATOM 1799 N SER B 11 8.447 15.617 -4.101 1.00 0.00 N ATOM 1800 CA SER B 11 9.699 16.139 -4.722 1.00 0.00 C ATOM 1801 C SER B 11 9.441 16.445 -6.202 1.00 0.00 C ATOM 1802 O SER B 11 10.038 17.335 -6.774 1.00 0.00 O ATOM 1803 CB SER B 11 10.801 15.072 -4.579 1.00 0.00 C ATOM 1804 OG SER B 11 11.639 15.413 -3.483 1.00 0.00 O ATOM 0 H SER B 11 8.345 14.603 -4.131 1.00 0.00 H new ATOM 0 HA SER B 11 10.017 17.056 -4.226 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.355 14.090 -4.420 1.00 0.00 H new ATOM 0 HB3 SER B 11 11.387 15.012 -5.496 1.00 0.00 H new ATOM 0 HG SER B 11 12.342 14.737 -3.386 1.00 0.00 H new ATOM 1810 N HIS B 12 8.560 15.708 -6.828 1.00 0.00 N ATOM 1811 CA HIS B 12 8.270 15.956 -8.272 1.00 0.00 C ATOM 1812 C HIS B 12 6.867 15.444 -8.611 1.00 0.00 C ATOM 1813 O HIS B 12 6.363 14.529 -7.991 1.00 0.00 O ATOM 1814 CB HIS B 12 9.304 15.217 -9.129 1.00 0.00 C ATOM 1815 CG HIS B 12 8.997 15.430 -10.586 1.00 0.00 C ATOM 1816 ND1 HIS B 12 9.596 16.435 -11.330 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.158 14.773 -11.454 1.00 0.00 C ATOM 1818 CE1 HIS B 12 9.114 16.354 -12.583 1.00 0.00 C ATOM 1819 NE2 HIS B 12 8.234 15.358 -12.714 1.00 0.00 N ATOM 0 H HIS B 12 8.030 14.947 -6.403 1.00 0.00 H new ATOM 0 HA HIS B 12 8.322 17.026 -8.475 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.306 15.580 -8.901 1.00 0.00 H new ATOM 0 HB3 HIS B 12 9.290 14.152 -8.896 1.00 0.00 H new ATOM 0 HD2 HIS B 12 7.534 13.930 -11.197 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.404 17.015 -13.387 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.727 15.085 -13.556 1.00 0.00 H new ATOM 1827 N GLY B 13 6.235 16.029 -9.591 1.00 0.00 N ATOM 1828 CA GLY B 13 4.865 15.578 -9.970 1.00 0.00 C ATOM 1829 C GLY B 13 4.335 16.451 -11.108 1.00 0.00 C ATOM 1830 O GLY B 13 3.178 16.292 -11.460 1.00 0.00 O ATOM 1831 OXT GLY B 13 5.095 17.264 -11.608 1.00 0.00 O ATOM 0 H GLY B 13 6.607 16.800 -10.146 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.888 14.533 -10.280 1.00 0.00 H new ATOM 0 HA3 GLY B 13 4.199 15.641 -9.109 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.213 -10.384 -1.127 1.00 0.24 O HETATM 1839 O HOH A 107 9.565 -3.651 4.958 1.00 0.40 O HETATM 1842 O HOH A 108 12.452 1.321 2.167 1.00 0.32 O HETATM 1845 O HOH A 109 -8.894 -8.498 -0.096 1.00 0.26 O HETATM 1848 O HOH A 110 -7.423 -12.755 0.614 1.00 0.21 O HETATM 1851 O HOH A 111 -12.304 -2.706 0.056 1.00 0.37 O