USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 62 HIS HD1 : A 62 HIS ND1 : A 302 ZNZN :(H bumps) USER MOD Set 1.1: A 38 ASN : amide:sc= -8.23! C(o=-18!,f=-15!) USER MOD Set 1.2: A 60 HIS : no HD1:sc= -9.5! C(o=-18!,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.113 (180deg=-0.229) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.48) USER MOD Single : A 9 HIS : no HD1:sc= -3.85! C(o=-3.9!,f=-5.8!) USER MOD Single : A 11 ASN : amide:sc= -4.8! C(o=-4.8!,f=-5.6!) USER MOD Single : A 13 SER OG : rot 1:sc= 0.211! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= -1.14 (180deg=-2.83!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 76:sc= -0.104 USER MOD Single : A 27 TYR OH : rot 103:sc= 1.07 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= -0.226 (180deg=-1.34!) USER MOD Single : A 49 CYS SG : rot -59:sc= 0.508 USER MOD Single : A 51 CYS SG : rot -10:sc= -0.351 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.647) USER MOD Single : A 55 SER OG : rot -5:sc= 0.701! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= -2.14 (180deg=-2.43) USER MOD Single : A 67 HIS : no HE2:sc= -1.18! C(o=-1.2!,f=-5.7!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 73 ASN : amide:sc= -0.769 K(o=-0.77,f=-3.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= -0.0472 (180deg=-0.404) USER MOD Single : A 86 GLN : amide:sc= -2.72! K(o=-2.7!,f=-0.18) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot -120:sc= 0.613 USER MOD Single : A 94 SER OG : rot 93:sc= 1.24 USER MOD Single : A 95 ASN : amide:sc= -4.5! K(o=-4.5!,f=-2) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 100:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.100 30.568 -2.283 1.00 2.21 N ATOM 2 CA MET A 1 -12.398 30.308 -3.572 1.00 1.57 C ATOM 3 C MET A 1 -10.978 30.873 -3.500 1.00 1.31 C ATOM 4 O MET A 1 -10.139 30.577 -4.328 1.00 1.40 O ATOM 5 CB MET A 1 -13.165 30.981 -4.715 1.00 1.95 C ATOM 6 CG MET A 1 -12.354 30.882 -6.010 1.00 2.57 C ATOM 7 SD MET A 1 -13.412 31.303 -7.421 1.00 3.56 S ATOM 8 CE MET A 1 -13.745 29.616 -7.988 1.00 4.37 C ATOM 0 H1 MET A 1 -14.027 30.097 -2.292 1.00 2.21 H new ATOM 0 H2 MET A 1 -12.530 30.196 -1.496 1.00 2.21 H new ATOM 0 H3 MET A 1 -13.233 31.592 -2.160 1.00 2.21 H new ATOM 0 HA MET A 1 -12.351 29.234 -3.753 1.00 1.57 H new ATOM 0 HB2 MET A 1 -14.136 30.503 -4.845 1.00 1.95 H new ATOM 0 HB3 MET A 1 -13.355 32.027 -4.472 1.00 1.95 H new ATOM 0 HG2 MET A 1 -11.499 31.557 -5.969 1.00 2.57 H new ATOM 0 HG3 MET A 1 -11.958 29.873 -6.127 1.00 2.57 H new ATOM 0 HE1 MET A 1 -14.391 29.648 -8.865 1.00 4.37 H new ATOM 0 HE2 MET A 1 -12.806 29.127 -8.247 1.00 4.37 H new ATOM 0 HE3 MET A 1 -14.239 29.056 -7.194 1.00 4.37 H new ATOM 20 N THR A 2 -10.699 31.685 -2.517 1.00 1.16 N ATOM 21 CA THR A 2 -9.334 32.264 -2.395 1.00 1.11 C ATOM 22 C THR A 2 -8.313 31.132 -2.294 1.00 0.95 C ATOM 23 O THR A 2 -7.349 31.081 -3.032 1.00 1.00 O ATOM 24 CB THR A 2 -9.257 33.145 -1.139 1.00 1.29 C ATOM 25 OG1 THR A 2 -7.940 33.102 -0.610 1.00 1.45 O ATOM 26 CG2 THR A 2 -10.249 32.648 -0.083 1.00 1.38 C ATOM 0 H THR A 2 -11.359 31.972 -1.794 1.00 1.16 H new ATOM 0 HA THR A 2 -9.116 32.873 -3.272 1.00 1.11 H new ATOM 0 HB THR A 2 -9.511 34.170 -1.409 1.00 1.29 H new ATOM 0 HG1 THR A 2 -7.890 33.665 0.190 1.00 1.45 H new ATOM 0 HG21 THR A 2 -10.185 33.280 0.802 1.00 1.38 H new ATOM 0 HG22 THR A 2 -11.261 32.689 -0.486 1.00 1.38 H new ATOM 0 HG23 THR A 2 -10.008 31.620 0.187 1.00 1.38 H new ATOM 34 N GLU A 3 -8.521 30.225 -1.387 1.00 0.86 N ATOM 35 CA GLU A 3 -7.573 29.091 -1.231 1.00 0.73 C ATOM 36 C GLU A 3 -7.775 28.095 -2.368 1.00 0.62 C ATOM 37 O GLU A 3 -8.635 28.256 -3.210 1.00 0.66 O ATOM 38 CB GLU A 3 -7.824 28.402 0.113 1.00 0.74 C ATOM 39 CG GLU A 3 -9.179 27.683 0.090 1.00 0.75 C ATOM 40 CD GLU A 3 -9.612 27.356 1.521 1.00 1.23 C ATOM 41 OE1 GLU A 3 -8.765 26.942 2.295 1.00 1.91 O ATOM 42 OE2 GLU A 3 -10.783 27.525 1.818 1.00 1.72 O ATOM 0 H GLU A 3 -9.312 30.219 -0.742 1.00 0.86 H new ATOM 0 HA GLU A 3 -6.549 29.464 -1.261 1.00 0.73 H new ATOM 0 HB2 GLU A 3 -7.027 27.687 0.319 1.00 0.74 H new ATOM 0 HB3 GLU A 3 -7.807 29.138 0.917 1.00 0.74 H new ATOM 0 HG2 GLU A 3 -9.927 28.312 -0.392 1.00 0.75 H new ATOM 0 HG3 GLU A 3 -9.106 26.767 -0.497 1.00 0.75 H new ATOM 49 N ARG A 4 -6.973 27.070 -2.400 1.00 0.54 N ATOM 50 CA ARG A 4 -7.083 26.052 -3.477 1.00 0.47 C ATOM 51 C ARG A 4 -7.890 24.862 -2.971 1.00 0.39 C ATOM 52 O ARG A 4 -7.770 24.465 -1.828 1.00 0.38 O ATOM 53 CB ARG A 4 -5.677 25.599 -3.844 1.00 0.48 C ATOM 54 CG ARG A 4 -4.875 26.814 -4.340 1.00 0.58 C ATOM 55 CD ARG A 4 -5.342 27.252 -5.751 1.00 0.63 C ATOM 56 NE ARG A 4 -4.154 27.513 -6.629 1.00 0.81 N ATOM 57 CZ ARG A 4 -3.140 28.225 -6.208 1.00 1.10 C ATOM 58 NH1 ARG A 4 -3.179 28.811 -5.044 1.00 2.05 N ATOM 59 NH2 ARG A 4 -2.093 28.376 -6.973 1.00 1.19 N ATOM 0 H ARG A 4 -6.237 26.893 -1.717 1.00 0.54 H new ATOM 0 HA ARG A 4 -7.584 26.473 -4.349 1.00 0.47 H new ATOM 0 HB2 ARG A 4 -5.187 25.152 -2.979 1.00 0.48 H new ATOM 0 HB3 ARG A 4 -5.718 24.833 -4.618 1.00 0.48 H new ATOM 0 HG2 ARG A 4 -4.994 27.642 -3.641 1.00 0.58 H new ATOM 0 HG3 ARG A 4 -3.814 26.567 -4.365 1.00 0.58 H new ATOM 0 HD2 ARG A 4 -5.967 26.476 -6.193 1.00 0.63 H new ATOM 0 HD3 ARG A 4 -5.954 28.151 -5.677 1.00 0.63 H new ATOM 0 HE ARG A 4 -4.136 27.128 -7.573 1.00 0.81 H new ATOM 0 HH11 ARG A 4 -4.005 28.717 -4.453 1.00 2.05 H new ATOM 0 HH12 ARG A 4 -2.384 29.364 -4.724 1.00 2.05 H new ATOM 0 HH21 ARG A 4 -2.068 27.940 -7.895 1.00 1.19 H new ATOM 0 HH22 ARG A 4 -1.300 28.930 -6.649 1.00 1.19 H new ATOM 73 N PHE A 5 -8.714 24.289 -3.813 1.00 0.38 N ATOM 74 CA PHE A 5 -9.542 23.119 -3.394 1.00 0.34 C ATOM 75 C PHE A 5 -9.126 21.891 -4.205 1.00 0.33 C ATOM 76 O PHE A 5 -9.893 21.352 -4.980 1.00 0.39 O ATOM 77 CB PHE A 5 -11.020 23.448 -3.653 1.00 0.41 C ATOM 78 CG PHE A 5 -11.896 22.652 -2.719 1.00 0.42 C ATOM 79 CD1 PHE A 5 -11.982 23.020 -1.374 1.00 0.42 C ATOM 80 CD2 PHE A 5 -12.615 21.552 -3.192 1.00 0.46 C ATOM 81 CE1 PHE A 5 -12.786 22.288 -0.499 1.00 0.46 C ATOM 82 CE2 PHE A 5 -13.424 20.817 -2.317 1.00 0.49 C ATOM 83 CZ PHE A 5 -13.509 21.184 -0.971 1.00 0.50 C ATOM 0 H PHE A 5 -8.849 24.585 -4.780 1.00 0.38 H new ATOM 0 HA PHE A 5 -9.395 22.908 -2.335 1.00 0.34 H new ATOM 0 HB2 PHE A 5 -11.195 24.514 -3.509 1.00 0.41 H new ATOM 0 HB3 PHE A 5 -11.276 23.220 -4.688 1.00 0.41 H new ATOM 0 HD1 PHE A 5 -11.426 23.872 -1.011 1.00 0.42 H new ATOM 0 HD2 PHE A 5 -12.547 21.269 -4.232 1.00 0.46 H new ATOM 0 HE1 PHE A 5 -12.851 22.572 0.541 1.00 0.46 H new ATOM 0 HE2 PHE A 5 -13.982 19.967 -2.682 1.00 0.49 H new ATOM 0 HZ PHE A 5 -14.132 20.617 -0.295 1.00 0.50 H new ATOM 93 N ASP A 6 -7.916 21.439 -4.017 1.00 0.28 N ATOM 94 CA ASP A 6 -7.427 20.235 -4.753 1.00 0.29 C ATOM 95 C ASP A 6 -6.679 19.329 -3.782 1.00 0.22 C ATOM 96 O ASP A 6 -6.096 19.778 -2.816 1.00 0.18 O ATOM 97 CB ASP A 6 -6.485 20.657 -5.888 1.00 0.37 C ATOM 98 CG ASP A 6 -5.679 21.882 -5.454 1.00 0.58 C ATOM 99 OD1 ASP A 6 -5.573 22.105 -4.260 1.00 1.38 O ATOM 100 OD2 ASP A 6 -5.180 22.578 -6.324 1.00 1.19 O ATOM 0 H ASP A 6 -7.238 21.856 -3.379 1.00 0.28 H new ATOM 0 HA ASP A 6 -8.277 19.703 -5.180 1.00 0.29 H new ATOM 0 HB2 ASP A 6 -5.813 19.837 -6.141 1.00 0.37 H new ATOM 0 HB3 ASP A 6 -7.060 20.886 -6.785 1.00 0.37 H new ATOM 105 N CYS A 7 -6.689 18.055 -4.039 1.00 0.23 N ATOM 106 CA CYS A 7 -5.976 17.121 -3.141 1.00 0.18 C ATOM 107 C CYS A 7 -4.491 17.487 -3.140 1.00 0.23 C ATOM 108 O CYS A 7 -3.773 17.205 -4.069 1.00 0.31 O ATOM 109 CB CYS A 7 -6.177 15.701 -3.654 1.00 0.23 C ATOM 110 SG CYS A 7 -5.007 14.573 -2.861 1.00 0.22 S ATOM 0 H CYS A 7 -7.161 17.623 -4.833 1.00 0.23 H new ATOM 0 HA CYS A 7 -6.361 17.187 -2.123 1.00 0.18 H new ATOM 0 HB2 CYS A 7 -7.198 15.376 -3.453 1.00 0.23 H new ATOM 0 HB3 CYS A 7 -6.041 15.675 -4.735 1.00 0.23 H new ATOM 115 N HIS A 8 -4.036 18.138 -2.114 1.00 0.22 N ATOM 116 CA HIS A 8 -2.607 18.555 -2.056 1.00 0.31 C ATOM 117 C HIS A 8 -1.683 17.402 -2.448 1.00 0.35 C ATOM 118 O HIS A 8 -0.532 17.613 -2.777 1.00 0.43 O ATOM 119 CB HIS A 8 -2.283 19.007 -0.634 1.00 0.34 C ATOM 120 CG HIS A 8 -0.982 19.762 -0.620 1.00 0.45 C ATOM 121 ND1 HIS A 8 -0.861 21.037 -1.152 1.00 1.21 N ATOM 122 CD2 HIS A 8 0.263 19.437 -0.140 1.00 1.05 C ATOM 123 CE1 HIS A 8 0.415 21.429 -0.981 1.00 0.99 C ATOM 124 NE2 HIS A 8 1.143 20.491 -0.369 1.00 0.74 N ATOM 0 H HIS A 8 -4.595 18.404 -1.303 1.00 0.22 H new ATOM 0 HA HIS A 8 -2.449 19.372 -2.760 1.00 0.31 H new ATOM 0 HB2 HIS A 8 -3.085 19.640 -0.253 1.00 0.34 H new ATOM 0 HB3 HIS A 8 -2.218 18.142 0.026 1.00 0.34 H new ATOM 0 HD2 HIS A 8 0.520 18.505 0.342 1.00 1.05 H new ATOM 0 HE1 HIS A 8 0.803 22.385 -1.300 1.00 0.99 H new ATOM 0 HE2 HIS A 8 2.132 20.537 -0.122 1.00 0.74 H new ATOM 132 N HIS A 9 -2.159 16.185 -2.408 1.00 0.31 N ATOM 133 CA HIS A 9 -1.278 15.030 -2.772 1.00 0.37 C ATOM 134 C HIS A 9 -1.434 14.696 -4.268 1.00 0.42 C ATOM 135 O HIS A 9 -0.505 14.843 -5.037 1.00 0.49 O ATOM 136 CB HIS A 9 -1.645 13.819 -1.903 1.00 0.33 C ATOM 137 CG HIS A 9 -0.869 12.606 -2.345 1.00 0.40 C ATOM 138 ND1 HIS A 9 0.009 12.634 -3.418 1.00 0.50 N ATOM 139 CD2 HIS A 9 -0.828 11.319 -1.863 1.00 0.41 C ATOM 140 CE1 HIS A 9 0.535 11.402 -3.546 1.00 0.54 C ATOM 141 NE2 HIS A 9 0.059 10.562 -2.623 1.00 0.48 N ATOM 0 H HIS A 9 -3.112 15.939 -2.141 1.00 0.31 H new ATOM 0 HA HIS A 9 -0.236 15.293 -2.590 1.00 0.37 H new ATOM 0 HB2 HIS A 9 -1.431 14.035 -0.856 1.00 0.33 H new ATOM 0 HB3 HIS A 9 -2.715 13.621 -1.975 1.00 0.33 H new ATOM 0 HD2 HIS A 9 -1.398 10.951 -1.022 1.00 0.41 H new ATOM 0 HE1 HIS A 9 1.254 11.126 -4.303 1.00 0.54 H new ATOM 0 HE2 HIS A 9 0.295 9.577 -2.501 1.00 0.48 H new ATOM 149 N CYS A 10 -2.592 14.256 -4.695 1.00 0.40 N ATOM 150 CA CYS A 10 -2.777 13.929 -6.145 1.00 0.47 C ATOM 151 C CYS A 10 -3.018 15.222 -6.925 1.00 0.50 C ATOM 152 O CYS A 10 -3.090 15.227 -8.136 1.00 0.62 O ATOM 153 CB CYS A 10 -3.992 13.018 -6.324 1.00 0.46 C ATOM 154 SG CYS A 10 -3.925 11.657 -5.141 1.00 0.42 S ATOM 0 H CYS A 10 -3.413 14.109 -4.108 1.00 0.40 H new ATOM 0 HA CYS A 10 -1.884 13.424 -6.513 1.00 0.47 H new ATOM 0 HB2 CYS A 10 -4.909 13.590 -6.181 1.00 0.46 H new ATOM 0 HB3 CYS A 10 -4.016 12.626 -7.341 1.00 0.46 H new ATOM 159 N ASN A 11 -3.156 16.308 -6.223 1.00 0.44 N ATOM 160 CA ASN A 11 -3.405 17.630 -6.871 1.00 0.47 C ATOM 161 C ASN A 11 -4.630 17.553 -7.792 1.00 0.50 C ATOM 162 O ASN A 11 -4.793 18.359 -8.687 1.00 0.55 O ATOM 163 CB ASN A 11 -2.154 18.084 -7.651 1.00 0.56 C ATOM 164 CG ASN A 11 -2.103 17.437 -9.041 1.00 1.12 C ATOM 165 OD1 ASN A 11 -1.406 16.462 -9.245 1.00 1.61 O ATOM 166 ND2 ASN A 11 -2.812 17.945 -10.011 1.00 1.61 N ATOM 0 H ASN A 11 -3.106 16.339 -5.205 1.00 0.44 H new ATOM 0 HA ASN A 11 -3.612 18.369 -6.097 1.00 0.47 H new ATOM 0 HB2 ASN A 11 -2.159 19.169 -7.752 1.00 0.56 H new ATOM 0 HB3 ASN A 11 -1.257 17.820 -7.091 1.00 0.56 H new ATOM 0 HD21 ASN A 11 -2.781 17.524 -10.940 1.00 1.61 H new ATOM 0 HD22 ASN A 11 -3.397 18.763 -9.841 1.00 1.61 H new ATOM 173 N GLU A 12 -5.503 16.604 -7.567 1.00 0.48 N ATOM 174 CA GLU A 12 -6.731 16.490 -8.416 1.00 0.53 C ATOM 175 C GLU A 12 -7.903 17.151 -7.685 1.00 0.49 C ATOM 176 O GLU A 12 -8.095 16.954 -6.502 1.00 0.42 O ATOM 177 CB GLU A 12 -7.054 15.010 -8.668 1.00 0.56 C ATOM 178 CG GLU A 12 -7.542 14.349 -7.373 1.00 0.49 C ATOM 179 CD GLU A 12 -7.553 12.829 -7.546 1.00 0.52 C ATOM 180 OE1 GLU A 12 -8.320 12.352 -8.365 1.00 1.10 O ATOM 181 OE2 GLU A 12 -6.793 12.169 -6.856 1.00 1.24 O ATOM 0 H GLU A 12 -5.420 15.902 -6.832 1.00 0.48 H new ATOM 0 HA GLU A 12 -6.562 16.985 -9.372 1.00 0.53 H new ATOM 0 HB2 GLU A 12 -7.818 14.923 -9.440 1.00 0.56 H new ATOM 0 HB3 GLU A 12 -6.168 14.494 -9.037 1.00 0.56 H new ATOM 0 HG2 GLU A 12 -6.891 14.626 -6.544 1.00 0.49 H new ATOM 0 HG3 GLU A 12 -8.542 14.704 -7.126 1.00 0.49 H new ATOM 188 N SER A 13 -8.690 17.929 -8.375 1.00 0.54 N ATOM 189 CA SER A 13 -9.848 18.591 -7.709 1.00 0.52 C ATOM 190 C SER A 13 -10.619 17.556 -6.884 1.00 0.50 C ATOM 191 O SER A 13 -10.895 16.468 -7.348 1.00 0.55 O ATOM 192 CB SER A 13 -10.776 19.182 -8.772 1.00 0.61 C ATOM 193 OG SER A 13 -11.568 18.143 -9.332 1.00 1.34 O ATOM 0 H SER A 13 -8.583 18.135 -9.368 1.00 0.54 H new ATOM 0 HA SER A 13 -9.487 19.385 -7.056 1.00 0.52 H new ATOM 0 HB2 SER A 13 -11.416 19.945 -8.329 1.00 0.61 H new ATOM 0 HB3 SER A 13 -10.191 19.670 -9.552 1.00 0.61 H new ATOM 0 HG SER A 13 -11.347 17.293 -8.897 1.00 1.34 H new ATOM 199 N LEU A 14 -10.982 17.880 -5.668 1.00 0.45 N ATOM 200 CA LEU A 14 -11.743 16.893 -4.849 1.00 0.46 C ATOM 201 C LEU A 14 -12.987 16.521 -5.647 1.00 0.57 C ATOM 202 O LEU A 14 -13.641 17.362 -6.232 1.00 0.62 O ATOM 203 CB LEU A 14 -12.144 17.508 -3.510 1.00 0.43 C ATOM 204 CG LEU A 14 -10.937 17.661 -2.587 1.00 0.33 C ATOM 205 CD1 LEU A 14 -10.323 16.289 -2.276 1.00 0.30 C ATOM 206 CD2 LEU A 14 -9.899 18.574 -3.232 1.00 0.28 C ATOM 0 H LEU A 14 -10.787 18.772 -5.214 1.00 0.45 H new ATOM 0 HA LEU A 14 -11.134 16.014 -4.639 1.00 0.46 H new ATOM 0 HB2 LEU A 14 -12.602 18.483 -3.678 1.00 0.43 H new ATOM 0 HB3 LEU A 14 -12.895 16.881 -3.030 1.00 0.43 H new ATOM 0 HG LEU A 14 -11.267 18.110 -1.650 1.00 0.33 H new ATOM 0 HD11 LEU A 14 -9.464 16.416 -1.617 1.00 0.30 H new ATOM 0 HD12 LEU A 14 -11.066 15.660 -1.786 1.00 0.30 H new ATOM 0 HD13 LEU A 14 -10.002 15.815 -3.204 1.00 0.30 H new ATOM 0 HD21 LEU A 14 -9.042 18.677 -2.567 1.00 0.28 H new ATOM 0 HD22 LEU A 14 -9.574 18.143 -4.179 1.00 0.28 H new ATOM 0 HD23 LEU A 14 -10.339 19.555 -3.412 1.00 0.28 H new ATOM 218 N PHE A 15 -13.263 15.259 -5.747 1.00 0.60 N ATOM 219 CA PHE A 15 -14.404 14.815 -6.594 1.00 0.70 C ATOM 220 C PHE A 15 -15.783 14.904 -5.918 1.00 0.76 C ATOM 221 O PHE A 15 -16.231 13.984 -5.267 1.00 0.78 O ATOM 222 CB PHE A 15 -14.140 13.354 -6.975 1.00 0.72 C ATOM 223 CG PHE A 15 -13.983 12.513 -5.720 1.00 0.68 C ATOM 224 CD1 PHE A 15 -12.785 12.538 -4.979 1.00 0.59 C ATOM 225 CD2 PHE A 15 -15.044 11.706 -5.294 1.00 0.74 C ATOM 226 CE1 PHE A 15 -12.664 11.760 -3.821 1.00 0.56 C ATOM 227 CE2 PHE A 15 -14.919 10.931 -4.136 1.00 0.72 C ATOM 228 CZ PHE A 15 -13.731 10.959 -3.399 1.00 0.63 C ATOM 0 H PHE A 15 -12.750 14.511 -5.280 1.00 0.60 H new ATOM 0 HA PHE A 15 -14.452 15.488 -7.450 1.00 0.70 H new ATOM 0 HB2 PHE A 15 -14.963 12.972 -7.579 1.00 0.72 H new ATOM 0 HB3 PHE A 15 -13.239 13.285 -7.585 1.00 0.72 H new ATOM 0 HD1 PHE A 15 -11.961 13.156 -5.304 1.00 0.59 H new ATOM 0 HD2 PHE A 15 -15.963 11.681 -5.861 1.00 0.74 H new ATOM 0 HE1 PHE A 15 -11.746 11.778 -3.253 1.00 0.56 H new ATOM 0 HE2 PHE A 15 -15.741 10.310 -3.811 1.00 0.72 H new ATOM 0 HZ PHE A 15 -13.637 10.362 -2.504 1.00 0.63 H new ATOM 238 N GLY A 16 -16.516 15.945 -6.195 1.00 0.81 N ATOM 239 CA GLY A 16 -17.929 16.027 -5.718 1.00 0.89 C ATOM 240 C GLY A 16 -18.108 15.632 -4.247 1.00 0.88 C ATOM 241 O GLY A 16 -19.228 15.431 -3.822 1.00 0.95 O ATOM 0 H GLY A 16 -16.197 16.749 -6.735 1.00 0.81 H new ATOM 0 HA2 GLY A 16 -18.292 17.045 -5.858 1.00 0.89 H new ATOM 0 HA3 GLY A 16 -18.550 15.379 -6.337 1.00 0.89 H new ATOM 245 N LYS A 17 -17.062 15.436 -3.475 1.00 0.79 N ATOM 246 CA LYS A 17 -17.283 14.959 -2.059 1.00 0.80 C ATOM 247 C LYS A 17 -16.454 15.723 -1.032 1.00 0.73 C ATOM 248 O LYS A 17 -15.442 16.323 -1.336 1.00 0.66 O ATOM 249 CB LYS A 17 -16.906 13.477 -1.986 1.00 0.80 C ATOM 250 CG LYS A 17 -17.129 12.960 -0.560 1.00 0.84 C ATOM 251 CD LYS A 17 -17.252 11.433 -0.574 1.00 0.92 C ATOM 252 CE LYS A 17 -17.120 10.896 0.853 1.00 1.62 C ATOM 253 NZ LYS A 17 -17.326 9.420 0.850 1.00 2.22 N ATOM 0 H LYS A 17 -16.090 15.579 -3.748 1.00 0.79 H new ATOM 0 HA LYS A 17 -18.332 15.128 -1.817 1.00 0.80 H new ATOM 0 HB2 LYS A 17 -17.508 12.903 -2.690 1.00 0.80 H new ATOM 0 HB3 LYS A 17 -15.863 13.342 -2.274 1.00 0.80 H new ATOM 0 HG2 LYS A 17 -16.299 13.261 0.080 1.00 0.84 H new ATOM 0 HG3 LYS A 17 -18.032 13.403 -0.140 1.00 0.84 H new ATOM 0 HD2 LYS A 17 -18.213 11.139 -0.997 1.00 0.92 H new ATOM 0 HD3 LYS A 17 -16.479 11.001 -1.209 1.00 0.92 H new ATOM 0 HE2 LYS A 17 -16.135 11.136 1.253 1.00 1.62 H new ATOM 0 HE3 LYS A 17 -17.853 11.375 1.502 1.00 1.62 H new ATOM 0 HZ1 LYS A 17 -17.236 9.055 1.820 1.00 2.22 H new ATOM 0 HZ2 LYS A 17 -18.275 9.203 0.485 1.00 2.22 H new ATOM 0 HZ3 LYS A 17 -16.610 8.971 0.244 1.00 2.22 H new ATOM 267 N LYS A 18 -16.891 15.673 0.206 1.00 0.78 N ATOM 268 CA LYS A 18 -16.155 16.358 1.300 1.00 0.74 C ATOM 269 C LYS A 18 -14.697 15.925 1.246 1.00 0.64 C ATOM 270 O LYS A 18 -14.335 15.043 0.493 1.00 0.61 O ATOM 271 CB LYS A 18 -16.752 15.986 2.659 1.00 0.82 C ATOM 272 CG LYS A 18 -16.815 14.464 2.786 1.00 1.61 C ATOM 273 CD LYS A 18 -17.505 14.058 4.106 1.00 1.97 C ATOM 274 CE LYS A 18 -16.482 13.969 5.248 1.00 2.86 C ATOM 275 NZ LYS A 18 -15.972 15.330 5.576 1.00 3.55 N ATOM 0 H LYS A 18 -17.734 15.180 0.500 1.00 0.78 H new ATOM 0 HA LYS A 18 -16.234 17.438 1.173 1.00 0.74 H new ATOM 0 HB2 LYS A 18 -16.145 16.404 3.462 1.00 0.82 H new ATOM 0 HB3 LYS A 18 -17.750 16.412 2.759 1.00 0.82 H new ATOM 0 HG2 LYS A 18 -17.360 14.045 1.940 1.00 1.61 H new ATOM 0 HG3 LYS A 18 -15.808 14.049 2.753 1.00 1.61 H new ATOM 0 HD2 LYS A 18 -18.276 14.786 4.358 1.00 1.97 H new ATOM 0 HD3 LYS A 18 -18.003 13.096 3.981 1.00 1.97 H new ATOM 0 HE2 LYS A 18 -16.944 13.522 6.128 1.00 2.86 H new ATOM 0 HE3 LYS A 18 -15.655 13.321 4.958 1.00 2.86 H new ATOM 0 HZ1 LYS A 18 -15.749 15.382 6.591 1.00 3.55 H new ATOM 0 HZ2 LYS A 18 -15.113 15.521 5.022 1.00 3.55 H new ATOM 0 HZ3 LYS A 18 -16.698 16.038 5.344 1.00 3.55 H new ATOM 289 N TYR A 19 -13.847 16.551 2.011 1.00 0.59 N ATOM 290 CA TYR A 19 -12.402 16.189 1.970 1.00 0.50 C ATOM 291 C TYR A 19 -11.785 16.280 3.364 1.00 0.51 C ATOM 292 O TYR A 19 -12.314 16.913 4.255 1.00 0.58 O ATOM 293 CB TYR A 19 -11.711 17.157 1.023 1.00 0.41 C ATOM 294 CG TYR A 19 -11.783 18.555 1.591 1.00 0.43 C ATOM 295 CD1 TYR A 19 -13.002 19.247 1.604 1.00 0.50 C ATOM 296 CD2 TYR A 19 -10.635 19.157 2.109 1.00 0.38 C ATOM 297 CE1 TYR A 19 -13.068 20.539 2.136 1.00 0.53 C ATOM 298 CE2 TYR A 19 -10.700 20.451 2.640 1.00 0.41 C ATOM 299 CZ TYR A 19 -11.917 21.142 2.654 1.00 0.48 C ATOM 300 OH TYR A 19 -11.982 22.416 3.179 1.00 0.52 O ATOM 0 H TYR A 19 -14.090 17.297 2.663 1.00 0.59 H new ATOM 0 HA TYR A 19 -12.281 15.163 1.623 1.00 0.50 H new ATOM 0 HB2 TYR A 19 -10.671 16.864 0.881 1.00 0.41 H new ATOM 0 HB3 TYR A 19 -12.187 17.126 0.043 1.00 0.41 H new ATOM 0 HD1 TYR A 19 -13.891 18.782 1.203 1.00 0.50 H new ATOM 0 HD2 TYR A 19 -9.696 18.624 2.100 1.00 0.38 H new ATOM 0 HE1 TYR A 19 -14.008 21.071 2.147 1.00 0.53 H new ATOM 0 HE2 TYR A 19 -9.811 20.916 3.039 1.00 0.41 H new ATOM 0 HH TYR A 19 -11.095 22.685 3.497 1.00 0.52 H new ATOM 310 N ILE A 20 -10.668 15.623 3.553 1.00 0.46 N ATOM 311 CA ILE A 20 -9.987 15.620 4.884 1.00 0.51 C ATOM 312 C ILE A 20 -8.686 16.425 4.806 1.00 0.46 C ATOM 313 O ILE A 20 -7.964 16.359 3.831 1.00 0.38 O ATOM 314 CB ILE A 20 -9.654 14.171 5.249 1.00 0.53 C ATOM 315 CG1 ILE A 20 -10.949 13.331 5.291 1.00 0.60 C ATOM 316 CG2 ILE A 20 -8.963 14.140 6.614 1.00 0.61 C ATOM 317 CD1 ILE A 20 -10.620 11.854 5.044 1.00 0.59 C ATOM 0 H ILE A 20 -10.193 15.081 2.831 1.00 0.46 H new ATOM 0 HA ILE A 20 -10.639 16.067 5.634 1.00 0.51 H new ATOM 0 HB ILE A 20 -8.987 13.749 4.498 1.00 0.53 H new ATOM 0 HG12 ILE A 20 -11.437 13.447 6.259 1.00 0.60 H new ATOM 0 HG13 ILE A 20 -11.649 13.688 4.536 1.00 0.60 H new ATOM 0 HG21 ILE A 20 -8.724 13.110 6.878 1.00 0.61 H new ATOM 0 HG22 ILE A 20 -8.045 14.726 6.570 1.00 0.61 H new ATOM 0 HG23 ILE A 20 -9.627 14.563 7.368 1.00 0.61 H new ATOM 0 HD11 ILE A 20 -11.538 11.267 5.075 1.00 0.59 H new ATOM 0 HD12 ILE A 20 -10.152 11.744 4.066 1.00 0.59 H new ATOM 0 HD13 ILE A 20 -9.936 11.500 5.815 1.00 0.59 H new ATOM 329 N LEU A 21 -8.368 17.173 5.835 1.00 0.51 N ATOM 330 CA LEU A 21 -7.100 17.964 5.821 1.00 0.49 C ATOM 331 C LEU A 21 -6.005 17.141 6.492 1.00 0.54 C ATOM 332 O LEU A 21 -6.052 16.878 7.677 1.00 0.65 O ATOM 333 CB LEU A 21 -7.253 19.273 6.604 1.00 0.54 C ATOM 334 CG LEU A 21 -8.202 20.249 5.890 1.00 0.50 C ATOM 335 CD1 LEU A 21 -7.581 20.726 4.569 1.00 0.42 C ATOM 336 CD2 LEU A 21 -9.554 19.571 5.618 1.00 0.51 C ATOM 0 H LEU A 21 -8.930 17.269 6.681 1.00 0.51 H new ATOM 0 HA LEU A 21 -6.852 18.196 4.785 1.00 0.49 H new ATOM 0 HB2 LEU A 21 -7.634 19.058 7.603 1.00 0.54 H new ATOM 0 HB3 LEU A 21 -6.276 19.740 6.729 1.00 0.54 H new ATOM 0 HG LEU A 21 -8.362 21.112 6.536 1.00 0.50 H new ATOM 0 HD11 LEU A 21 -8.264 21.416 4.074 1.00 0.42 H new ATOM 0 HD12 LEU A 21 -6.637 21.232 4.772 1.00 0.42 H new ATOM 0 HD13 LEU A 21 -7.400 19.868 3.921 1.00 0.42 H new ATOM 0 HD21 LEU A 21 -10.217 20.272 5.112 1.00 0.51 H new ATOM 0 HD22 LEU A 21 -9.402 18.696 4.987 1.00 0.51 H new ATOM 0 HD23 LEU A 21 -10.003 19.263 6.562 1.00 0.51 H new ATOM 348 N ARG A 22 -5.017 16.744 5.743 1.00 0.48 N ATOM 349 CA ARG A 22 -3.890 15.943 6.314 1.00 0.55 C ATOM 350 C ARG A 22 -2.635 16.808 6.298 1.00 0.61 C ATOM 351 O ARG A 22 -2.388 17.533 5.355 1.00 0.56 O ATOM 352 CB ARG A 22 -3.679 14.696 5.453 1.00 0.46 C ATOM 353 CG ARG A 22 -2.846 13.665 6.225 1.00 0.49 C ATOM 354 CD ARG A 22 -3.710 12.966 7.306 1.00 0.54 C ATOM 355 NE ARG A 22 -2.984 12.947 8.618 1.00 0.77 N ATOM 356 CZ ARG A 22 -1.729 12.584 8.697 1.00 1.26 C ATOM 357 NH1 ARG A 22 -1.099 12.152 7.640 1.00 2.22 N ATOM 358 NH2 ARG A 22 -1.111 12.632 9.845 1.00 1.37 N ATOM 0 H ARG A 22 -4.937 16.941 4.745 1.00 0.48 H new ATOM 0 HA ARG A 22 -4.112 15.635 7.336 1.00 0.55 H new ATOM 0 HB2 ARG A 22 -4.642 14.266 5.178 1.00 0.46 H new ATOM 0 HB3 ARG A 22 -3.173 14.965 4.526 1.00 0.46 H new ATOM 0 HG2 ARG A 22 -2.446 12.922 5.535 1.00 0.49 H new ATOM 0 HG3 ARG A 22 -1.993 14.156 6.694 1.00 0.49 H new ATOM 0 HD2 ARG A 22 -4.660 13.488 7.416 1.00 0.54 H new ATOM 0 HD3 ARG A 22 -3.940 11.947 6.995 1.00 0.54 H new ATOM 0 HE ARG A 22 -3.479 13.223 9.466 1.00 0.77 H new ATOM 0 HH11 ARG A 22 -1.584 12.095 6.745 1.00 2.22 H new ATOM 0 HH12 ARG A 22 -0.121 11.871 7.709 1.00 2.22 H new ATOM 0 HH21 ARG A 22 -1.606 12.952 10.678 1.00 1.37 H new ATOM 0 HH22 ARG A 22 -0.133 12.350 9.910 1.00 1.37 H new ATOM 372 N GLU A 23 -1.849 16.767 7.341 1.00 0.74 N ATOM 373 CA GLU A 23 -0.630 17.623 7.372 1.00 0.82 C ATOM 374 C GLU A 23 -1.051 19.050 7.021 1.00 0.78 C ATOM 375 O GLU A 23 -0.323 19.793 6.395 1.00 0.80 O ATOM 376 CB GLU A 23 0.386 17.116 6.345 1.00 0.83 C ATOM 377 CG GLU A 23 0.932 15.760 6.797 1.00 0.91 C ATOM 378 CD GLU A 23 1.742 15.131 5.661 1.00 1.49 C ATOM 379 OE1 GLU A 23 1.499 15.487 4.520 1.00 2.35 O ATOM 380 OE2 GLU A 23 2.590 14.304 5.952 1.00 1.86 O ATOM 0 H GLU A 23 -1.997 16.184 8.165 1.00 0.74 H new ATOM 0 HA GLU A 23 -0.169 17.593 8.359 1.00 0.82 H new ATOM 0 HB2 GLU A 23 -0.085 17.023 5.366 1.00 0.83 H new ATOM 0 HB3 GLU A 23 1.201 17.832 6.240 1.00 0.83 H new ATOM 0 HG2 GLU A 23 1.560 15.885 7.679 1.00 0.91 H new ATOM 0 HG3 GLU A 23 0.111 15.102 7.080 1.00 0.91 H new ATOM 387 N GLU A 24 -2.245 19.416 7.411 1.00 0.75 N ATOM 388 CA GLU A 24 -2.767 20.776 7.103 1.00 0.72 C ATOM 389 C GLU A 24 -2.900 20.933 5.587 1.00 0.61 C ATOM 390 O GLU A 24 -2.625 21.981 5.039 1.00 0.61 O ATOM 391 CB GLU A 24 -1.818 21.847 7.656 1.00 0.81 C ATOM 392 CG GLU A 24 -1.361 21.455 9.065 1.00 1.00 C ATOM 393 CD GLU A 24 -0.768 22.676 9.771 1.00 1.62 C ATOM 394 OE1 GLU A 24 0.337 23.059 9.423 1.00 2.09 O ATOM 395 OE2 GLU A 24 -1.430 23.209 10.647 1.00 2.31 O ATOM 0 H GLU A 24 -2.886 18.821 7.936 1.00 0.75 H new ATOM 0 HA GLU A 24 -3.743 20.901 7.572 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -0.954 21.955 7.000 1.00 0.81 H new ATOM 0 HB3 GLU A 24 -2.321 22.814 7.682 1.00 0.81 H new ATOM 0 HG2 GLU A 24 -2.204 21.066 9.636 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -0.619 20.659 9.009 1.00 1.00 H new ATOM 402 N SER A 25 -3.323 19.896 4.897 1.00 0.53 N ATOM 403 CA SER A 25 -3.471 19.998 3.412 1.00 0.44 C ATOM 404 C SER A 25 -4.627 19.082 2.927 1.00 0.34 C ATOM 405 O SER A 25 -4.751 17.977 3.410 1.00 0.35 O ATOM 406 CB SER A 25 -2.156 19.563 2.755 1.00 0.48 C ATOM 407 OG SER A 25 -1.068 19.977 3.572 1.00 0.57 O ATOM 0 H SER A 25 -3.570 18.991 5.297 1.00 0.53 H new ATOM 0 HA SER A 25 -3.703 21.027 3.137 1.00 0.44 H new ATOM 0 HB2 SER A 25 -2.140 18.481 2.627 1.00 0.48 H new ATOM 0 HB3 SER A 25 -2.069 20.003 1.761 1.00 0.48 H new ATOM 0 HG SER A 25 -0.995 19.381 4.346 1.00 0.57 H new ATOM 413 N PRO A 26 -5.443 19.545 1.982 1.00 0.27 N ATOM 414 CA PRO A 26 -6.563 18.728 1.461 1.00 0.20 C ATOM 415 C PRO A 26 -6.051 17.469 0.756 1.00 0.15 C ATOM 416 O PRO A 26 -5.276 17.542 -0.164 1.00 0.13 O ATOM 417 CB PRO A 26 -7.289 19.646 0.443 1.00 0.16 C ATOM 418 CG PRO A 26 -6.413 20.914 0.261 1.00 0.20 C ATOM 419 CD PRO A 26 -5.335 20.889 1.365 1.00 0.27 C ATOM 0 HA PRO A 26 -7.217 18.390 2.265 1.00 0.20 H new ATOM 0 HB2 PRO A 26 -7.425 19.133 -0.509 1.00 0.16 H new ATOM 0 HB3 PRO A 26 -8.282 19.913 0.806 1.00 0.16 H new ATOM 0 HG2 PRO A 26 -5.952 20.924 -0.726 1.00 0.20 H new ATOM 0 HG3 PRO A 26 -7.021 21.815 0.338 1.00 0.20 H new ATOM 0 HD2 PRO A 26 -4.341 21.053 0.949 1.00 0.27 H new ATOM 0 HD3 PRO A 26 -5.506 21.675 2.101 1.00 0.27 H new ATOM 427 N TYR A 27 -6.532 16.327 1.160 1.00 0.16 N ATOM 428 CA TYR A 27 -6.148 15.042 0.501 1.00 0.15 C ATOM 429 C TYR A 27 -7.450 14.418 -0.003 1.00 0.17 C ATOM 430 O TYR A 27 -8.469 14.493 0.654 1.00 0.23 O ATOM 431 CB TYR A 27 -5.509 14.085 1.535 1.00 0.21 C ATOM 432 CG TYR A 27 -4.003 14.264 1.723 1.00 0.25 C ATOM 433 CD1 TYR A 27 -3.264 15.292 1.107 1.00 0.26 C ATOM 434 CD2 TYR A 27 -3.343 13.353 2.556 1.00 0.31 C ATOM 435 CE1 TYR A 27 -1.886 15.394 1.328 1.00 0.34 C ATOM 436 CE2 TYR A 27 -1.965 13.458 2.775 1.00 0.38 C ATOM 437 CZ TYR A 27 -1.236 14.478 2.160 1.00 0.40 C ATOM 438 OH TYR A 27 0.123 14.582 2.375 1.00 0.48 O ATOM 0 H TYR A 27 -7.188 16.226 1.934 1.00 0.16 H new ATOM 0 HA TYR A 27 -5.432 15.214 -0.302 1.00 0.15 H new ATOM 0 HB2 TYR A 27 -6.001 14.229 2.497 1.00 0.21 H new ATOM 0 HB3 TYR A 27 -5.704 13.057 1.228 1.00 0.21 H new ATOM 0 HD1 TYR A 27 -3.761 16.003 0.463 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -3.902 12.562 3.034 1.00 0.31 H new ATOM 0 HE1 TYR A 27 -1.322 16.184 0.854 1.00 0.34 H new ATOM 0 HE2 TYR A 27 -1.465 12.750 3.420 1.00 0.38 H new ATOM 0 HH TYR A 27 0.285 14.970 3.260 1.00 0.48 H new ATOM 448 N CYS A 28 -7.440 13.794 -1.144 1.00 0.19 N ATOM 449 CA CYS A 28 -8.700 13.175 -1.626 1.00 0.26 C ATOM 450 C CYS A 28 -9.047 12.038 -0.674 1.00 0.30 C ATOM 451 O CYS A 28 -8.175 11.421 -0.099 1.00 0.28 O ATOM 452 CB CYS A 28 -8.525 12.635 -3.049 1.00 0.31 C ATOM 453 SG CYS A 28 -7.224 11.380 -3.080 1.00 0.31 S ATOM 0 H CYS A 28 -6.630 13.687 -1.754 1.00 0.19 H new ATOM 0 HA CYS A 28 -9.499 13.916 -1.649 1.00 0.26 H new ATOM 0 HB2 CYS A 28 -9.463 12.207 -3.402 1.00 0.31 H new ATOM 0 HB3 CYS A 28 -8.272 13.450 -3.727 1.00 0.31 H new ATOM 458 N VAL A 29 -10.306 11.761 -0.489 1.00 0.37 N ATOM 459 CA VAL A 29 -10.705 10.664 0.437 1.00 0.42 C ATOM 460 C VAL A 29 -9.797 9.452 0.218 1.00 0.39 C ATOM 461 O VAL A 29 -9.199 8.925 1.135 1.00 0.39 O ATOM 462 CB VAL A 29 -12.145 10.274 0.131 1.00 0.51 C ATOM 463 CG1 VAL A 29 -12.680 9.406 1.260 1.00 0.57 C ATOM 464 CG2 VAL A 29 -12.993 11.539 0.003 1.00 0.54 C ATOM 0 H VAL A 29 -11.080 12.248 -0.941 1.00 0.37 H new ATOM 0 HA VAL A 29 -10.615 10.998 1.471 1.00 0.42 H new ATOM 0 HB VAL A 29 -12.187 9.716 -0.804 1.00 0.51 H new ATOM 0 HG11 VAL A 29 -13.711 9.124 1.045 1.00 0.57 H new ATOM 0 HG12 VAL A 29 -12.069 8.508 1.349 1.00 0.57 H new ATOM 0 HG13 VAL A 29 -12.644 9.963 2.196 1.00 0.57 H new ATOM 0 HG21 VAL A 29 -14.025 11.265 -0.216 1.00 0.54 H new ATOM 0 HG22 VAL A 29 -12.957 12.097 0.938 1.00 0.54 H new ATOM 0 HG23 VAL A 29 -12.603 12.158 -0.805 1.00 0.54 H new ATOM 474 N VAL A 30 -9.697 9.022 -1.003 1.00 0.40 N ATOM 475 CA VAL A 30 -8.838 7.856 -1.331 1.00 0.39 C ATOM 476 C VAL A 30 -7.463 8.001 -0.674 1.00 0.35 C ATOM 477 O VAL A 30 -7.007 7.111 0.014 1.00 0.37 O ATOM 478 CB VAL A 30 -8.665 7.779 -2.846 1.00 0.42 C ATOM 479 CG1 VAL A 30 -8.117 6.407 -3.223 1.00 0.46 C ATOM 480 CG2 VAL A 30 -10.020 7.989 -3.519 1.00 0.47 C ATOM 0 H VAL A 30 -10.181 9.435 -1.800 1.00 0.40 H new ATOM 0 HA VAL A 30 -9.312 6.949 -0.957 1.00 0.39 H new ATOM 0 HB VAL A 30 -7.970 8.551 -3.176 1.00 0.42 H new ATOM 0 HG11 VAL A 30 -7.993 6.349 -4.304 1.00 0.46 H new ATOM 0 HG12 VAL A 30 -7.153 6.255 -2.738 1.00 0.46 H new ATOM 0 HG13 VAL A 30 -8.813 5.635 -2.896 1.00 0.46 H new ATOM 0 HG21 VAL A 30 -9.901 7.935 -4.601 1.00 0.47 H new ATOM 0 HG22 VAL A 30 -10.713 7.214 -3.191 1.00 0.47 H new ATOM 0 HG23 VAL A 30 -10.414 8.968 -3.246 1.00 0.47 H new ATOM 490 N CYS A 31 -6.787 9.105 -0.888 1.00 0.32 N ATOM 491 CA CYS A 31 -5.432 9.275 -0.276 1.00 0.31 C ATOM 492 C CYS A 31 -5.483 8.851 1.195 1.00 0.31 C ATOM 493 O CYS A 31 -4.858 7.897 1.604 1.00 0.33 O ATOM 494 CB CYS A 31 -4.995 10.750 -0.360 1.00 0.28 C ATOM 495 SG CYS A 31 -3.955 11.009 -1.816 1.00 0.30 S ATOM 0 H CYS A 31 -7.112 9.889 -1.455 1.00 0.32 H new ATOM 0 HA CYS A 31 -4.717 8.656 -0.818 1.00 0.31 H new ATOM 0 HB2 CYS A 31 -5.872 11.395 -0.411 1.00 0.28 H new ATOM 0 HB3 CYS A 31 -4.448 11.027 0.541 1.00 0.28 H new ATOM 500 N PHE A 32 -6.225 9.564 1.988 1.00 0.31 N ATOM 501 CA PHE A 32 -6.319 9.221 3.436 1.00 0.34 C ATOM 502 C PHE A 32 -6.503 7.708 3.616 1.00 0.34 C ATOM 503 O PHE A 32 -5.844 7.089 4.429 1.00 0.36 O ATOM 504 CB PHE A 32 -7.509 9.966 4.050 1.00 0.36 C ATOM 505 CG PHE A 32 -7.467 9.846 5.554 1.00 0.41 C ATOM 506 CD1 PHE A 32 -7.876 8.659 6.172 1.00 0.43 C ATOM 507 CD2 PHE A 32 -7.022 10.924 6.330 1.00 0.45 C ATOM 508 CE1 PHE A 32 -7.840 8.549 7.568 1.00 0.48 C ATOM 509 CE2 PHE A 32 -6.985 10.814 7.724 1.00 0.51 C ATOM 510 CZ PHE A 32 -7.394 9.627 8.344 1.00 0.52 C ATOM 0 H PHE A 32 -6.774 10.373 1.698 1.00 0.31 H new ATOM 0 HA PHE A 32 -5.398 9.519 3.937 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -7.482 11.016 3.759 1.00 0.36 H new ATOM 0 HB3 PHE A 32 -8.443 9.554 3.669 1.00 0.36 H new ATOM 0 HD1 PHE A 32 -8.219 7.828 5.573 1.00 0.43 H new ATOM 0 HD2 PHE A 32 -6.707 11.840 5.852 1.00 0.45 H new ATOM 0 HE1 PHE A 32 -8.156 7.634 8.046 1.00 0.48 H new ATOM 0 HE2 PHE A 32 -6.641 11.645 8.322 1.00 0.51 H new ATOM 0 HZ PHE A 32 -7.366 9.542 9.420 1.00 0.52 H new ATOM 520 N GLU A 33 -7.396 7.108 2.879 1.00 0.35 N ATOM 521 CA GLU A 33 -7.620 5.646 3.030 1.00 0.36 C ATOM 522 C GLU A 33 -6.434 4.850 2.473 1.00 0.36 C ATOM 523 O GLU A 33 -5.760 4.148 3.193 1.00 0.37 O ATOM 524 CB GLU A 33 -8.888 5.268 2.277 1.00 0.40 C ATOM 525 CG GLU A 33 -10.075 6.002 2.903 1.00 0.43 C ATOM 526 CD GLU A 33 -10.506 5.292 4.189 1.00 1.08 C ATOM 527 OE1 GLU A 33 -10.957 4.162 4.096 1.00 1.52 O ATOM 528 OE2 GLU A 33 -10.377 5.890 5.244 1.00 1.91 O ATOM 0 H GLU A 33 -7.979 7.568 2.180 1.00 0.35 H new ATOM 0 HA GLU A 33 -7.721 5.408 4.089 1.00 0.36 H new ATOM 0 HB2 GLU A 33 -8.794 5.533 1.224 1.00 0.40 H new ATOM 0 HB3 GLU A 33 -9.045 4.190 2.321 1.00 0.40 H new ATOM 0 HG2 GLU A 33 -9.802 7.034 3.121 1.00 0.43 H new ATOM 0 HG3 GLU A 33 -10.906 6.034 2.199 1.00 0.43 H new ATOM 535 N THR A 34 -6.184 4.938 1.196 1.00 0.37 N ATOM 536 CA THR A 34 -5.054 4.162 0.601 1.00 0.39 C ATOM 537 C THR A 34 -3.764 4.374 1.409 1.00 0.39 C ATOM 538 O THR A 34 -3.031 3.443 1.677 1.00 0.40 O ATOM 539 CB THR A 34 -4.860 4.586 -0.869 1.00 0.42 C ATOM 540 OG1 THR A 34 -4.327 3.494 -1.604 1.00 0.46 O ATOM 541 CG2 THR A 34 -3.912 5.783 -0.985 1.00 0.42 C ATOM 0 H THR A 34 -6.711 5.512 0.538 1.00 0.37 H new ATOM 0 HA THR A 34 -5.292 3.099 0.634 1.00 0.39 H new ATOM 0 HB THR A 34 -5.830 4.879 -1.271 1.00 0.42 H new ATOM 0 HG1 THR A 34 -4.204 3.758 -2.540 1.00 0.46 H new ATOM 0 HG21 THR A 34 -3.797 6.056 -2.034 1.00 0.42 H new ATOM 0 HG22 THR A 34 -4.324 6.628 -0.433 1.00 0.42 H new ATOM 0 HG23 THR A 34 -2.939 5.518 -0.571 1.00 0.42 H new ATOM 549 N LEU A 35 -3.473 5.589 1.778 1.00 0.38 N ATOM 550 CA LEU A 35 -2.220 5.859 2.541 1.00 0.40 C ATOM 551 C LEU A 35 -2.156 5.007 3.812 1.00 0.41 C ATOM 552 O LEU A 35 -1.205 4.283 4.035 1.00 0.44 O ATOM 553 CB LEU A 35 -2.180 7.333 2.952 1.00 0.40 C ATOM 554 CG LEU A 35 -2.000 8.237 1.722 1.00 0.41 C ATOM 555 CD1 LEU A 35 -2.360 9.672 2.106 1.00 0.40 C ATOM 556 CD2 LEU A 35 -0.543 8.194 1.229 1.00 0.48 C ATOM 0 H LEU A 35 -4.048 6.409 1.585 1.00 0.38 H new ATOM 0 HA LEU A 35 -1.375 5.612 1.899 1.00 0.40 H new ATOM 0 HB2 LEU A 35 -3.102 7.596 3.471 1.00 0.40 H new ATOM 0 HB3 LEU A 35 -1.362 7.498 3.653 1.00 0.40 H new ATOM 0 HG LEU A 35 -2.650 7.884 0.922 1.00 0.41 H new ATOM 0 HD11 LEU A 35 -2.236 10.322 1.240 1.00 0.40 H new ATOM 0 HD12 LEU A 35 -3.396 9.710 2.442 1.00 0.40 H new ATOM 0 HD13 LEU A 35 -1.705 10.009 2.910 1.00 0.40 H new ATOM 0 HD21 LEU A 35 -0.434 8.840 0.358 1.00 0.48 H new ATOM 0 HD22 LEU A 35 0.120 8.540 2.022 1.00 0.48 H new ATOM 0 HD23 LEU A 35 -0.281 7.171 0.957 1.00 0.48 H new ATOM 568 N PHE A 36 -3.135 5.121 4.670 1.00 0.39 N ATOM 569 CA PHE A 36 -3.106 4.355 5.959 1.00 0.41 C ATOM 570 C PHE A 36 -3.921 3.055 5.868 1.00 0.39 C ATOM 571 O PHE A 36 -3.978 2.292 6.812 1.00 0.40 O ATOM 572 CB PHE A 36 -3.686 5.248 7.065 1.00 0.45 C ATOM 573 CG PHE A 36 -3.345 6.696 6.781 1.00 0.47 C ATOM 574 CD1 PHE A 36 -2.071 7.044 6.308 1.00 0.48 C ATOM 575 CD2 PHE A 36 -4.307 7.691 6.986 1.00 0.49 C ATOM 576 CE1 PHE A 36 -1.764 8.382 6.042 1.00 0.52 C ATOM 577 CE2 PHE A 36 -3.998 9.028 6.719 1.00 0.52 C ATOM 578 CZ PHE A 36 -2.726 9.374 6.247 1.00 0.53 C ATOM 0 H PHE A 36 -3.956 5.711 4.537 1.00 0.39 H new ATOM 0 HA PHE A 36 -2.074 4.081 6.180 1.00 0.41 H new ATOM 0 HB2 PHE A 36 -4.767 5.122 7.118 1.00 0.45 H new ATOM 0 HB3 PHE A 36 -3.283 4.952 8.034 1.00 0.45 H new ATOM 0 HD1 PHE A 36 -1.327 6.278 6.149 1.00 0.48 H new ATOM 0 HD2 PHE A 36 -5.288 7.426 7.351 1.00 0.49 H new ATOM 0 HE1 PHE A 36 -0.783 8.649 5.678 1.00 0.52 H new ATOM 0 HE2 PHE A 36 -4.742 9.795 6.877 1.00 0.52 H new ATOM 0 HZ PHE A 36 -2.489 10.407 6.042 1.00 0.53 H new ATOM 588 N ALA A 37 -4.553 2.791 4.763 1.00 0.36 N ATOM 589 CA ALA A 37 -5.354 1.536 4.661 1.00 0.34 C ATOM 590 C ALA A 37 -4.430 0.321 4.797 1.00 0.29 C ATOM 591 O ALA A 37 -3.239 0.402 4.574 1.00 0.31 O ATOM 592 CB ALA A 37 -6.072 1.487 3.311 1.00 0.38 C ATOM 0 H ALA A 37 -4.553 3.381 3.931 1.00 0.36 H new ATOM 0 HA ALA A 37 -6.094 1.518 5.461 1.00 0.34 H new ATOM 0 HB1 ALA A 37 -6.655 0.569 3.242 1.00 0.38 H new ATOM 0 HB2 ALA A 37 -6.736 2.346 3.221 1.00 0.38 H new ATOM 0 HB3 ALA A 37 -5.337 1.511 2.507 1.00 0.38 H new ATOM 598 N ASN A 38 -4.980 -0.807 5.164 1.00 0.26 N ATOM 599 CA ASN A 38 -4.158 -2.041 5.323 1.00 0.24 C ATOM 600 C ASN A 38 -4.108 -2.799 3.994 1.00 0.23 C ATOM 601 O ASN A 38 -4.985 -2.672 3.170 1.00 0.24 O ATOM 602 CB ASN A 38 -4.795 -2.930 6.387 1.00 0.23 C ATOM 603 CG ASN A 38 -4.520 -2.350 7.775 1.00 0.36 C ATOM 604 OD1 ASN A 38 -3.381 -2.144 8.145 1.00 1.10 O ATOM 605 ND2 ASN A 38 -5.522 -2.077 8.564 1.00 1.22 N ATOM 0 H ASN A 38 -5.973 -0.926 5.362 1.00 0.26 H new ATOM 0 HA ASN A 38 -3.146 -1.770 5.623 1.00 0.24 H new ATOM 0 HB2 ASN A 38 -5.870 -3.002 6.219 1.00 0.23 H new ATOM 0 HB3 ASN A 38 -4.393 -3.941 6.318 1.00 0.23 H new ATOM 0 HD21 ASN A 38 -5.350 -1.690 9.492 1.00 1.22 H new ATOM 0 HD22 ASN A 38 -6.478 -2.250 8.253 1.00 1.22 H new ATOM 612 N THR A 39 -3.085 -3.584 3.775 1.00 0.28 N ATOM 613 CA THR A 39 -2.983 -4.346 2.492 1.00 0.33 C ATOM 614 C THR A 39 -3.621 -5.731 2.644 1.00 0.29 C ATOM 615 O THR A 39 -3.427 -6.410 3.633 1.00 0.28 O ATOM 616 CB THR A 39 -1.506 -4.520 2.121 1.00 0.43 C ATOM 617 OG1 THR A 39 -0.816 -3.298 2.345 1.00 0.48 O ATOM 618 CG2 THR A 39 -1.391 -4.910 0.646 1.00 0.50 C ATOM 0 H THR A 39 -2.315 -3.731 4.428 1.00 0.28 H new ATOM 0 HA THR A 39 -3.506 -3.792 1.712 1.00 0.33 H new ATOM 0 HB THR A 39 -1.066 -5.304 2.737 1.00 0.43 H new ATOM 0 HG1 THR A 39 0.129 -3.408 2.110 1.00 0.48 H new ATOM 0 HG21 THR A 39 -0.340 -5.033 0.383 1.00 0.50 H new ATOM 0 HG22 THR A 39 -1.920 -5.847 0.475 1.00 0.50 H new ATOM 0 HG23 THR A 39 -1.830 -4.127 0.027 1.00 0.50 H new ATOM 626 N CYS A 40 -4.362 -6.164 1.657 1.00 0.31 N ATOM 627 CA CYS A 40 -4.994 -7.517 1.721 1.00 0.32 C ATOM 628 C CYS A 40 -4.031 -8.523 1.101 1.00 0.42 C ATOM 629 O CYS A 40 -3.899 -8.626 -0.101 1.00 0.51 O ATOM 630 CB CYS A 40 -6.316 -7.506 0.949 1.00 0.36 C ATOM 631 SG CYS A 40 -6.847 -9.200 0.602 1.00 0.45 S ATOM 0 H CYS A 40 -4.558 -5.637 0.806 1.00 0.31 H new ATOM 0 HA CYS A 40 -5.201 -7.791 2.756 1.00 0.32 H new ATOM 0 HB2 CYS A 40 -7.080 -6.989 1.529 1.00 0.36 H new ATOM 0 HB3 CYS A 40 -6.197 -6.956 0.016 1.00 0.36 H new ATOM 636 N GLU A 41 -3.347 -9.252 1.925 1.00 0.43 N ATOM 637 CA GLU A 41 -2.367 -10.252 1.427 1.00 0.54 C ATOM 638 C GLU A 41 -2.948 -11.044 0.251 1.00 0.61 C ATOM 639 O GLU A 41 -2.225 -11.656 -0.510 1.00 0.71 O ATOM 640 CB GLU A 41 -2.019 -11.197 2.572 1.00 0.56 C ATOM 641 CG GLU A 41 -1.505 -10.376 3.759 1.00 0.53 C ATOM 642 CD GLU A 41 -1.189 -11.308 4.930 1.00 0.57 C ATOM 643 OE1 GLU A 41 -0.931 -12.473 4.680 1.00 1.29 O ATOM 644 OE2 GLU A 41 -1.211 -10.840 6.056 1.00 1.15 O ATOM 0 H GLU A 41 -3.424 -9.199 2.941 1.00 0.43 H new ATOM 0 HA GLU A 41 -1.472 -9.740 1.075 1.00 0.54 H new ATOM 0 HB2 GLU A 41 -2.897 -11.773 2.865 1.00 0.56 H new ATOM 0 HB3 GLU A 41 -1.261 -11.912 2.253 1.00 0.56 H new ATOM 0 HG2 GLU A 41 -0.612 -9.822 3.471 1.00 0.53 H new ATOM 0 HG3 GLU A 41 -2.253 -9.642 4.057 1.00 0.53 H new ATOM 651 N GLU A 42 -4.245 -11.040 0.087 1.00 0.57 N ATOM 652 CA GLU A 42 -4.856 -11.798 -1.051 1.00 0.66 C ATOM 653 C GLU A 42 -4.931 -10.892 -2.287 1.00 0.71 C ATOM 654 O GLU A 42 -4.349 -11.180 -3.314 1.00 0.80 O ATOM 655 CB GLU A 42 -6.267 -12.268 -0.662 1.00 0.65 C ATOM 656 CG GLU A 42 -6.681 -13.456 -1.534 1.00 0.76 C ATOM 657 CD GLU A 42 -6.734 -13.023 -3.000 1.00 0.84 C ATOM 658 OE1 GLU A 42 -7.744 -12.465 -3.397 1.00 1.38 O ATOM 659 OE2 GLU A 42 -5.763 -13.256 -3.701 1.00 1.34 O ATOM 0 H GLU A 42 -4.907 -10.548 0.687 1.00 0.57 H new ATOM 0 HA GLU A 42 -4.241 -12.668 -1.279 1.00 0.66 H new ATOM 0 HB2 GLU A 42 -6.287 -12.554 0.390 1.00 0.65 H new ATOM 0 HB3 GLU A 42 -6.978 -11.451 -0.784 1.00 0.65 H new ATOM 0 HG2 GLU A 42 -5.972 -14.274 -1.412 1.00 0.76 H new ATOM 0 HG3 GLU A 42 -7.656 -13.829 -1.219 1.00 0.76 H new ATOM 666 N CYS A 43 -5.642 -9.800 -2.195 1.00 0.66 N ATOM 667 CA CYS A 43 -5.752 -8.879 -3.364 1.00 0.72 C ATOM 668 C CYS A 43 -4.450 -8.096 -3.524 1.00 0.72 C ATOM 669 O CYS A 43 -3.959 -7.901 -4.618 1.00 0.80 O ATOM 670 CB CYS A 43 -6.896 -7.888 -3.132 1.00 0.69 C ATOM 671 SG CYS A 43 -8.434 -8.790 -2.836 1.00 0.71 S ATOM 0 H CYS A 43 -6.151 -9.506 -1.362 1.00 0.66 H new ATOM 0 HA CYS A 43 -5.945 -9.466 -4.262 1.00 0.72 H new ATOM 0 HB2 CYS A 43 -6.668 -7.248 -2.279 1.00 0.69 H new ATOM 0 HB3 CYS A 43 -7.007 -7.236 -3.999 1.00 0.69 H new ATOM 676 N GLY A 44 -3.894 -7.633 -2.437 1.00 0.64 N ATOM 677 CA GLY A 44 -2.628 -6.846 -2.510 1.00 0.66 C ATOM 678 C GLY A 44 -2.976 -5.359 -2.567 1.00 0.64 C ATOM 679 O GLY A 44 -2.118 -4.504 -2.475 1.00 0.66 O ATOM 0 H GLY A 44 -4.264 -7.767 -1.496 1.00 0.64 H new ATOM 0 HA2 GLY A 44 -2.003 -7.055 -1.641 1.00 0.66 H new ATOM 0 HA3 GLY A 44 -2.055 -7.134 -3.391 1.00 0.66 H new ATOM 683 N LYS A 45 -4.239 -5.045 -2.717 1.00 0.61 N ATOM 684 CA LYS A 45 -4.663 -3.614 -2.780 1.00 0.60 C ATOM 685 C LYS A 45 -5.055 -3.150 -1.361 1.00 0.50 C ATOM 686 O LYS A 45 -5.513 -3.956 -0.576 1.00 0.45 O ATOM 687 CB LYS A 45 -5.877 -3.500 -3.707 1.00 0.67 C ATOM 688 CG LYS A 45 -5.442 -3.784 -5.150 1.00 1.32 C ATOM 689 CD LYS A 45 -6.670 -3.831 -6.077 1.00 1.79 C ATOM 690 CE LYS A 45 -7.078 -2.410 -6.483 1.00 2.31 C ATOM 691 NZ LYS A 45 -5.935 -1.740 -7.165 1.00 2.83 N ATOM 0 H LYS A 45 -4.997 -5.722 -2.799 1.00 0.61 H new ATOM 0 HA LYS A 45 -3.851 -2.993 -3.159 1.00 0.60 H new ATOM 0 HB2 LYS A 45 -6.649 -4.206 -3.402 1.00 0.67 H new ATOM 0 HB3 LYS A 45 -6.311 -2.503 -3.636 1.00 0.67 H new ATOM 0 HG2 LYS A 45 -4.752 -3.011 -5.488 1.00 1.32 H new ATOM 0 HG3 LYS A 45 -4.906 -4.732 -5.196 1.00 1.32 H new ATOM 0 HD2 LYS A 45 -6.442 -4.420 -6.965 1.00 1.79 H new ATOM 0 HD3 LYS A 45 -7.499 -4.325 -5.570 1.00 1.79 H new ATOM 0 HE2 LYS A 45 -7.942 -2.444 -7.147 1.00 2.31 H new ATOM 0 HE3 LYS A 45 -7.375 -1.840 -5.603 1.00 2.31 H new ATOM 0 HZ1 LYS A 45 -6.298 -1.041 -7.845 1.00 2.83 H new ATOM 0 HZ2 LYS A 45 -5.342 -1.260 -6.458 1.00 2.83 H new ATOM 0 HZ3 LYS A 45 -5.367 -2.450 -7.669 1.00 2.83 H new ATOM 705 N PRO A 46 -4.882 -1.874 -1.051 1.00 0.48 N ATOM 706 CA PRO A 46 -5.242 -1.362 0.283 1.00 0.39 C ATOM 707 C PRO A 46 -6.717 -1.668 0.597 1.00 0.37 C ATOM 708 O PRO A 46 -7.573 -1.601 -0.263 1.00 0.44 O ATOM 709 CB PRO A 46 -4.990 0.164 0.206 1.00 0.43 C ATOM 710 CG PRO A 46 -4.405 0.476 -1.198 1.00 0.52 C ATOM 711 CD PRO A 46 -4.327 -0.856 -1.971 1.00 0.55 C ATOM 0 HA PRO A 46 -4.658 -1.827 1.078 1.00 0.39 H new ATOM 0 HB2 PRO A 46 -5.918 0.713 0.364 1.00 0.43 H new ATOM 0 HB3 PRO A 46 -4.297 0.477 0.987 1.00 0.43 H new ATOM 0 HG2 PRO A 46 -5.036 1.190 -1.727 1.00 0.52 H new ATOM 0 HG3 PRO A 46 -3.417 0.928 -1.110 1.00 0.52 H new ATOM 0 HD2 PRO A 46 -4.901 -0.808 -2.897 1.00 0.55 H new ATOM 0 HD3 PRO A 46 -3.299 -1.092 -2.245 1.00 0.55 H new ATOM 719 N ILE A 47 -7.018 -1.985 1.832 1.00 0.30 N ATOM 720 CA ILE A 47 -8.432 -2.275 2.222 1.00 0.32 C ATOM 721 C ILE A 47 -9.030 -1.010 2.839 1.00 0.35 C ATOM 722 O ILE A 47 -8.725 -0.650 3.958 1.00 0.33 O ATOM 723 CB ILE A 47 -8.462 -3.413 3.249 1.00 0.27 C ATOM 724 CG1 ILE A 47 -7.610 -4.581 2.735 1.00 0.24 C ATOM 725 CG2 ILE A 47 -9.908 -3.882 3.452 1.00 0.37 C ATOM 726 CD1 ILE A 47 -7.622 -5.742 3.743 1.00 0.22 C ATOM 0 H ILE A 47 -6.340 -2.056 2.591 1.00 0.30 H new ATOM 0 HA ILE A 47 -9.008 -2.575 1.347 1.00 0.32 H new ATOM 0 HB ILE A 47 -8.061 -3.059 4.199 1.00 0.27 H new ATOM 0 HG12 ILE A 47 -7.993 -4.923 1.774 1.00 0.24 H new ATOM 0 HG13 ILE A 47 -6.586 -4.246 2.569 1.00 0.24 H new ATOM 0 HG21 ILE A 47 -9.929 -4.691 4.182 1.00 0.37 H new ATOM 0 HG22 ILE A 47 -10.513 -3.051 3.814 1.00 0.37 H new ATOM 0 HG23 ILE A 47 -10.311 -4.238 2.504 1.00 0.37 H new ATOM 0 HD11 ILE A 47 -7.013 -6.561 3.362 1.00 0.22 H new ATOM 0 HD12 ILE A 47 -7.216 -5.401 4.696 1.00 0.22 H new ATOM 0 HD13 ILE A 47 -8.646 -6.088 3.887 1.00 0.22 H new ATOM 738 N GLY A 48 -9.866 -0.324 2.112 1.00 0.42 N ATOM 739 CA GLY A 48 -10.466 0.929 2.652 1.00 0.47 C ATOM 740 C GLY A 48 -11.384 0.607 3.822 1.00 0.58 C ATOM 741 O GLY A 48 -11.952 -0.463 3.910 1.00 0.62 O ATOM 0 H GLY A 48 -10.160 -0.576 1.168 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -9.678 1.609 2.975 1.00 0.47 H new ATOM 0 HA3 GLY A 48 -11.027 1.440 1.869 1.00 0.47 H new ATOM 745 N CYS A 49 -11.543 1.537 4.716 1.00 0.73 N ATOM 746 CA CYS A 49 -12.436 1.306 5.877 1.00 0.92 C ATOM 747 C CYS A 49 -13.880 1.271 5.379 1.00 1.05 C ATOM 748 O CYS A 49 -14.780 0.828 6.064 1.00 1.19 O ATOM 749 CB CYS A 49 -12.253 2.445 6.879 1.00 1.09 C ATOM 750 SG CYS A 49 -13.048 3.949 6.254 1.00 2.27 S ATOM 0 H CYS A 49 -11.091 2.451 4.692 1.00 0.73 H new ATOM 0 HA CYS A 49 -12.196 0.361 6.365 1.00 0.92 H new ATOM 0 HB2 CYS A 49 -12.684 2.168 7.841 1.00 1.09 H new ATOM 0 HB3 CYS A 49 -11.191 2.627 7.046 1.00 1.09 H new ATOM 0 HG CYS A 49 -12.520 4.276 5.112 1.00 2.27 H new ATOM 756 N ASP A 50 -14.096 1.739 4.181 1.00 1.06 N ATOM 757 CA ASP A 50 -15.469 1.744 3.609 1.00 1.26 C ATOM 758 C ASP A 50 -15.872 0.314 3.244 1.00 1.20 C ATOM 759 O ASP A 50 -16.796 0.093 2.487 1.00 1.40 O ATOM 760 CB ASP A 50 -15.484 2.615 2.350 1.00 1.37 C ATOM 761 CG ASP A 50 -14.610 1.973 1.271 1.00 2.11 C ATOM 762 OD1 ASP A 50 -13.400 1.995 1.425 1.00 2.78 O ATOM 763 OD2 ASP A 50 -15.166 1.469 0.309 1.00 2.74 O ATOM 0 H ASP A 50 -13.374 2.121 3.570 1.00 1.06 H new ATOM 0 HA ASP A 50 -16.172 2.143 4.340 1.00 1.26 H new ATOM 0 HB2 ASP A 50 -16.505 2.728 1.986 1.00 1.37 H new ATOM 0 HB3 ASP A 50 -15.117 3.614 2.583 1.00 1.37 H new ATOM 768 N CYS A 51 -15.182 -0.662 3.775 1.00 1.02 N ATOM 769 CA CYS A 51 -15.519 -2.082 3.458 1.00 1.00 C ATOM 770 C CYS A 51 -15.250 -2.955 4.684 1.00 0.94 C ATOM 771 O CYS A 51 -14.844 -2.477 5.725 1.00 0.94 O ATOM 772 CB CYS A 51 -14.650 -2.562 2.294 1.00 0.95 C ATOM 773 SG CYS A 51 -14.915 -1.488 0.861 1.00 1.39 S ATOM 0 H CYS A 51 -14.398 -0.537 4.416 1.00 1.02 H new ATOM 0 HA CYS A 51 -16.571 -2.154 3.183 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -13.599 -2.550 2.582 1.00 0.95 H new ATOM 0 HB3 CYS A 51 -14.899 -3.592 2.041 1.00 0.95 H new ATOM 0 HG CYS A 51 -15.928 -0.705 1.087 1.00 1.39 H new ATOM 779 N LYS A 52 -15.477 -4.235 4.568 1.00 0.96 N ATOM 780 CA LYS A 52 -15.241 -5.149 5.722 1.00 0.96 C ATOM 781 C LYS A 52 -13.757 -5.535 5.771 1.00 0.81 C ATOM 782 O LYS A 52 -13.279 -6.307 4.963 1.00 0.81 O ATOM 783 CB LYS A 52 -16.112 -6.409 5.564 1.00 1.11 C ATOM 784 CG LYS A 52 -16.339 -6.713 4.070 1.00 1.64 C ATOM 785 CD LYS A 52 -17.603 -5.999 3.565 1.00 2.23 C ATOM 786 CE LYS A 52 -17.564 -5.895 2.037 1.00 2.75 C ATOM 787 NZ LYS A 52 -17.118 -7.196 1.462 1.00 3.01 N ATOM 0 H LYS A 52 -15.817 -4.689 3.720 1.00 0.96 H new ATOM 0 HA LYS A 52 -15.509 -4.646 6.651 1.00 0.96 H new ATOM 0 HB2 LYS A 52 -15.628 -7.258 6.046 1.00 1.11 H new ATOM 0 HB3 LYS A 52 -17.070 -6.263 6.063 1.00 1.11 H new ATOM 0 HG2 LYS A 52 -15.474 -6.389 3.491 1.00 1.64 H new ATOM 0 HG3 LYS A 52 -16.437 -7.788 3.922 1.00 1.64 H new ATOM 0 HD2 LYS A 52 -18.491 -6.547 3.879 1.00 2.23 H new ATOM 0 HD3 LYS A 52 -17.670 -5.004 4.005 1.00 2.23 H new ATOM 0 HE2 LYS A 52 -18.551 -5.635 1.654 1.00 2.75 H new ATOM 0 HE3 LYS A 52 -16.884 -5.099 1.733 1.00 2.75 H new ATOM 0 HZ1 LYS A 52 -17.435 -7.266 0.474 1.00 3.01 H new ATOM 0 HZ2 LYS A 52 -16.080 -7.254 1.498 1.00 3.01 H new ATOM 0 HZ3 LYS A 52 -17.527 -7.977 2.013 1.00 3.01 H new ATOM 801 N ASP A 53 -13.026 -5.004 6.718 1.00 0.73 N ATOM 802 CA ASP A 53 -11.571 -5.336 6.830 1.00 0.59 C ATOM 803 C ASP A 53 -11.376 -6.434 7.879 1.00 0.61 C ATOM 804 O ASP A 53 -11.417 -6.184 9.068 1.00 0.75 O ATOM 805 CB ASP A 53 -10.799 -4.085 7.255 1.00 0.59 C ATOM 806 CG ASP A 53 -11.436 -3.495 8.514 1.00 0.72 C ATOM 807 OD1 ASP A 53 -12.654 -3.447 8.571 1.00 1.34 O ATOM 808 OD2 ASP A 53 -10.696 -3.102 9.400 1.00 1.24 O ATOM 0 H ASP A 53 -13.374 -4.353 7.421 1.00 0.73 H new ATOM 0 HA ASP A 53 -11.202 -5.686 5.866 1.00 0.59 H new ATOM 0 HB2 ASP A 53 -9.756 -4.336 7.446 1.00 0.59 H new ATOM 0 HB3 ASP A 53 -10.808 -3.349 6.451 1.00 0.59 H new ATOM 813 N LEU A 54 -11.164 -7.648 7.450 1.00 0.53 N ATOM 814 CA LEU A 54 -10.967 -8.761 8.422 1.00 0.57 C ATOM 815 C LEU A 54 -9.565 -8.629 9.042 1.00 0.53 C ATOM 816 O LEU A 54 -8.576 -8.610 8.340 1.00 0.45 O ATOM 817 CB LEU A 54 -11.088 -10.111 7.664 1.00 0.57 C ATOM 818 CG LEU A 54 -11.675 -11.296 8.523 1.00 0.67 C ATOM 819 CD1 LEU A 54 -10.858 -12.571 8.282 1.00 0.65 C ATOM 820 CD2 LEU A 54 -11.690 -11.016 10.040 1.00 0.74 C ATOM 0 H LEU A 54 -11.119 -7.918 6.467 1.00 0.53 H new ATOM 0 HA LEU A 54 -11.718 -8.721 9.211 1.00 0.57 H new ATOM 0 HB2 LEU A 54 -11.721 -9.966 6.789 1.00 0.57 H new ATOM 0 HB3 LEU A 54 -10.102 -10.398 7.300 1.00 0.57 H new ATOM 0 HG LEU A 54 -12.709 -11.413 8.198 1.00 0.67 H new ATOM 0 HD11 LEU A 54 -11.269 -13.385 8.879 1.00 0.65 H new ATOM 0 HD12 LEU A 54 -10.902 -12.837 7.226 1.00 0.65 H new ATOM 0 HD13 LEU A 54 -9.821 -12.398 8.570 1.00 0.65 H new ATOM 0 HD21 LEU A 54 -12.107 -11.876 10.565 1.00 0.74 H new ATOM 0 HD22 LEU A 54 -10.672 -10.838 10.387 1.00 0.74 H new ATOM 0 HD23 LEU A 54 -12.301 -10.136 10.242 1.00 0.74 H new ATOM 832 N SER A 55 -9.477 -8.544 10.347 1.00 0.61 N ATOM 833 CA SER A 55 -8.142 -8.419 11.022 1.00 0.62 C ATOM 834 C SER A 55 -7.839 -9.704 11.799 1.00 0.69 C ATOM 835 O SER A 55 -8.628 -10.150 12.608 1.00 0.77 O ATOM 836 CB SER A 55 -8.179 -7.240 11.994 1.00 0.69 C ATOM 837 OG SER A 55 -8.875 -7.625 13.173 1.00 1.43 O ATOM 0 H SER A 55 -10.277 -8.556 10.980 1.00 0.61 H new ATOM 0 HA SER A 55 -7.368 -8.256 10.272 1.00 0.62 H new ATOM 0 HB2 SER A 55 -7.165 -6.927 12.242 1.00 0.69 H new ATOM 0 HB3 SER A 55 -8.672 -6.386 11.529 1.00 0.69 H new ATOM 0 HG SER A 55 -9.239 -8.528 13.058 1.00 1.43 H new ATOM 843 N TYR A 56 -6.699 -10.304 11.563 1.00 0.68 N ATOM 844 CA TYR A 56 -6.346 -11.561 12.292 1.00 0.77 C ATOM 845 C TYR A 56 -4.817 -11.668 12.410 1.00 0.81 C ATOM 846 O TYR A 56 -4.095 -11.388 11.480 1.00 0.75 O ATOM 847 CB TYR A 56 -6.910 -12.768 11.515 1.00 0.72 C ATOM 848 CG TYR A 56 -7.235 -13.894 12.474 1.00 0.81 C ATOM 849 CD1 TYR A 56 -6.207 -14.689 12.978 1.00 0.86 C ATOM 850 CD2 TYR A 56 -8.559 -14.134 12.858 1.00 0.87 C ATOM 851 CE1 TYR A 56 -6.494 -15.729 13.869 1.00 0.95 C ATOM 852 CE2 TYR A 56 -8.849 -15.175 13.749 1.00 0.97 C ATOM 853 CZ TYR A 56 -7.816 -15.972 14.255 1.00 1.00 C ATOM 854 OH TYR A 56 -8.103 -16.997 15.134 1.00 1.10 O ATOM 0 H TYR A 56 -5.998 -9.978 10.898 1.00 0.68 H new ATOM 0 HA TYR A 56 -6.776 -11.548 13.293 1.00 0.77 H new ATOM 0 HB2 TYR A 56 -7.807 -12.473 10.970 1.00 0.72 H new ATOM 0 HB3 TYR A 56 -6.184 -13.107 10.776 1.00 0.72 H new ATOM 0 HD1 TYR A 56 -5.186 -14.502 12.680 1.00 0.86 H new ATOM 0 HD2 TYR A 56 -9.356 -13.518 12.468 1.00 0.87 H new ATOM 0 HE1 TYR A 56 -5.696 -16.343 14.258 1.00 0.95 H new ATOM 0 HE2 TYR A 56 -9.870 -15.363 14.046 1.00 0.97 H new ATOM 0 HH TYR A 56 -9.069 -17.027 15.297 1.00 1.10 H new ATOM 864 N LYS A 57 -4.324 -12.066 13.553 1.00 0.96 N ATOM 865 CA LYS A 57 -2.847 -12.186 13.738 1.00 1.04 C ATOM 866 C LYS A 57 -2.156 -10.912 13.228 1.00 0.97 C ATOM 867 O LYS A 57 -1.236 -10.960 12.442 1.00 0.95 O ATOM 868 CB LYS A 57 -2.333 -13.410 12.972 1.00 1.05 C ATOM 869 CG LYS A 57 -0.893 -13.737 13.407 1.00 1.18 C ATOM 870 CD LYS A 57 -0.411 -15.044 12.732 1.00 1.29 C ATOM 871 CE LYS A 57 -0.673 -16.253 13.644 1.00 1.60 C ATOM 872 NZ LYS A 57 -1.992 -16.103 14.320 1.00 2.23 N ATOM 0 H LYS A 57 -4.882 -12.314 14.370 1.00 0.96 H new ATOM 0 HA LYS A 57 -2.621 -12.309 14.797 1.00 1.04 H new ATOM 0 HB2 LYS A 57 -2.982 -14.266 13.160 1.00 1.05 H new ATOM 0 HB3 LYS A 57 -2.363 -13.217 11.900 1.00 1.05 H new ATOM 0 HG2 LYS A 57 -0.229 -12.915 13.139 1.00 1.18 H new ATOM 0 HG3 LYS A 57 -0.848 -13.842 14.491 1.00 1.18 H new ATOM 0 HD2 LYS A 57 -0.927 -15.180 11.781 1.00 1.29 H new ATOM 0 HD3 LYS A 57 0.654 -14.973 12.510 1.00 1.29 H new ATOM 0 HE2 LYS A 57 -0.658 -17.172 13.058 1.00 1.60 H new ATOM 0 HE3 LYS A 57 0.119 -16.337 14.388 1.00 1.60 H new ATOM 0 HZ1 LYS A 57 -2.178 -16.940 14.909 1.00 2.23 H new ATOM 0 HZ2 LYS A 57 -1.980 -15.254 14.920 1.00 2.23 H new ATOM 0 HZ3 LYS A 57 -2.741 -16.011 13.604 1.00 2.23 H new ATOM 886 N ASP A 58 -2.592 -9.772 13.688 1.00 0.97 N ATOM 887 CA ASP A 58 -1.965 -8.484 13.258 1.00 0.93 C ATOM 888 C ASP A 58 -1.958 -8.356 11.728 1.00 0.79 C ATOM 889 O ASP A 58 -1.297 -7.496 11.182 1.00 0.77 O ATOM 890 CB ASP A 58 -0.527 -8.427 13.775 1.00 1.04 C ATOM 891 CG ASP A 58 0.063 -7.045 13.491 1.00 1.04 C ATOM 892 OD1 ASP A 58 -0.702 -6.096 13.441 1.00 1.35 O ATOM 893 OD2 ASP A 58 1.269 -6.958 13.329 1.00 1.60 O ATOM 0 H ASP A 58 -3.362 -9.674 14.349 1.00 0.97 H new ATOM 0 HA ASP A 58 -2.549 -7.661 13.670 1.00 0.93 H new ATOM 0 HB2 ASP A 58 -0.506 -8.630 14.846 1.00 1.04 H new ATOM 0 HB3 ASP A 58 0.075 -9.197 13.293 1.00 1.04 H new ATOM 898 N ARG A 59 -2.697 -9.187 11.035 1.00 0.71 N ATOM 899 CA ARG A 59 -2.752 -9.104 9.539 1.00 0.59 C ATOM 900 C ARG A 59 -4.144 -8.640 9.121 1.00 0.48 C ATOM 901 O ARG A 59 -5.062 -8.626 9.917 1.00 0.53 O ATOM 902 CB ARG A 59 -2.476 -10.480 8.933 1.00 0.63 C ATOM 903 CG ARG A 59 -1.016 -10.855 9.176 1.00 0.76 C ATOM 904 CD ARG A 59 -0.827 -12.347 8.911 1.00 0.83 C ATOM 905 NE ARG A 59 0.583 -12.731 9.202 1.00 0.99 N ATOM 906 CZ ARG A 59 0.903 -13.989 9.336 1.00 1.53 C ATOM 907 NH1 ARG A 59 -0.012 -14.912 9.215 1.00 2.31 N ATOM 908 NH2 ARG A 59 2.138 -14.324 9.592 1.00 1.65 N ATOM 0 H ARG A 59 -3.270 -9.926 11.443 1.00 0.71 H new ATOM 0 HA ARG A 59 -2.000 -8.399 9.185 1.00 0.59 H new ATOM 0 HB2 ARG A 59 -3.134 -11.225 9.380 1.00 0.63 H new ATOM 0 HB3 ARG A 59 -2.687 -10.468 7.864 1.00 0.63 H new ATOM 0 HG2 ARG A 59 -0.366 -10.273 8.523 1.00 0.76 H new ATOM 0 HG3 ARG A 59 -0.733 -10.617 10.202 1.00 0.76 H new ATOM 0 HD2 ARG A 59 -1.508 -12.927 9.534 1.00 0.83 H new ATOM 0 HD3 ARG A 59 -1.070 -12.576 7.874 1.00 0.83 H new ATOM 0 HE ARG A 59 1.298 -12.010 9.297 1.00 0.99 H new ATOM 0 HH11 ARG A 59 -0.977 -14.650 9.016 1.00 2.31 H new ATOM 0 HH12 ARG A 59 0.238 -15.895 9.320 1.00 2.31 H new ATOM 0 HH21 ARG A 59 2.853 -13.603 9.687 1.00 1.65 H new ATOM 0 HH22 ARG A 59 2.388 -15.307 9.697 1.00 1.65 H new ATOM 922 N HIS A 60 -4.307 -8.256 7.878 1.00 0.38 N ATOM 923 CA HIS A 60 -5.645 -7.781 7.393 1.00 0.29 C ATOM 924 C HIS A 60 -6.100 -8.638 6.211 1.00 0.26 C ATOM 925 O HIS A 60 -5.299 -9.176 5.473 1.00 0.28 O ATOM 926 CB HIS A 60 -5.535 -6.321 6.959 1.00 0.22 C ATOM 927 CG HIS A 60 -5.318 -5.462 8.174 1.00 0.31 C ATOM 928 ND1 HIS A 60 -4.053 -5.191 8.673 1.00 0.39 N ATOM 929 CD2 HIS A 60 -6.196 -4.809 9.005 1.00 0.44 C ATOM 930 CE1 HIS A 60 -4.204 -4.407 9.756 1.00 0.47 C ATOM 931 NE2 HIS A 60 -5.490 -4.144 10.003 1.00 0.50 N ATOM 0 H HIS A 60 -3.569 -8.250 7.174 1.00 0.38 H new ATOM 0 HA HIS A 60 -6.375 -7.868 8.197 1.00 0.29 H new ATOM 0 HB2 HIS A 60 -4.709 -6.198 6.259 1.00 0.22 H new ATOM 0 HB3 HIS A 60 -6.442 -6.014 6.438 1.00 0.22 H new ATOM 0 HD2 HIS A 60 -7.271 -4.811 8.900 1.00 0.44 H new ATOM 0 HE1 HIS A 60 -3.385 -4.035 10.353 1.00 0.47 H new ATOM 0 HE2 HIS A 60 -5.872 -3.578 10.760 1.00 0.50 H new ATOM 939 N TRP A 61 -7.386 -8.776 6.038 1.00 0.28 N ATOM 940 CA TRP A 61 -7.909 -9.607 4.916 1.00 0.32 C ATOM 941 C TRP A 61 -9.359 -9.203 4.624 1.00 0.38 C ATOM 942 O TRP A 61 -10.103 -8.859 5.518 1.00 0.42 O ATOM 943 CB TRP A 61 -7.886 -11.093 5.344 1.00 0.40 C ATOM 944 CG TRP A 61 -6.627 -11.768 4.891 1.00 0.42 C ATOM 945 CD1 TRP A 61 -6.250 -11.928 3.602 1.00 0.45 C ATOM 946 CD2 TRP A 61 -5.587 -12.389 5.702 1.00 0.46 C ATOM 947 NE1 TRP A 61 -5.052 -12.619 3.570 1.00 0.52 N ATOM 948 CE2 TRP A 61 -4.601 -12.921 4.838 1.00 0.52 C ATOM 949 CE3 TRP A 61 -5.405 -12.543 7.090 1.00 0.50 C ATOM 950 CZ2 TRP A 61 -3.477 -13.584 5.330 1.00 0.60 C ATOM 951 CZ3 TRP A 61 -4.272 -13.209 7.588 1.00 0.58 C ATOM 952 CH2 TRP A 61 -3.311 -13.728 6.709 1.00 0.62 C ATOM 0 H TRP A 61 -8.100 -8.348 6.627 1.00 0.28 H new ATOM 0 HA TRP A 61 -7.295 -9.459 4.028 1.00 0.32 H new ATOM 0 HB2 TRP A 61 -7.969 -11.163 6.429 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -8.750 -11.609 4.924 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -6.795 -11.574 2.739 1.00 0.45 H new ATOM 0 HE1 TRP A 61 -4.562 -12.874 2.713 1.00 0.52 H new ATOM 0 HE3 TRP A 61 -6.140 -12.147 7.775 1.00 0.50 H new ATOM 0 HZ2 TRP A 61 -2.740 -13.983 4.649 1.00 0.60 H new ATOM 0 HZ3 TRP A 61 -4.141 -13.322 8.654 1.00 0.58 H new ATOM 0 HH2 TRP A 61 -2.443 -14.239 7.098 1.00 0.62 H new ATOM 963 N HIS A 62 -9.787 -9.294 3.396 1.00 0.42 N ATOM 964 CA HIS A 62 -11.209 -8.972 3.102 1.00 0.51 C ATOM 965 C HIS A 62 -12.029 -10.147 3.648 1.00 0.59 C ATOM 966 O HIS A 62 -11.723 -11.287 3.361 1.00 0.62 O ATOM 967 CB HIS A 62 -11.442 -8.877 1.588 1.00 0.58 C ATOM 968 CG HIS A 62 -10.902 -7.586 1.041 1.00 0.54 C ATOM 969 ND1 HIS A 62 -9.850 -7.541 0.131 1.00 0.53 N ATOM 970 CD2 HIS A 62 -11.282 -6.283 1.236 1.00 0.55 C ATOM 971 CE1 HIS A 62 -9.643 -6.249 -0.181 1.00 0.53 C ATOM 972 NE2 HIS A 62 -10.488 -5.442 0.463 1.00 0.53 N ATOM 0 H HIS A 62 -9.222 -9.573 2.594 1.00 0.42 H new ATOM 0 HA HIS A 62 -11.488 -8.018 3.550 1.00 0.51 H new ATOM 0 HB2 HIS A 62 -10.960 -9.718 1.089 1.00 0.58 H new ATOM 0 HB3 HIS A 62 -12.509 -8.949 1.375 1.00 0.58 H new ATOM 0 HD2 HIS A 62 -12.077 -5.959 1.891 1.00 0.55 H new ATOM 0 HE1 HIS A 62 -8.885 -5.906 -0.869 1.00 0.53 H new ATOM 0 HE2 HIS A 62 -10.541 -4.425 0.402 1.00 0.53 H new ATOM 980 N GLU A 63 -13.041 -9.902 4.437 1.00 0.65 N ATOM 981 CA GLU A 63 -13.849 -11.037 4.998 1.00 0.74 C ATOM 982 C GLU A 63 -14.081 -12.111 3.916 1.00 0.81 C ATOM 983 O GLU A 63 -14.274 -13.272 4.214 1.00 0.86 O ATOM 984 CB GLU A 63 -15.211 -10.507 5.480 1.00 0.85 C ATOM 985 CG GLU A 63 -15.072 -9.886 6.873 1.00 1.02 C ATOM 986 CD GLU A 63 -16.430 -9.350 7.331 1.00 1.18 C ATOM 987 OE1 GLU A 63 -17.353 -9.373 6.534 1.00 1.60 O ATOM 988 OE2 GLU A 63 -16.523 -8.926 8.471 1.00 1.72 O ATOM 0 H GLU A 63 -13.346 -8.971 4.720 1.00 0.65 H new ATOM 0 HA GLU A 63 -13.304 -11.479 5.832 1.00 0.74 H new ATOM 0 HB2 GLU A 63 -15.590 -9.764 4.778 1.00 0.85 H new ATOM 0 HB3 GLU A 63 -15.937 -11.319 5.506 1.00 0.85 H new ATOM 0 HG2 GLU A 63 -14.706 -10.631 7.580 1.00 1.02 H new ATOM 0 HG3 GLU A 63 -14.339 -9.079 6.852 1.00 1.02 H new ATOM 995 N ALA A 64 -14.080 -11.723 2.665 1.00 0.82 N ATOM 996 CA ALA A 64 -14.318 -12.710 1.563 1.00 0.90 C ATOM 997 C ALA A 64 -12.999 -13.322 1.064 1.00 0.86 C ATOM 998 O ALA A 64 -12.994 -14.372 0.453 1.00 0.93 O ATOM 999 CB ALA A 64 -15.010 -12.000 0.399 1.00 0.97 C ATOM 0 H ALA A 64 -13.924 -10.763 2.357 1.00 0.82 H new ATOM 0 HA ALA A 64 -14.944 -13.514 1.951 1.00 0.90 H new ATOM 0 HB1 ALA A 64 -15.187 -12.711 -0.408 1.00 0.97 H new ATOM 0 HB2 ALA A 64 -15.962 -11.590 0.737 1.00 0.97 H new ATOM 0 HB3 ALA A 64 -14.375 -11.191 0.037 1.00 0.97 H new ATOM 1005 N CYS A 65 -11.885 -12.679 1.296 1.00 0.76 N ATOM 1006 CA CYS A 65 -10.588 -13.244 0.802 1.00 0.74 C ATOM 1007 C CYS A 65 -10.102 -14.342 1.744 1.00 0.74 C ATOM 1008 O CYS A 65 -9.447 -15.281 1.336 1.00 0.79 O ATOM 1009 CB CYS A 65 -9.539 -12.136 0.729 1.00 0.65 C ATOM 1010 SG CYS A 65 -9.823 -11.156 -0.763 1.00 0.70 S ATOM 0 H CYS A 65 -11.813 -11.796 1.801 1.00 0.76 H new ATOM 0 HA CYS A 65 -10.742 -13.667 -0.191 1.00 0.74 H new ATOM 0 HB2 CYS A 65 -9.599 -11.502 1.613 1.00 0.65 H new ATOM 0 HB3 CYS A 65 -8.538 -12.566 0.712 1.00 0.65 H new ATOM 1015 N PHE A 66 -10.410 -14.230 2.998 1.00 0.71 N ATOM 1016 CA PHE A 66 -9.964 -15.261 3.967 1.00 0.73 C ATOM 1017 C PHE A 66 -10.787 -16.533 3.747 1.00 0.84 C ATOM 1018 O PHE A 66 -11.933 -16.614 4.141 1.00 0.89 O ATOM 1019 CB PHE A 66 -10.188 -14.709 5.381 1.00 0.69 C ATOM 1020 CG PHE A 66 -9.197 -15.313 6.352 1.00 0.69 C ATOM 1021 CD1 PHE A 66 -9.165 -16.695 6.544 1.00 0.78 C ATOM 1022 CD2 PHE A 66 -8.310 -14.489 7.053 1.00 0.63 C ATOM 1023 CE1 PHE A 66 -8.249 -17.258 7.435 1.00 0.81 C ATOM 1024 CE2 PHE A 66 -7.388 -15.051 7.944 1.00 0.67 C ATOM 1025 CZ PHE A 66 -7.359 -16.437 8.134 1.00 0.76 C ATOM 0 H PHE A 66 -10.954 -13.465 3.398 1.00 0.71 H new ATOM 0 HA PHE A 66 -8.909 -15.501 3.833 1.00 0.73 H new ATOM 0 HB2 PHE A 66 -10.084 -13.624 5.374 1.00 0.69 H new ATOM 0 HB3 PHE A 66 -11.205 -14.929 5.706 1.00 0.69 H new ATOM 0 HD1 PHE A 66 -9.850 -17.330 6.002 1.00 0.78 H new ATOM 0 HD2 PHE A 66 -8.337 -13.419 6.907 1.00 0.63 H new ATOM 0 HE1 PHE A 66 -8.228 -18.327 7.584 1.00 0.81 H new ATOM 0 HE2 PHE A 66 -6.701 -14.416 8.483 1.00 0.67 H new ATOM 0 HZ PHE A 66 -6.649 -16.873 8.821 1.00 0.76 H new ATOM 1035 N HIS A 67 -10.218 -17.526 3.109 1.00 0.91 N ATOM 1036 CA HIS A 67 -10.990 -18.780 2.860 1.00 1.02 C ATOM 1037 C HIS A 67 -10.052 -19.990 2.744 1.00 1.09 C ATOM 1038 O HIS A 67 -8.845 -19.860 2.739 1.00 1.06 O ATOM 1039 CB HIS A 67 -11.785 -18.626 1.562 1.00 1.08 C ATOM 1040 CG HIS A 67 -10.892 -18.063 0.491 1.00 1.06 C ATOM 1041 ND1 HIS A 67 -9.510 -18.150 0.559 1.00 1.39 N ATOM 1042 CD2 HIS A 67 -11.168 -17.402 -0.680 1.00 1.35 C ATOM 1043 CE1 HIS A 67 -9.011 -17.556 -0.540 1.00 1.22 C ATOM 1044 NE2 HIS A 67 -9.979 -17.083 -1.329 1.00 1.15 N ATOM 0 H HIS A 67 -9.262 -17.523 2.753 1.00 0.91 H new ATOM 0 HA HIS A 67 -11.664 -18.949 3.700 1.00 1.02 H new ATOM 0 HB2 HIS A 67 -12.182 -19.592 1.249 1.00 1.08 H new ATOM 0 HB3 HIS A 67 -12.639 -17.968 1.722 1.00 1.08 H new ATOM 0 HD1 HIS A 67 -8.970 -18.585 1.307 1.00 1.39 H new ATOM 0 HD2 HIS A 67 -12.157 -17.165 -1.043 1.00 1.35 H new ATOM 0 HE1 HIS A 67 -7.956 -17.472 -0.758 1.00 1.22 H new ATOM 1052 N CYS A 68 -10.615 -21.173 2.643 1.00 1.19 N ATOM 1053 CA CYS A 68 -9.778 -22.405 2.517 1.00 1.27 C ATOM 1054 C CYS A 68 -9.371 -22.583 1.054 1.00 1.33 C ATOM 1055 O CYS A 68 -10.119 -22.276 0.153 1.00 1.35 O ATOM 1056 CB CYS A 68 -10.587 -23.629 2.972 1.00 1.36 C ATOM 1057 SG CYS A 68 -9.772 -25.159 2.435 1.00 1.48 S ATOM 0 H CYS A 68 -11.622 -21.336 2.643 1.00 1.19 H new ATOM 0 HA CYS A 68 -8.890 -22.309 3.141 1.00 1.27 H new ATOM 0 HB2 CYS A 68 -10.687 -23.624 4.057 1.00 1.36 H new ATOM 0 HB3 CYS A 68 -11.595 -23.581 2.559 1.00 1.36 H new ATOM 1062 N SER A 69 -8.192 -23.064 0.803 1.00 1.37 N ATOM 1063 CA SER A 69 -7.753 -23.242 -0.609 1.00 1.44 C ATOM 1064 C SER A 69 -8.506 -24.410 -1.265 1.00 1.56 C ATOM 1065 O SER A 69 -8.610 -24.485 -2.473 1.00 1.63 O ATOM 1066 CB SER A 69 -6.250 -23.528 -0.633 1.00 1.48 C ATOM 1067 OG SER A 69 -5.748 -23.292 -1.941 1.00 1.53 O ATOM 0 H SER A 69 -7.512 -23.342 1.510 1.00 1.37 H new ATOM 0 HA SER A 69 -7.971 -22.331 -1.166 1.00 1.44 H new ATOM 0 HB2 SER A 69 -5.735 -22.891 0.087 1.00 1.48 H new ATOM 0 HB3 SER A 69 -6.060 -24.560 -0.339 1.00 1.48 H new ATOM 0 HG SER A 69 -4.785 -23.473 -1.959 1.00 1.53 H new ATOM 1073 N GLN A 70 -9.006 -25.338 -0.485 1.00 1.59 N ATOM 1074 CA GLN A 70 -9.723 -26.520 -1.075 1.00 1.71 C ATOM 1075 C GLN A 70 -11.241 -26.331 -1.016 1.00 1.71 C ATOM 1076 O GLN A 70 -11.940 -26.545 -1.986 1.00 1.78 O ATOM 1077 CB GLN A 70 -9.362 -27.779 -0.277 1.00 1.77 C ATOM 1078 CG GLN A 70 -7.841 -27.885 -0.122 1.00 1.77 C ATOM 1079 CD GLN A 70 -7.222 -28.387 -1.421 1.00 1.87 C ATOM 1080 OE1 GLN A 70 -7.564 -29.448 -1.906 1.00 1.98 O ATOM 1081 NE2 GLN A 70 -6.315 -27.660 -2.009 1.00 1.85 N ATOM 0 H GLN A 70 -8.950 -25.331 0.533 1.00 1.59 H new ATOM 0 HA GLN A 70 -9.417 -26.617 -2.117 1.00 1.71 H new ATOM 0 HB2 GLN A 70 -9.834 -27.745 0.705 1.00 1.77 H new ATOM 0 HB3 GLN A 70 -9.746 -28.664 -0.785 1.00 1.77 H new ATOM 0 HG2 GLN A 70 -7.424 -26.912 0.138 1.00 1.77 H new ATOM 0 HG3 GLN A 70 -7.596 -28.565 0.694 1.00 1.77 H new ATOM 0 HE21 GLN A 70 -6.030 -26.770 -1.600 1.00 1.85 H new ATOM 0 HE22 GLN A 70 -5.890 -27.980 -2.879 1.00 1.85 H new ATOM 1090 N CYS A 71 -11.759 -25.959 0.121 1.00 1.65 N ATOM 1091 CA CYS A 71 -13.244 -25.788 0.253 1.00 1.66 C ATOM 1092 C CYS A 71 -13.651 -24.347 -0.058 1.00 1.59 C ATOM 1093 O CYS A 71 -14.819 -24.013 -0.059 1.00 1.61 O ATOM 1094 CB CYS A 71 -13.674 -26.134 1.684 1.00 1.65 C ATOM 1095 SG CYS A 71 -12.715 -27.543 2.277 1.00 1.71 S ATOM 0 H CYS A 71 -11.224 -25.765 0.967 1.00 1.65 H new ATOM 0 HA CYS A 71 -13.734 -26.455 -0.457 1.00 1.66 H new ATOM 0 HB2 CYS A 71 -13.522 -25.276 2.338 1.00 1.65 H new ATOM 0 HB3 CYS A 71 -14.738 -26.369 1.709 1.00 1.65 H new ATOM 1100 N ARG A 72 -12.706 -23.491 -0.313 1.00 1.52 N ATOM 1101 CA ARG A 72 -13.044 -22.073 -0.612 1.00 1.45 C ATOM 1102 C ARG A 72 -14.057 -21.557 0.407 1.00 1.42 C ATOM 1103 O ARG A 72 -14.681 -20.532 0.216 1.00 1.40 O ATOM 1104 CB ARG A 72 -13.624 -21.979 -2.026 1.00 1.55 C ATOM 1105 CG ARG A 72 -13.598 -20.526 -2.517 1.00 1.99 C ATOM 1106 CD ARG A 72 -13.768 -20.507 -4.036 1.00 2.40 C ATOM 1107 NE ARG A 72 -13.863 -19.098 -4.510 1.00 3.03 N ATOM 1108 CZ ARG A 72 -13.707 -18.824 -5.776 1.00 3.57 C ATOM 1109 NH1 ARG A 72 -13.468 -19.784 -6.627 1.00 3.70 N ATOM 1110 NH2 ARG A 72 -13.789 -17.590 -6.192 1.00 4.39 N ATOM 0 H ARG A 72 -11.710 -23.712 -0.328 1.00 1.52 H new ATOM 0 HA ARG A 72 -12.144 -21.462 -0.551 1.00 1.45 H new ATOM 0 HB2 ARG A 72 -13.050 -22.610 -2.705 1.00 1.55 H new ATOM 0 HB3 ARG A 72 -14.648 -22.354 -2.032 1.00 1.55 H new ATOM 0 HG2 ARG A 72 -14.396 -19.955 -2.042 1.00 1.99 H new ATOM 0 HG3 ARG A 72 -12.657 -20.052 -2.238 1.00 1.99 H new ATOM 0 HD2 ARG A 72 -12.924 -21.006 -4.513 1.00 2.40 H new ATOM 0 HD3 ARG A 72 -14.665 -21.058 -4.319 1.00 2.40 H new ATOM 0 HE ARG A 72 -14.050 -18.348 -3.845 1.00 3.03 H new ATOM 0 HH11 ARG A 72 -13.403 -20.749 -6.302 1.00 3.70 H new ATOM 0 HH12 ARG A 72 -13.346 -19.570 -7.617 1.00 3.70 H new ATOM 0 HH21 ARG A 72 -13.975 -16.839 -5.527 1.00 4.39 H new ATOM 0 HH22 ARG A 72 -13.667 -17.376 -7.182 1.00 4.39 H new ATOM 1124 N ASN A 73 -14.200 -22.241 1.507 1.00 1.43 N ATOM 1125 CA ASN A 73 -15.142 -21.764 2.550 1.00 1.42 C ATOM 1126 C ASN A 73 -14.567 -20.479 3.118 1.00 1.29 C ATOM 1127 O ASN A 73 -13.377 -20.283 3.104 1.00 1.21 O ATOM 1128 CB ASN A 73 -15.248 -22.808 3.665 1.00 1.47 C ATOM 1129 CG ASN A 73 -16.302 -23.853 3.297 1.00 1.62 C ATOM 1130 OD1 ASN A 73 -16.105 -24.645 2.398 1.00 1.80 O ATOM 1131 ND2 ASN A 73 -17.426 -23.882 3.957 1.00 1.73 N ATOM 0 H ASN A 73 -13.706 -23.106 1.726 1.00 1.43 H new ATOM 0 HA ASN A 73 -16.134 -21.599 2.130 1.00 1.42 H new ATOM 0 HB2 ASN A 73 -14.282 -23.290 3.817 1.00 1.47 H new ATOM 0 HB3 ASN A 73 -15.515 -22.324 4.605 1.00 1.47 H new ATOM 0 HD21 ASN A 73 -18.140 -24.570 3.718 1.00 1.73 H new ATOM 0 HD22 ASN A 73 -17.591 -23.217 4.712 1.00 1.73 H new ATOM 1138 N SER A 74 -15.383 -19.606 3.623 1.00 1.29 N ATOM 1139 CA SER A 74 -14.839 -18.338 4.188 1.00 1.17 C ATOM 1140 C SER A 74 -14.463 -18.559 5.653 1.00 1.14 C ATOM 1141 O SER A 74 -15.305 -18.516 6.528 1.00 1.19 O ATOM 1142 CB SER A 74 -15.902 -17.243 4.097 1.00 1.19 C ATOM 1143 OG SER A 74 -16.104 -16.897 2.732 1.00 1.23 O ATOM 0 H SER A 74 -16.397 -19.709 3.671 1.00 1.29 H new ATOM 0 HA SER A 74 -13.956 -18.036 3.624 1.00 1.17 H new ATOM 0 HB2 SER A 74 -16.836 -17.590 4.538 1.00 1.19 H new ATOM 0 HB3 SER A 74 -15.587 -16.367 4.664 1.00 1.19 H new ATOM 0 HG SER A 74 -16.786 -16.196 2.670 1.00 1.23 H new ATOM 1149 N LEU A 75 -13.206 -18.792 5.939 1.00 1.08 N ATOM 1150 CA LEU A 75 -12.809 -19.007 7.355 1.00 1.08 C ATOM 1151 C LEU A 75 -12.646 -17.645 8.022 1.00 1.00 C ATOM 1152 O LEU A 75 -11.762 -16.882 7.689 1.00 0.91 O ATOM 1153 CB LEU A 75 -11.468 -19.754 7.436 1.00 1.06 C ATOM 1154 CG LEU A 75 -11.400 -20.880 6.386 1.00 1.14 C ATOM 1155 CD1 LEU A 75 -9.943 -21.242 6.097 1.00 1.12 C ATOM 1156 CD2 LEU A 75 -12.122 -22.112 6.919 1.00 1.25 C ATOM 0 H LEU A 75 -12.448 -18.841 5.258 1.00 1.08 H new ATOM 0 HA LEU A 75 -13.575 -19.601 7.853 1.00 1.08 H new ATOM 0 HB2 LEU A 75 -10.647 -19.054 7.278 1.00 1.06 H new ATOM 0 HB3 LEU A 75 -11.341 -20.174 8.434 1.00 1.06 H new ATOM 0 HG LEU A 75 -11.875 -20.537 5.467 1.00 1.14 H new ATOM 0 HD11 LEU A 75 -9.907 -22.039 5.354 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -9.419 -20.366 5.716 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -9.463 -21.580 7.015 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -12.075 -22.910 6.178 1.00 1.25 H new ATOM 0 HD22 LEU A 75 -11.644 -22.444 7.840 1.00 1.25 H new ATOM 0 HD23 LEU A 75 -13.164 -21.864 7.120 1.00 1.25 H new ATOM 1168 N VAL A 76 -13.470 -17.351 8.980 1.00 1.05 N ATOM 1169 CA VAL A 76 -13.359 -16.060 9.707 1.00 1.01 C ATOM 1170 C VAL A 76 -13.619 -16.359 11.179 1.00 1.10 C ATOM 1171 O VAL A 76 -14.539 -17.079 11.508 1.00 1.20 O ATOM 1172 CB VAL A 76 -14.386 -15.067 9.158 1.00 1.01 C ATOM 1173 CG1 VAL A 76 -14.467 -13.848 10.077 1.00 1.01 C ATOM 1174 CG2 VAL A 76 -13.949 -14.618 7.758 1.00 0.93 C ATOM 0 H VAL A 76 -14.227 -17.957 9.296 1.00 1.05 H new ATOM 0 HA VAL A 76 -12.373 -15.612 9.580 1.00 1.01 H new ATOM 0 HB VAL A 76 -15.364 -15.545 9.107 1.00 1.01 H new ATOM 0 HG11 VAL A 76 -15.199 -13.143 9.683 1.00 1.01 H new ATOM 0 HG12 VAL A 76 -14.769 -14.164 11.075 1.00 1.01 H new ATOM 0 HG13 VAL A 76 -13.491 -13.366 10.129 1.00 1.01 H new ATOM 0 HG21 VAL A 76 -14.676 -13.910 7.360 1.00 0.93 H new ATOM 0 HG22 VAL A 76 -12.971 -14.139 7.818 1.00 0.93 H new ATOM 0 HG23 VAL A 76 -13.889 -15.485 7.100 1.00 0.93 H new ATOM 1184 N ASP A 77 -12.805 -15.861 12.068 1.00 1.07 N ATOM 1185 CA ASP A 77 -13.008 -16.171 13.514 1.00 1.18 C ATOM 1186 C ASP A 77 -13.193 -17.689 13.673 1.00 1.26 C ATOM 1187 O ASP A 77 -13.610 -18.173 14.707 1.00 1.36 O ATOM 1188 CB ASP A 77 -14.233 -15.407 14.056 1.00 1.25 C ATOM 1189 CG ASP A 77 -15.537 -16.122 13.683 1.00 1.52 C ATOM 1190 OD1 ASP A 77 -15.920 -17.028 14.405 1.00 1.86 O ATOM 1191 OD2 ASP A 77 -16.128 -15.750 12.682 1.00 2.23 O ATOM 0 H ASP A 77 -12.011 -15.256 11.859 1.00 1.07 H new ATOM 0 HA ASP A 77 -12.138 -15.853 14.088 1.00 1.18 H new ATOM 0 HB2 ASP A 77 -14.160 -15.318 15.140 1.00 1.25 H new ATOM 0 HB3 ASP A 77 -14.242 -14.394 13.653 1.00 1.25 H new ATOM 1196 N LYS A 78 -12.872 -18.439 12.640 1.00 1.22 N ATOM 1197 CA LYS A 78 -13.005 -19.928 12.682 1.00 1.30 C ATOM 1198 C LYS A 78 -11.584 -20.524 12.674 1.00 1.28 C ATOM 1199 O LYS A 78 -10.674 -19.875 12.215 1.00 1.19 O ATOM 1200 CB LYS A 78 -13.778 -20.388 11.428 1.00 1.31 C ATOM 1201 CG LYS A 78 -15.282 -20.441 11.727 1.00 1.41 C ATOM 1202 CD LYS A 78 -16.067 -20.493 10.414 1.00 1.46 C ATOM 1203 CE LYS A 78 -15.558 -21.653 9.554 1.00 1.77 C ATOM 1204 NZ LYS A 78 -16.560 -21.962 8.494 1.00 2.34 N ATOM 0 H LYS A 78 -12.518 -18.072 11.757 1.00 1.22 H new ATOM 0 HA LYS A 78 -13.542 -20.255 13.572 1.00 1.30 H new ATOM 0 HB2 LYS A 78 -13.587 -19.703 10.602 1.00 1.31 H new ATOM 0 HB3 LYS A 78 -13.427 -21.371 11.115 1.00 1.31 H new ATOM 0 HG2 LYS A 78 -15.511 -21.317 12.334 1.00 1.41 H new ATOM 0 HG3 LYS A 78 -15.579 -19.566 12.305 1.00 1.41 H new ATOM 0 HD2 LYS A 78 -17.130 -20.619 10.619 1.00 1.46 H new ATOM 0 HD3 LYS A 78 -15.956 -19.552 9.875 1.00 1.46 H new ATOM 0 HE2 LYS A 78 -14.602 -21.392 9.101 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -15.387 -22.532 10.175 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -16.215 -22.750 7.909 1.00 2.34 H new ATOM 0 HZ2 LYS A 78 -17.463 -22.229 8.937 1.00 2.34 H new ATOM 0 HZ3 LYS A 78 -16.702 -21.123 7.896 1.00 2.34 H new ATOM 1218 N PRO A 79 -11.412 -21.726 13.181 1.00 1.36 N ATOM 1219 CA PRO A 79 -10.076 -22.356 13.206 1.00 1.37 C ATOM 1220 C PRO A 79 -9.573 -22.591 11.769 1.00 1.31 C ATOM 1221 O PRO A 79 -10.306 -23.045 10.913 1.00 1.33 O ATOM 1222 CB PRO A 79 -10.290 -23.696 13.945 1.00 1.49 C ATOM 1223 CG PRO A 79 -11.822 -23.896 14.097 1.00 1.55 C ATOM 1224 CD PRO A 79 -12.495 -22.549 13.759 1.00 1.47 C ATOM 0 HA PRO A 79 -9.327 -21.736 13.699 1.00 1.37 H new ATOM 0 HB2 PRO A 79 -9.848 -24.520 13.384 1.00 1.49 H new ATOM 0 HB3 PRO A 79 -9.805 -23.679 14.921 1.00 1.49 H new ATOM 0 HG2 PRO A 79 -12.176 -24.681 13.428 1.00 1.55 H new ATOM 0 HG3 PRO A 79 -12.070 -24.206 15.112 1.00 1.55 H new ATOM 0 HD2 PRO A 79 -13.313 -22.681 13.051 1.00 1.47 H new ATOM 0 HD3 PRO A 79 -12.916 -22.082 14.649 1.00 1.47 H new ATOM 1232 N PHE A 80 -8.322 -22.303 11.507 1.00 1.27 N ATOM 1233 CA PHE A 80 -7.765 -22.529 10.136 1.00 1.23 C ATOM 1234 C PHE A 80 -6.277 -22.835 10.236 1.00 1.26 C ATOM 1235 O PHE A 80 -5.600 -22.390 11.142 1.00 1.26 O ATOM 1236 CB PHE A 80 -7.949 -21.282 9.259 1.00 1.12 C ATOM 1237 CG PHE A 80 -7.324 -20.072 9.927 1.00 1.04 C ATOM 1238 CD1 PHE A 80 -5.934 -19.883 9.893 1.00 1.03 C ATOM 1239 CD2 PHE A 80 -8.135 -19.140 10.582 1.00 1.01 C ATOM 1240 CE1 PHE A 80 -5.363 -18.766 10.519 1.00 0.97 C ATOM 1241 CE2 PHE A 80 -7.564 -18.023 11.205 1.00 0.95 C ATOM 1242 CZ PHE A 80 -6.178 -17.837 11.175 1.00 0.93 C ATOM 0 H PHE A 80 -7.661 -21.921 12.184 1.00 1.27 H new ATOM 0 HA PHE A 80 -8.298 -23.366 9.685 1.00 1.23 H new ATOM 0 HB2 PHE A 80 -7.491 -21.444 8.283 1.00 1.12 H new ATOM 0 HB3 PHE A 80 -9.010 -21.103 9.087 1.00 1.12 H new ATOM 0 HD1 PHE A 80 -5.304 -20.598 9.385 1.00 1.03 H new ATOM 0 HD2 PHE A 80 -9.205 -19.282 10.608 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -4.293 -18.622 10.495 1.00 0.97 H new ATOM 0 HE2 PHE A 80 -8.194 -17.305 11.709 1.00 0.95 H new ATOM 0 HZ PHE A 80 -5.737 -16.977 11.658 1.00 0.93 H new ATOM 1252 N ALA A 81 -5.753 -23.571 9.295 1.00 1.30 N ATOM 1253 CA ALA A 81 -4.298 -23.885 9.313 1.00 1.35 C ATOM 1254 C ALA A 81 -3.587 -22.852 8.442 1.00 1.28 C ATOM 1255 O ALA A 81 -3.807 -22.772 7.250 1.00 1.26 O ATOM 1256 CB ALA A 81 -4.061 -25.289 8.750 1.00 1.45 C ATOM 0 H ALA A 81 -6.272 -23.969 8.512 1.00 1.30 H new ATOM 0 HA ALA A 81 -3.915 -23.853 10.333 1.00 1.35 H new ATOM 0 HB1 ALA A 81 -2.994 -25.512 8.766 1.00 1.45 H new ATOM 0 HB2 ALA A 81 -4.594 -26.020 9.358 1.00 1.45 H new ATOM 0 HB3 ALA A 81 -4.426 -25.336 7.724 1.00 1.45 H new ATOM 1262 N ALA A 82 -2.755 -22.048 9.031 1.00 1.25 N ATOM 1263 CA ALA A 82 -2.049 -21.002 8.243 1.00 1.20 C ATOM 1264 C ALA A 82 -0.859 -21.619 7.509 1.00 1.29 C ATOM 1265 O ALA A 82 0.167 -21.909 8.092 1.00 1.37 O ATOM 1266 CB ALA A 82 -1.547 -19.908 9.190 1.00 1.16 C ATOM 0 H ALA A 82 -2.531 -22.068 10.026 1.00 1.25 H new ATOM 0 HA ALA A 82 -2.738 -20.574 7.515 1.00 1.20 H new ATOM 0 HB1 ALA A 82 -1.029 -19.140 8.616 1.00 1.16 H new ATOM 0 HB2 ALA A 82 -2.394 -19.462 9.712 1.00 1.16 H new ATOM 0 HB3 ALA A 82 -0.861 -20.343 9.917 1.00 1.16 H new ATOM 1272 N LYS A 83 -0.989 -21.807 6.223 1.00 1.31 N ATOM 1273 CA LYS A 83 0.126 -22.387 5.423 1.00 1.42 C ATOM 1274 C LYS A 83 0.978 -21.237 4.888 1.00 1.39 C ATOM 1275 O LYS A 83 0.555 -20.098 4.883 1.00 1.29 O ATOM 1276 CB LYS A 83 -0.440 -23.217 4.268 1.00 1.47 C ATOM 1277 CG LYS A 83 0.688 -23.633 3.317 1.00 1.59 C ATOM 1278 CD LYS A 83 0.247 -24.853 2.504 1.00 1.69 C ATOM 1279 CE LYS A 83 1.285 -25.151 1.422 1.00 1.84 C ATOM 1280 NZ LYS A 83 2.607 -25.410 2.060 1.00 2.44 N ATOM 0 H LYS A 83 -1.828 -21.581 5.689 1.00 1.31 H new ATOM 0 HA LYS A 83 0.738 -23.042 6.043 1.00 1.42 H new ATOM 0 HB2 LYS A 83 -0.943 -24.102 4.658 1.00 1.47 H new ATOM 0 HB3 LYS A 83 -1.188 -22.638 3.726 1.00 1.47 H new ATOM 0 HG2 LYS A 83 0.937 -22.809 2.649 1.00 1.59 H new ATOM 0 HG3 LYS A 83 1.589 -23.867 3.885 1.00 1.59 H new ATOM 0 HD2 LYS A 83 0.131 -25.717 3.159 1.00 1.69 H new ATOM 0 HD3 LYS A 83 -0.725 -24.667 2.048 1.00 1.69 H new ATOM 0 HE2 LYS A 83 0.976 -26.016 0.835 1.00 1.84 H new ATOM 0 HE3 LYS A 83 1.360 -24.309 0.733 1.00 1.84 H new ATOM 0 HZ1 LYS A 83 3.239 -25.870 1.374 1.00 2.44 H new ATOM 0 HZ2 LYS A 83 3.027 -24.509 2.367 1.00 2.44 H new ATOM 0 HZ3 LYS A 83 2.479 -26.031 2.884 1.00 2.44 H new ATOM 1294 N GLU A 84 2.185 -21.522 4.481 1.00 1.50 N ATOM 1295 CA GLU A 84 3.104 -20.450 3.989 1.00 1.51 C ATOM 1296 C GLU A 84 2.348 -19.376 3.193 1.00 1.41 C ATOM 1297 O GLU A 84 2.406 -18.209 3.529 1.00 1.34 O ATOM 1298 CB GLU A 84 4.165 -21.087 3.087 1.00 1.65 C ATOM 1299 CG GLU A 84 5.173 -21.858 3.943 1.00 1.75 C ATOM 1300 CD GLU A 84 6.258 -22.453 3.044 1.00 2.34 C ATOM 1301 OE1 GLU A 84 6.937 -21.686 2.381 1.00 2.86 O ATOM 1302 OE2 GLU A 84 6.392 -23.666 3.033 1.00 2.94 O ATOM 0 H GLU A 84 2.580 -22.462 4.467 1.00 1.50 H new ATOM 0 HA GLU A 84 3.563 -19.969 4.853 1.00 1.51 H new ATOM 0 HB2 GLU A 84 3.692 -21.759 2.371 1.00 1.65 H new ATOM 0 HB3 GLU A 84 4.677 -20.316 2.511 1.00 1.65 H new ATOM 0 HG2 GLU A 84 5.622 -21.194 4.681 1.00 1.75 H new ATOM 0 HG3 GLU A 84 4.667 -22.651 4.493 1.00 1.75 H new ATOM 1309 N ASP A 85 1.659 -19.744 2.140 1.00 1.42 N ATOM 1310 CA ASP A 85 0.922 -18.727 1.321 1.00 1.34 C ATOM 1311 C ASP A 85 -0.563 -19.096 1.220 1.00 1.28 C ATOM 1312 O ASP A 85 -1.311 -18.443 0.519 1.00 1.23 O ATOM 1313 CB ASP A 85 1.539 -18.709 -0.088 1.00 1.45 C ATOM 1314 CG ASP A 85 2.754 -17.776 -0.118 1.00 1.49 C ATOM 1315 OD1 ASP A 85 2.562 -16.581 0.034 1.00 2.00 O ATOM 1316 OD2 ASP A 85 3.855 -18.273 -0.293 1.00 1.66 O ATOM 0 H ASP A 85 1.574 -20.706 1.811 1.00 1.42 H new ATOM 0 HA ASP A 85 1.004 -17.747 1.791 1.00 1.34 H new ATOM 0 HB2 ASP A 85 1.837 -19.717 -0.376 1.00 1.45 H new ATOM 0 HB3 ASP A 85 0.797 -18.377 -0.814 1.00 1.45 H new ATOM 1321 N GLN A 86 -0.993 -20.150 1.873 1.00 1.30 N ATOM 1322 CA GLN A 86 -2.434 -20.571 1.763 1.00 1.26 C ATOM 1323 C GLN A 86 -3.076 -20.765 3.138 1.00 1.20 C ATOM 1324 O GLN A 86 -2.425 -20.781 4.162 1.00 1.20 O ATOM 1325 CB GLN A 86 -2.517 -21.901 1.009 1.00 1.39 C ATOM 1326 CG GLN A 86 -1.690 -21.841 -0.276 1.00 1.47 C ATOM 1327 CD GLN A 86 -2.433 -21.022 -1.333 1.00 1.43 C ATOM 1328 OE1 GLN A 86 -1.970 -20.884 -2.448 1.00 1.64 O ATOM 1329 NE2 GLN A 86 -3.575 -20.470 -1.028 1.00 1.70 N ATOM 0 H GLN A 86 -0.415 -20.736 2.475 1.00 1.30 H new ATOM 0 HA GLN A 86 -2.967 -19.781 1.234 1.00 1.26 H new ATOM 0 HB2 GLN A 86 -2.154 -22.709 1.644 1.00 1.39 H new ATOM 0 HB3 GLN A 86 -3.556 -22.126 0.769 1.00 1.39 H new ATOM 0 HG2 GLN A 86 -0.718 -21.393 -0.073 1.00 1.47 H new ATOM 0 HG3 GLN A 86 -1.505 -22.849 -0.648 1.00 1.47 H new ATOM 0 HE21 GLN A 86 -3.964 -20.586 -0.092 1.00 1.70 H new ATOM 0 HE22 GLN A 86 -4.079 -19.923 -1.725 1.00 1.70 H new ATOM 1338 N LEU A 87 -4.372 -20.943 3.139 1.00 1.17 N ATOM 1339 CA LEU A 87 -5.132 -21.191 4.396 1.00 1.14 C ATOM 1340 C LEU A 87 -5.989 -22.428 4.153 1.00 1.22 C ATOM 1341 O LEU A 87 -6.590 -22.572 3.109 1.00 1.25 O ATOM 1342 CB LEU A 87 -6.025 -19.986 4.730 1.00 1.02 C ATOM 1343 CG LEU A 87 -5.176 -18.892 5.412 1.00 0.95 C ATOM 1344 CD1 LEU A 87 -5.798 -17.509 5.167 1.00 0.84 C ATOM 1345 CD2 LEU A 87 -5.091 -19.164 6.922 1.00 0.96 C ATOM 0 H LEU A 87 -4.948 -20.926 2.297 1.00 1.17 H new ATOM 0 HA LEU A 87 -4.455 -21.340 5.237 1.00 1.14 H new ATOM 0 HB2 LEU A 87 -6.481 -19.594 3.821 1.00 1.02 H new ATOM 0 HB3 LEU A 87 -6.838 -20.293 5.387 1.00 1.02 H new ATOM 0 HG LEU A 87 -4.173 -18.908 4.987 1.00 0.95 H new ATOM 0 HD11 LEU A 87 -5.190 -16.746 5.653 1.00 0.84 H new ATOM 0 HD12 LEU A 87 -5.839 -17.313 4.096 1.00 0.84 H new ATOM 0 HD13 LEU A 87 -6.807 -17.486 5.579 1.00 0.84 H new ATOM 0 HD21 LEU A 87 -4.491 -18.389 7.398 1.00 0.96 H new ATOM 0 HD22 LEU A 87 -6.094 -19.160 7.349 1.00 0.96 H new ATOM 0 HD23 LEU A 87 -4.628 -20.136 7.091 1.00 0.96 H new ATOM 1357 N LEU A 88 -6.017 -23.342 5.084 1.00 1.28 N ATOM 1358 CA LEU A 88 -6.804 -24.600 4.890 1.00 1.37 C ATOM 1359 C LEU A 88 -7.623 -24.896 6.145 1.00 1.38 C ATOM 1360 O LEU A 88 -7.394 -24.331 7.195 1.00 1.33 O ATOM 1361 CB LEU A 88 -5.815 -25.748 4.642 1.00 1.47 C ATOM 1362 CG LEU A 88 -5.160 -25.594 3.249 1.00 1.51 C ATOM 1363 CD1 LEU A 88 -3.770 -26.237 3.243 1.00 1.59 C ATOM 1364 CD2 LEU A 88 -6.024 -26.270 2.184 1.00 1.57 C ATOM 0 H LEU A 88 -5.527 -23.274 5.976 1.00 1.28 H new ATOM 0 HA LEU A 88 -7.483 -24.492 4.044 1.00 1.37 H new ATOM 0 HB2 LEU A 88 -5.047 -25.750 5.415 1.00 1.47 H new ATOM 0 HB3 LEU A 88 -6.333 -26.705 4.705 1.00 1.47 H new ATOM 0 HG LEU A 88 -5.071 -24.530 3.028 1.00 1.51 H new ATOM 0 HD11 LEU A 88 -3.320 -26.122 2.257 1.00 1.59 H new ATOM 0 HD12 LEU A 88 -3.141 -25.750 3.988 1.00 1.59 H new ATOM 0 HD13 LEU A 88 -3.859 -27.297 3.480 1.00 1.59 H new ATOM 0 HD21 LEU A 88 -5.554 -26.156 1.207 1.00 1.57 H new ATOM 0 HD22 LEU A 88 -6.125 -27.330 2.416 1.00 1.57 H new ATOM 0 HD23 LEU A 88 -7.011 -25.807 2.168 1.00 1.57 H new ATOM 1376 N CYS A 89 -8.568 -25.794 6.050 1.00 1.45 N ATOM 1377 CA CYS A 89 -9.384 -26.139 7.243 1.00 1.47 C ATOM 1378 C CYS A 89 -8.625 -27.197 8.030 1.00 1.55 C ATOM 1379 O CYS A 89 -8.046 -28.097 7.456 1.00 1.61 O ATOM 1380 CB CYS A 89 -10.739 -26.723 6.814 1.00 1.54 C ATOM 1381 SG CYS A 89 -11.466 -25.724 5.496 1.00 1.49 S ATOM 0 H CYS A 89 -8.807 -26.301 5.198 1.00 1.45 H new ATOM 0 HA CYS A 89 -9.560 -25.245 7.842 1.00 1.47 H new ATOM 0 HB2 CYS A 89 -10.608 -27.749 6.471 1.00 1.54 H new ATOM 0 HB3 CYS A 89 -11.415 -26.757 7.669 1.00 1.54 H new ATOM 1386 N THR A 90 -8.613 -27.108 9.331 1.00 1.55 N ATOM 1387 CA THR A 90 -7.878 -28.132 10.131 1.00 1.63 C ATOM 1388 C THR A 90 -8.247 -29.527 9.614 1.00 1.73 C ATOM 1389 O THR A 90 -7.574 -30.503 9.884 1.00 1.80 O ATOM 1390 CB THR A 90 -8.267 -28.013 11.609 1.00 1.64 C ATOM 1391 OG1 THR A 90 -9.398 -28.834 11.866 1.00 1.81 O ATOM 1392 CG2 THR A 90 -8.607 -26.560 11.946 1.00 1.76 C ATOM 0 H THR A 90 -9.075 -26.378 9.873 1.00 1.55 H new ATOM 0 HA THR A 90 -6.804 -27.973 10.032 1.00 1.63 H new ATOM 0 HB THR A 90 -7.429 -28.336 12.226 1.00 1.64 H new ATOM 0 HG1 THR A 90 -9.647 -28.761 12.811 1.00 1.81 H new ATOM 0 HG21 THR A 90 -8.882 -26.485 12.998 1.00 1.76 H new ATOM 0 HG22 THR A 90 -7.740 -25.929 11.752 1.00 1.76 H new ATOM 0 HG23 THR A 90 -9.442 -26.229 11.328 1.00 1.76 H new ATOM 1400 N ASP A 91 -9.305 -29.614 8.852 1.00 1.73 N ATOM 1401 CA ASP A 91 -9.721 -30.928 8.288 1.00 1.84 C ATOM 1402 C ASP A 91 -8.924 -31.187 7.007 1.00 1.86 C ATOM 1403 O ASP A 91 -8.432 -32.274 6.778 1.00 1.94 O ATOM 1404 CB ASP A 91 -11.213 -30.897 7.965 1.00 1.85 C ATOM 1405 CG ASP A 91 -12.016 -30.799 9.263 1.00 1.87 C ATOM 1406 OD1 ASP A 91 -12.212 -29.691 9.734 1.00 2.33 O ATOM 1407 OD2 ASP A 91 -12.422 -31.835 9.764 1.00 1.99 O ATOM 0 H ASP A 91 -9.901 -28.827 8.596 1.00 1.73 H new ATOM 0 HA ASP A 91 -9.530 -31.720 9.012 1.00 1.84 H new ATOM 0 HB2 ASP A 91 -11.439 -30.047 7.321 1.00 1.85 H new ATOM 0 HB3 ASP A 91 -11.496 -31.796 7.417 1.00 1.85 H new ATOM 1412 N CYS A 92 -8.786 -30.189 6.174 1.00 1.78 N ATOM 1413 CA CYS A 92 -8.012 -30.369 4.913 1.00 1.81 C ATOM 1414 C CYS A 92 -6.521 -30.278 5.231 1.00 1.81 C ATOM 1415 O CYS A 92 -5.707 -30.975 4.660 1.00 1.89 O ATOM 1416 CB CYS A 92 -8.399 -29.272 3.909 1.00 1.74 C ATOM 1417 SG CYS A 92 -10.160 -28.907 4.076 1.00 1.73 S ATOM 0 H CYS A 92 -9.176 -29.257 6.314 1.00 1.78 H new ATOM 0 HA CYS A 92 -8.235 -31.343 4.477 1.00 1.81 H new ATOM 0 HB2 CYS A 92 -7.810 -28.373 4.090 1.00 1.74 H new ATOM 0 HB3 CYS A 92 -8.178 -29.598 2.893 1.00 1.74 H new ATOM 1422 N TYR A 93 -6.159 -29.423 6.141 1.00 1.73 N ATOM 1423 CA TYR A 93 -4.725 -29.288 6.501 1.00 1.74 C ATOM 1424 C TYR A 93 -4.213 -30.613 7.057 1.00 1.85 C ATOM 1425 O TYR A 93 -3.185 -31.114 6.655 1.00 1.92 O ATOM 1426 CB TYR A 93 -4.575 -28.215 7.573 1.00 1.65 C ATOM 1427 CG TYR A 93 -3.109 -27.892 7.743 1.00 1.66 C ATOM 1428 CD1 TYR A 93 -2.424 -27.187 6.744 1.00 1.64 C ATOM 1429 CD2 TYR A 93 -2.430 -28.309 8.893 1.00 1.71 C ATOM 1430 CE1 TYR A 93 -1.063 -26.899 6.899 1.00 1.66 C ATOM 1431 CE2 TYR A 93 -1.070 -28.023 9.048 1.00 1.73 C ATOM 1432 CZ TYR A 93 -0.386 -27.317 8.051 1.00 1.71 C ATOM 1433 OH TYR A 93 0.957 -27.035 8.203 1.00 1.75 O ATOM 0 H TYR A 93 -6.795 -28.811 6.652 1.00 1.73 H new ATOM 0 HA TYR A 93 -4.154 -29.013 5.614 1.00 1.74 H new ATOM 0 HB2 TYR A 93 -5.128 -27.319 7.289 1.00 1.65 H new ATOM 0 HB3 TYR A 93 -4.996 -28.564 8.516 1.00 1.65 H new ATOM 0 HD1 TYR A 93 -2.946 -26.866 5.855 1.00 1.64 H new ATOM 0 HD2 TYR A 93 -2.957 -28.853 9.663 1.00 1.71 H new ATOM 0 HE1 TYR A 93 -0.535 -26.354 6.130 1.00 1.66 H new ATOM 0 HE2 TYR A 93 -0.548 -28.346 9.936 1.00 1.73 H new ATOM 0 HH TYR A 93 1.460 -27.872 8.284 1.00 1.75 H new ATOM 1443 N SER A 94 -4.925 -31.173 7.989 1.00 1.88 N ATOM 1444 CA SER A 94 -4.487 -32.461 8.598 1.00 1.99 C ATOM 1445 C SER A 94 -4.564 -33.583 7.558 1.00 2.08 C ATOM 1446 O SER A 94 -3.913 -34.601 7.681 1.00 2.18 O ATOM 1447 CB SER A 94 -5.400 -32.799 9.777 1.00 2.02 C ATOM 1448 OG SER A 94 -5.329 -31.755 10.740 1.00 2.30 O ATOM 0 H SER A 94 -5.797 -30.794 8.359 1.00 1.88 H new ATOM 0 HA SER A 94 -3.458 -32.363 8.944 1.00 1.99 H new ATOM 0 HB2 SER A 94 -6.427 -32.923 9.433 1.00 2.02 H new ATOM 0 HB3 SER A 94 -5.098 -33.745 10.226 1.00 2.02 H new ATOM 0 HG SER A 94 -6.047 -31.108 10.575 1.00 2.30 H new ATOM 1454 N ASN A 95 -5.359 -33.407 6.538 1.00 2.07 N ATOM 1455 CA ASN A 95 -5.484 -34.466 5.495 1.00 2.17 C ATOM 1456 C ASN A 95 -4.205 -34.526 4.656 1.00 2.20 C ATOM 1457 O ASN A 95 -3.793 -35.580 4.214 1.00 2.31 O ATOM 1458 CB ASN A 95 -6.668 -34.136 4.580 1.00 2.16 C ATOM 1459 CG ASN A 95 -7.980 -34.481 5.289 1.00 2.51 C ATOM 1460 OD1 ASN A 95 -9.023 -34.534 4.669 1.00 2.83 O ATOM 1461 ND2 ASN A 95 -7.971 -34.718 6.572 1.00 3.02 N ATOM 0 H ASN A 95 -5.928 -32.575 6.381 1.00 2.07 H new ATOM 0 HA ASN A 95 -5.643 -35.429 5.980 1.00 2.17 H new ATOM 0 HB2 ASN A 95 -6.653 -33.078 4.317 1.00 2.16 H new ATOM 0 HB3 ASN A 95 -6.588 -34.697 3.649 1.00 2.16 H new ATOM 0 HD21 ASN A 95 -8.840 -34.948 7.054 1.00 3.02 H new ATOM 0 HD22 ASN A 95 -7.095 -34.674 7.093 1.00 3.02 H new ATOM 1468 N GLU A 96 -3.586 -33.398 4.423 1.00 2.10 N ATOM 1469 CA GLU A 96 -2.336 -33.365 3.596 1.00 2.14 C ATOM 1470 C GLU A 96 -1.121 -33.127 4.494 1.00 2.14 C ATOM 1471 O GLU A 96 -0.072 -33.708 4.297 1.00 2.22 O ATOM 1472 CB GLU A 96 -2.445 -32.233 2.561 1.00 2.07 C ATOM 1473 CG GLU A 96 -2.763 -30.882 3.253 1.00 2.07 C ATOM 1474 CD GLU A 96 -1.470 -30.094 3.505 1.00 2.37 C ATOM 1475 OE1 GLU A 96 -0.451 -30.721 3.738 1.00 2.75 O ATOM 1476 OE2 GLU A 96 -1.525 -28.876 3.459 1.00 2.79 O ATOM 0 H GLU A 96 -3.893 -32.490 4.772 1.00 2.10 H new ATOM 0 HA GLU A 96 -2.215 -34.320 3.085 1.00 2.14 H new ATOM 0 HB2 GLU A 96 -1.511 -32.151 2.005 1.00 2.07 H new ATOM 0 HB3 GLU A 96 -3.226 -32.469 1.838 1.00 2.07 H new ATOM 0 HG2 GLU A 96 -3.438 -30.296 2.629 1.00 2.07 H new ATOM 0 HG3 GLU A 96 -3.277 -31.062 4.197 1.00 2.07 H new ATOM 1483 N TYR A 97 -1.249 -32.282 5.478 1.00 2.07 N ATOM 1484 CA TYR A 97 -0.096 -32.015 6.385 1.00 2.10 C ATOM 1485 C TYR A 97 0.504 -33.346 6.849 1.00 2.19 C ATOM 1486 O TYR A 97 1.703 -33.482 6.991 1.00 2.23 O ATOM 1487 CB TYR A 97 -0.579 -31.216 7.598 1.00 2.03 C ATOM 1488 CG TYR A 97 0.542 -31.086 8.605 1.00 2.11 C ATOM 1489 CD1 TYR A 97 1.605 -30.210 8.359 1.00 2.18 C ATOM 1490 CD2 TYR A 97 0.516 -31.841 9.784 1.00 2.17 C ATOM 1491 CE1 TYR A 97 2.643 -30.089 9.291 1.00 2.30 C ATOM 1492 CE2 TYR A 97 1.553 -31.721 10.716 1.00 2.29 C ATOM 1493 CZ TYR A 97 2.616 -30.844 10.470 1.00 2.35 C ATOM 1494 OH TYR A 97 3.639 -30.725 11.389 1.00 2.50 O ATOM 0 H TYR A 97 -2.101 -31.765 5.694 1.00 2.07 H new ATOM 0 HA TYR A 97 0.664 -31.442 5.854 1.00 2.10 H new ATOM 0 HB2 TYR A 97 -0.914 -30.228 7.284 1.00 2.03 H new ATOM 0 HB3 TYR A 97 -1.435 -31.713 8.055 1.00 2.03 H new ATOM 0 HD1 TYR A 97 1.625 -29.627 7.450 1.00 2.18 H new ATOM 0 HD2 TYR A 97 -0.305 -32.516 9.974 1.00 2.17 H new ATOM 0 HE1 TYR A 97 3.464 -29.414 9.101 1.00 2.30 H new ATOM 0 HE2 TYR A 97 1.533 -32.305 11.624 1.00 2.29 H new ATOM 0 HH TYR A 97 3.465 -31.317 12.150 1.00 2.50 H new ATOM 1504 N SER A 98 -0.322 -34.328 7.083 1.00 2.25 N ATOM 1505 CA SER A 98 0.200 -35.648 7.535 1.00 2.37 C ATOM 1506 C SER A 98 1.212 -36.172 6.514 1.00 2.60 C ATOM 1507 O SER A 98 0.902 -36.141 5.334 1.00 2.98 O ATOM 1508 CB SER A 98 -0.958 -36.639 7.659 1.00 2.55 C ATOM 1509 OG SER A 98 -2.031 -36.022 8.358 1.00 2.98 O ATOM 1510 OXT SER A 98 2.279 -36.593 6.928 1.00 2.90 O ATOM 0 H SER A 98 -1.335 -34.273 6.981 1.00 2.25 H new ATOM 0 HA SER A 98 0.686 -35.534 8.504 1.00 2.37 H new ATOM 0 HB2 SER A 98 -1.288 -36.956 6.670 1.00 2.55 H new ATOM 0 HB3 SER A 98 -0.631 -37.534 8.188 1.00 2.55 H new ATOM 0 HG SER A 98 -2.705 -35.714 7.717 1.00 2.98 H new TER 1516 SER A 98 HETATM 1517 ZN ZN A 301 -5.132 12.311 -3.296 1.00 0.29 ZN HETATM 1518 ZN ZN A 302 -8.813 -9.099 -0.589 1.00 0.57 ZN HETATM 1519 ZN ZN A 303 -10.939 -26.809 3.538 1.00 1.59 ZN