USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=66 USER MOD reduce.3.24.130724 removed 1727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 16 HIS : no HE2:sc= 1.36 K(o=4.4,f=-14!) USER MOD Set 1.2: B 92 SER OG : rot -99:sc= 1.44 USER MOD Set 1.3: B 108 CYS SG : rot 151:sc= 1.62 USER MOD Set 2.1: B 73 SER OG : rot 180:sc= 1 USER MOD Set 2.2: B 91 SER OG : rot -66:sc= 1.3 USER MOD Set 3.1: B 35 TYR OH : rot -96:sc= 0.0695 USER MOD Set 3.2: B 83 GLN : amide:sc= 0.79 K(o=0.86,f=-6.3!) USER MOD Set 4.1: B 14 SER OG : rot -51:sc= 0.825 USER MOD Set 4.2: B 88 MET CE :methyl 169:sc= -1.06 (180deg=-0.558) USER MOD Set 4.3: B 110 ASN : amide:sc= -0.446 K(o=-0.69,f=-2.7!) USER MOD Set 5.1: A 70 GLN : amide:sc= -0.381 X(o=0.56,f=0.91) USER MOD Set 5.2: A 109 SER OG : rot 180:sc= 0.943 USER MOD Set 6.1: A 102 MET CE :methyl -155:sc= -0.0708 (180deg=-0.553) USER MOD Set 6.2: B 109 THR OG1 : rot 75:sc= 0.382 USER MOD Set 7.1: A 95 ASN : amide:sc= 0.328 K(o=2.5,f=0.29!) USER MOD Set 7.2: A 97 GLN : amide:sc= 1.51 K(o=2.5,f=-1.8) USER MOD Set 7.3: A 99 GLN : amide:sc= 0.616 K(o=2.5,f=-1.9) USER MOD Set 8.1: A 65 GLN : amide:sc= 1.87 K(o=4.4,f=-1.2) USER MOD Set 8.2: A 88 THR OG1 : rot 156:sc= 1.27 USER MOD Set 8.3: B 70 GLN : amide:sc= 1.28! C(o=4.4!,f=-1.2!) USER MOD Set 9.1: A 59 ASN : amide:sc= 0.633 K(o=1.4,f=-7.5!) USER MOD Set 9.2: A 63 LYS NZ :NH3+ 151:sc= 0.792 (180deg=-0.0813) USER MOD Set10.1: A 10 SER OG : rot -113:sc= 1.27 USER MOD Set10.2: A 12 HIS : no HE2:sc= 1.95 K(o=-0.38,f=-13!) USER MOD Set10.3: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set10.4: A 45 TYR OH : rot -120:sc= 0.0222 USER MOD Set10.5: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set10.6: A 71 TYR OH : rot 30:sc= 1.05 USER MOD Set10.7: A 85 THR OG1 : rot 156:sc= 1.14 USER MOD Set10.8: A 103 CYS SG : rot 41:sc= 0.73 USER MOD Set10.9: A 105 ASN : amide:sc= -6.54! C(o=-0.38!,f=0.1!) USER MOD Set11.1: A 42 TYR OH : rot 180:sc= 0.928 USER MOD Set11.2: A 57 HIS : no HE2:sc= -0.817! C(o=0.11!,f=-8.3!) USER MOD Set12.1: A 13 SER OG : rot -130:sc= 1.72 USER MOD Set12.2: A 19 THR OG1 : rot -144:sc= 1.3 USER MOD Set12.3: A 100 CYS SG : rot 130:sc= 1.82 USER MOD Set13.1: A 7 THR OG1 : rot -168:sc= -0.186 USER MOD Set13.2: B 97 ASN : amide:sc= 1.11 K(o=0.92,f=-3.7!) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.1) USER MOD Single : A 14 MET CE :methyl 158:sc= -0.179 (180deg=-0.694) USER MOD Single : A 17 LYS NZ :NH3+ -144:sc= 1.11 (180deg=-0.00505!) USER MOD Single : A 20 TYR OH : rot -30:sc= 0 USER MOD Single : A 21 CYS SG : rot 110:sc= -1.86! USER MOD Single : A 26 THR OG1 : rot 84:sc= 0.867 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.074) USER MOD Single : A 40 SER OG : rot 108:sc= 1.34 USER MOD Single : A 46 HIS : no HE2:sc= -0.834 K(o=-0.68,f=-7.5!) USER MOD Single : A 50 SER OG : rot 90:sc= 0.0439 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 54 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.02) USER MOD Single : A 56 SER OG : rot 80:sc= 1.31 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 79:sc= 1.3 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 174:sc= 0 (180deg=-0.0375) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc=-0.00131 (180deg=-0.1) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0.976 K(o=0.98,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.37 K(o=-0.37,f=-6.9!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 7 CYS SG : rot 23:sc= 0.00202 USER MOD Single : B 8 GLN : amide:sc= -0.438 K(o=-0.44,f=-9.3!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : B 17 ASN : amide:sc= 0.107 K(o=0.11,f=-8.2!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : B 27 HIS : no HD1:sc= 0.434 K(o=0.43,f=-4!) USER MOD Single : B 29 CYS SG : rot 94:sc= 0.929 USER MOD Single : B 32 THR OG1 : rot 74:sc= 0.867 USER MOD Single : B 36 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.0042) USER MOD Single : B 38 GLN : amide:sc= 0.773 K(o=0.77,f=-5.9!) USER MOD Single : B 43 LYS NZ :NH3+ -162:sc= 1.03 (180deg=-0.224!) USER MOD Single : B 44 ASN : amide:sc= 0.64 K(o=0.64,f=-0.014) USER MOD Single : B 49 CYS SG : rot 83:sc= -0.448 USER MOD Single : B 50 HIS : no HE2:sc= 0.624 K(o=0.62,f=-5.3!) USER MOD Single : B 54 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.4!) USER MOD Single : B 55 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.9) USER MOD Single : B 60 SER OG : rot 79:sc= 1.09 USER MOD Single : B 62 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.048) USER MOD Single : B 63 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -161:sc= 1.21 (180deg=1.18) USER MOD Single : B 75 MET CE :methyl 163:sc= -0.0733 (180deg=-0.485) USER MOD Single : B 80 SER OG : rot -59:sc= -0.234 USER MOD Single : B 81 LYS NZ :NH3+ 173:sc= 1.33 (180deg=1.16) USER MOD Single : B 82 ASN : amide:sc= 1.17 K(o=1.2,f=-0.37) USER MOD Single : B 90 THR OG1 : rot -132:sc= 0.458 USER MOD Single : B 94 THR OG1 : rot -119:sc= 1.1 USER MOD Single : B 96 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.075) USER MOD Single : B 99 TYR OH : rot -122:sc= 0.907 USER MOD Single : B 100 SER OG : rot 88:sc= 0.271 USER MOD Single : B 105 TYR OH : rot 1:sc= 0.576 USER MOD Single : B 111 THR OG1 : rot 180:sc= 0 USER MOD Single : B 112 ASN : amide:sc= 1.21 K(o=1.2,f=-6.9!) USER MOD Single : B 114 LYS NZ :NH3+ 138:sc= 1.24 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -10.142 13.010 0.035 1.00 0.00 N ATOM 2 CA LYS A 6 -8.856 12.510 0.568 1.00 0.00 C ATOM 3 C LYS A 6 -8.648 11.055 0.158 1.00 0.00 C ATOM 4 O LYS A 6 -9.464 10.195 0.486 1.00 0.00 O ATOM 5 CB LYS A 6 -8.846 12.633 2.100 1.00 0.00 C ATOM 6 CG LYS A 6 -7.495 12.349 2.740 1.00 0.00 C ATOM 7 CD LYS A 6 -7.542 12.536 4.252 1.00 0.00 C ATOM 8 CE LYS A 6 -6.154 12.447 4.867 1.00 0.00 C ATOM 9 NZ LYS A 6 -6.172 12.651 6.341 1.00 0.00 N ATOM 0 HA LYS A 6 -8.043 13.109 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.161 13.640 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.583 11.945 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.189 11.329 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.743 13.013 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.984 13.504 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.187 11.776 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.722 11.471 4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.507 13.195 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.214 12.885 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.819 13.431 6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.496 11.780 6.808 1.00 0.00 H new ATOM 25 N THR A 7 -7.571 10.792 -0.581 1.00 0.00 N ATOM 26 CA THR A 7 -7.248 9.439 -1.028 1.00 0.00 C ATOM 27 C THR A 7 -7.011 8.512 0.170 1.00 0.00 C ATOM 28 O THR A 7 -6.547 8.956 1.224 1.00 0.00 O ATOM 29 CB THR A 7 -6.001 9.454 -1.938 1.00 0.00 C ATOM 30 OG1 THR A 7 -6.145 10.470 -2.937 1.00 0.00 O ATOM 31 CG2 THR A 7 -5.792 8.109 -2.618 1.00 0.00 C ATOM 0 H THR A 7 -6.905 11.503 -0.884 1.00 0.00 H new ATOM 0 HA THR A 7 -8.096 9.060 -1.598 1.00 0.00 H new ATOM 0 HB THR A 7 -5.133 9.662 -1.313 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.453 10.356 -3.621 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.906 8.155 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.658 7.336 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.662 7.871 -3.229 1.00 0.00 H new ATOM 39 N PHE A 8 -7.335 7.234 0.004 1.00 0.00 N ATOM 40 CA PHE A 8 -7.177 6.246 1.065 1.00 0.00 C ATOM 41 C PHE A 8 -6.482 4.989 0.534 1.00 0.00 C ATOM 42 O PHE A 8 -6.793 4.513 -0.554 1.00 0.00 O ATOM 43 CB PHE A 8 -8.559 5.905 1.641 1.00 0.00 C ATOM 44 CG PHE A 8 -8.606 4.650 2.468 1.00 0.00 C ATOM 45 CD1 PHE A 8 -8.066 4.620 3.741 1.00 0.00 C ATOM 46 CD2 PHE A 8 -9.198 3.501 1.970 1.00 0.00 C ATOM 47 CE1 PHE A 8 -8.113 3.467 4.499 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.247 2.346 2.724 1.00 0.00 C ATOM 49 CZ PHE A 8 -8.703 2.329 3.990 1.00 0.00 C ATOM 0 H PHE A 8 -7.712 6.855 -0.865 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.550 6.659 1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.897 6.740 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.266 5.807 0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.603 5.508 4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.627 3.509 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.687 3.456 5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.711 1.457 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.739 1.427 4.582 1.00 0.00 H new ATOM 59 N LEU A 9 -5.531 4.463 1.296 1.00 0.00 N ATOM 60 CA LEU A 9 -4.807 3.261 0.892 1.00 0.00 C ATOM 61 C LEU A 9 -5.376 2.031 1.598 1.00 0.00 C ATOM 62 O LEU A 9 -5.641 2.055 2.798 1.00 0.00 O ATOM 63 CB LEU A 9 -3.309 3.413 1.201 1.00 0.00 C ATOM 64 CG LEU A 9 -2.361 2.482 0.429 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.135 1.186 1.190 1.00 0.00 C ATOM 66 CD2 LEU A 9 -2.898 2.196 -0.969 1.00 0.00 C ATOM 0 H LEU A 9 -5.242 4.848 2.196 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.929 3.127 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.019 4.444 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.160 3.246 2.268 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.402 2.990 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.461 0.544 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.694 1.407 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.088 0.676 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.209 1.535 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.874 1.717 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.995 3.132 -1.520 1.00 0.00 H new ATOM 78 N SER A 10 -5.569 0.957 0.850 1.00 0.00 N ATOM 79 CA SER A 10 -6.107 -0.264 1.416 1.00 0.00 C ATOM 80 C SER A 10 -5.421 -1.490 0.819 1.00 0.00 C ATOM 81 O SER A 10 -5.363 -1.649 -0.398 1.00 0.00 O ATOM 82 CB SER A 10 -7.616 -0.335 1.165 1.00 0.00 C ATOM 83 OG SER A 10 -8.275 -1.067 2.185 1.00 0.00 O ATOM 0 H SER A 10 -5.361 0.908 -0.147 1.00 0.00 H new ATOM 0 HA SER A 10 -5.920 -0.256 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.026 0.674 1.116 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.804 -0.803 0.199 1.00 0.00 H new ATOM 0 HG SER A 10 -8.633 -1.899 1.811 1.00 0.00 H new ATOM 89 N ARG A 11 -4.891 -2.350 1.677 1.00 0.00 N ATOM 90 CA ARG A 11 -4.236 -3.568 1.225 1.00 0.00 C ATOM 91 C ARG A 11 -5.131 -4.758 1.527 1.00 0.00 C ATOM 92 O ARG A 11 -5.518 -4.972 2.676 1.00 0.00 O ATOM 93 CB ARG A 11 -2.878 -3.757 1.902 1.00 0.00 C ATOM 94 CG ARG A 11 -1.937 -2.580 1.729 1.00 0.00 C ATOM 95 CD ARG A 11 -0.492 -2.992 1.945 1.00 0.00 C ATOM 96 NE ARG A 11 0.104 -3.546 0.731 1.00 0.00 N ATOM 97 CZ ARG A 11 0.892 -4.618 0.703 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.176 -5.269 1.823 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.397 -5.035 -0.452 1.00 0.00 N ATOM 0 H ARG A 11 -4.902 -2.227 2.689 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.066 -3.489 0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.035 -3.931 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.403 -4.652 1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.053 -2.163 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.202 -1.793 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.087 -2.128 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.441 -3.731 2.744 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.097 -3.080 -0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.790 -4.949 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.780 -6.090 1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.181 -4.534 -1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.001 -5.856 -0.478 1.00 0.00 H new ATOM 113 N HIS A 12 -5.481 -5.511 0.496 1.00 0.00 N ATOM 114 CA HIS A 12 -6.345 -6.671 0.665 1.00 0.00 C ATOM 115 C HIS A 12 -5.664 -7.916 0.121 1.00 0.00 C ATOM 116 O HIS A 12 -5.099 -7.888 -0.964 1.00 0.00 O ATOM 117 CB HIS A 12 -7.688 -6.451 -0.044 1.00 0.00 C ATOM 118 CG HIS A 12 -8.500 -5.333 0.534 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.655 -5.532 1.256 1.00 0.00 N ATOM 120 CD2 HIS A 12 -8.315 -3.995 0.491 1.00 0.00 C ATOM 121 CE1 HIS A 12 -10.141 -4.366 1.633 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.347 -3.414 1.183 1.00 0.00 N ATOM 0 H HIS A 12 -5.182 -5.341 -0.464 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.534 -6.808 1.730 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.502 -6.246 -1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.269 -7.372 0.004 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -10.070 -6.440 1.466 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.503 -3.478 0.001 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.039 -4.216 2.213 1.00 0.00 H new ATOM 131 N SER A 13 -5.703 -8.999 0.877 1.00 0.00 N ATOM 132 CA SER A 13 -5.075 -10.242 0.448 1.00 0.00 C ATOM 133 C SER A 13 -6.036 -11.417 0.591 1.00 0.00 C ATOM 134 O SER A 13 -6.997 -11.348 1.359 1.00 0.00 O ATOM 135 CB SER A 13 -3.806 -10.503 1.266 1.00 0.00 C ATOM 136 OG SER A 13 -2.983 -9.348 1.314 1.00 0.00 O ATOM 0 H SER A 13 -6.160 -9.046 1.788 1.00 0.00 H new ATOM 0 HA SER A 13 -4.809 -10.142 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.077 -10.802 2.278 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.250 -11.331 0.827 1.00 0.00 H new ATOM 0 HG SER A 13 -2.064 -9.591 1.074 1.00 0.00 H new ATOM 142 N MET A 14 -5.773 -12.480 -0.173 1.00 0.00 N ATOM 143 CA MET A 14 -6.581 -13.703 -0.150 1.00 0.00 C ATOM 144 C MET A 14 -8.066 -13.415 -0.377 1.00 0.00 C ATOM 145 O MET A 14 -8.481 -13.070 -1.482 1.00 0.00 O ATOM 146 CB MET A 14 -6.390 -14.449 1.176 1.00 0.00 C ATOM 147 CG MET A 14 -5.029 -15.107 1.328 1.00 0.00 C ATOM 148 SD MET A 14 -4.858 -15.982 2.897 1.00 0.00 S ATOM 149 CE MET A 14 -6.127 -17.236 2.719 1.00 0.00 C ATOM 0 H MET A 14 -4.991 -12.517 -0.827 1.00 0.00 H new ATOM 0 HA MET A 14 -6.235 -14.331 -0.971 1.00 0.00 H new ATOM 0 HB2 MET A 14 -6.537 -13.749 1.999 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.163 -15.213 1.265 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.873 -15.806 0.507 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.251 -14.347 1.252 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.908 -18.072 3.383 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.097 -16.811 2.978 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.148 -17.588 1.688 1.00 0.00 H new ATOM 159 N ASP A 15 -8.849 -13.530 0.689 1.00 0.00 N ATOM 160 CA ASP A 15 -10.294 -13.308 0.646 1.00 0.00 C ATOM 161 C ASP A 15 -10.636 -11.824 0.684 1.00 0.00 C ATOM 162 O ASP A 15 -11.683 -11.434 1.201 1.00 0.00 O ATOM 163 CB ASP A 15 -10.958 -14.016 1.828 1.00 0.00 C ATOM 164 CG ASP A 15 -10.258 -13.724 3.144 1.00 0.00 C ATOM 165 OD1 ASP A 15 -9.164 -14.282 3.374 1.00 0.00 O ATOM 166 OD2 ASP A 15 -10.792 -12.943 3.956 1.00 0.00 O ATOM 0 H ASP A 15 -8.500 -13.781 1.614 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.668 -13.716 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.000 -13.704 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.959 -15.091 1.650 1.00 0.00 H new ATOM 171 N MET A 16 -9.747 -11.004 0.133 1.00 0.00 N ATOM 172 CA MET A 16 -9.937 -9.558 0.089 1.00 0.00 C ATOM 173 C MET A 16 -10.001 -8.977 1.499 1.00 0.00 C ATOM 174 O MET A 16 -10.624 -7.940 1.725 1.00 0.00 O ATOM 175 CB MET A 16 -11.212 -9.204 -0.689 1.00 0.00 C ATOM 176 CG MET A 16 -11.201 -7.811 -1.297 1.00 0.00 C ATOM 177 SD MET A 16 -10.024 -7.651 -2.654 1.00 0.00 S ATOM 178 CE MET A 16 -10.324 -5.961 -3.167 1.00 0.00 C ATOM 0 H MET A 16 -8.877 -11.322 -0.294 1.00 0.00 H new ATOM 0 HA MET A 16 -9.082 -9.120 -0.426 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.354 -9.935 -1.485 1.00 0.00 H new ATOM 0 HB3 MET A 16 -12.069 -9.290 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 16 -12.201 -7.569 -1.658 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.957 -7.083 -0.523 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.669 -5.712 -4.002 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.363 -5.854 -3.477 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.123 -5.287 -2.334 1.00 0.00 H new ATOM 188 N LYS A 17 -9.353 -9.645 2.444 1.00 0.00 N ATOM 189 CA LYS A 17 -9.340 -9.178 3.824 1.00 0.00 C ATOM 190 C LYS A 17 -8.366 -8.017 3.976 1.00 0.00 C ATOM 191 O LYS A 17 -7.563 -7.754 3.082 1.00 0.00 O ATOM 192 CB LYS A 17 -8.975 -10.306 4.793 1.00 0.00 C ATOM 193 CG LYS A 17 -7.759 -11.119 4.375 1.00 0.00 C ATOM 194 CD LYS A 17 -7.053 -11.729 5.578 1.00 0.00 C ATOM 195 CE LYS A 17 -8.023 -12.456 6.499 1.00 0.00 C ATOM 196 NZ LYS A 17 -8.516 -13.727 5.906 1.00 0.00 N ATOM 0 H LYS A 17 -8.832 -10.507 2.282 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.345 -8.837 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.790 -9.878 5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.829 -10.976 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.067 -11.911 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.064 -10.481 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.288 -12.425 5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.543 -10.944 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.531 -12.667 7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.871 -11.806 6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.510 -13.873 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.441 -13.679 4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.942 -14.520 6.258 1.00 0.00 H new ATOM 210 N PHE A 18 -8.427 -7.334 5.109 1.00 0.00 N ATOM 211 CA PHE A 18 -7.559 -6.191 5.354 1.00 0.00 C ATOM 212 C PHE A 18 -6.200 -6.621 5.896 1.00 0.00 C ATOM 213 O PHE A 18 -6.080 -7.043 7.048 1.00 0.00 O ATOM 214 CB PHE A 18 -8.213 -5.218 6.337 1.00 0.00 C ATOM 215 CG PHE A 18 -9.299 -4.373 5.732 1.00 0.00 C ATOM 216 CD1 PHE A 18 -10.612 -4.816 5.707 1.00 0.00 C ATOM 217 CD2 PHE A 18 -9.005 -3.131 5.195 1.00 0.00 C ATOM 218 CE1 PHE A 18 -11.609 -4.035 5.155 1.00 0.00 C ATOM 219 CE2 PHE A 18 -9.999 -2.346 4.641 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.302 -2.797 4.622 1.00 0.00 C ATOM 0 H PHE A 18 -9.067 -7.550 5.873 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.406 -5.693 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.630 -5.785 7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.445 -4.563 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.858 -5.782 6.123 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.987 -2.771 5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.628 -4.392 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.755 -1.380 4.223 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.081 -2.185 4.192 1.00 0.00 H new ATOM 230 N THR A 19 -5.182 -6.537 5.052 1.00 0.00 N ATOM 231 CA THR A 19 -3.827 -6.875 5.455 1.00 0.00 C ATOM 232 C THR A 19 -3.155 -5.639 6.046 1.00 0.00 C ATOM 233 O THR A 19 -2.256 -5.728 6.887 1.00 0.00 O ATOM 234 CB THR A 19 -3.004 -7.390 4.260 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.845 -7.491 3.100 1.00 0.00 O ATOM 236 CG2 THR A 19 -2.387 -8.747 4.572 1.00 0.00 C ATOM 0 H THR A 19 -5.270 -6.237 4.081 1.00 0.00 H new ATOM 0 HA THR A 19 -3.875 -7.668 6.201 1.00 0.00 H new ATOM 0 HB THR A 19 -2.198 -6.683 4.064 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.582 -8.274 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.810 -9.091 3.713 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.731 -8.658 5.438 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.178 -9.465 4.789 1.00 0.00 H new ATOM 244 N TYR A 20 -3.619 -4.483 5.586 1.00 0.00 N ATOM 245 CA TYR A 20 -3.124 -3.193 6.041 1.00 0.00 C ATOM 246 C TYR A 20 -4.094 -2.109 5.602 1.00 0.00 C ATOM 247 O TYR A 20 -4.477 -2.046 4.433 1.00 0.00 O ATOM 248 CB TYR A 20 -1.725 -2.897 5.490 1.00 0.00 C ATOM 249 CG TYR A 20 -1.206 -1.523 5.865 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.895 -1.209 7.184 1.00 0.00 C ATOM 251 CD2 TYR A 20 -1.039 -0.536 4.901 1.00 0.00 C ATOM 252 CE1 TYR A 20 -0.431 0.048 7.528 1.00 0.00 C ATOM 253 CE2 TYR A 20 -0.577 0.722 5.238 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.274 1.009 6.552 1.00 0.00 C ATOM 255 OH TYR A 20 0.184 2.262 6.889 1.00 0.00 O ATOM 0 H TYR A 20 -4.354 -4.416 4.882 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.050 -3.215 7.128 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.031 -3.652 5.859 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.745 -2.985 4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.018 -1.959 7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.274 -0.756 3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.193 0.276 8.557 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.454 1.477 4.476 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.094 2.477 7.804 1.00 0.00 H new ATOM 265 N CYS A 21 -4.500 -1.270 6.535 1.00 0.00 N ATOM 266 CA CYS A 21 -5.432 -0.201 6.236 1.00 0.00 C ATOM 267 C CYS A 21 -4.810 1.151 6.552 1.00 0.00 C ATOM 268 O CYS A 21 -4.073 1.287 7.529 1.00 0.00 O ATOM 269 CB CYS A 21 -6.717 -0.393 7.045 1.00 0.00 C ATOM 270 SG CYS A 21 -6.918 -2.064 7.710 1.00 0.00 S ATOM 0 H CYS A 21 -4.198 -1.308 7.509 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.671 -0.230 5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.726 0.320 7.870 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.573 -0.159 6.412 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.773 -2.037 9.002 1.00 0.00 H new ATOM 276 N ASP A 22 -5.079 2.131 5.702 1.00 0.00 N ATOM 277 CA ASP A 22 -4.574 3.482 5.901 1.00 0.00 C ATOM 278 C ASP A 22 -5.256 4.095 7.118 1.00 0.00 C ATOM 279 O ASP A 22 -6.413 3.784 7.405 1.00 0.00 O ATOM 280 CB ASP A 22 -4.853 4.331 4.656 1.00 0.00 C ATOM 281 CG ASP A 22 -4.040 5.607 4.592 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.094 6.401 5.553 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.350 5.822 3.573 1.00 0.00 O ATOM 0 H ASP A 22 -5.647 2.015 4.863 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.497 3.451 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.647 3.735 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.913 4.585 4.631 1.00 0.00 H new ATOM 288 N ASP A 23 -4.552 4.971 7.818 1.00 0.00 N ATOM 289 CA ASP A 23 -5.088 5.621 9.010 1.00 0.00 C ATOM 290 C ASP A 23 -6.275 6.517 8.663 1.00 0.00 C ATOM 291 O ASP A 23 -7.024 6.946 9.541 1.00 0.00 O ATOM 292 CB ASP A 23 -3.996 6.438 9.710 1.00 0.00 C ATOM 293 CG ASP A 23 -3.368 7.486 8.807 1.00 0.00 C ATOM 294 OD1 ASP A 23 -3.890 8.619 8.744 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.334 7.184 8.166 1.00 0.00 O ATOM 0 H ASP A 23 -3.600 5.252 7.581 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.437 4.842 9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.422 6.929 10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.219 5.763 10.069 1.00 0.00 H new ATOM 300 N ARG A 24 -6.448 6.784 7.377 1.00 0.00 N ATOM 301 CA ARG A 24 -7.540 7.621 6.903 1.00 0.00 C ATOM 302 C ARG A 24 -8.877 6.881 6.928 1.00 0.00 C ATOM 303 O ARG A 24 -9.930 7.488 6.728 1.00 0.00 O ATOM 304 CB ARG A 24 -7.241 8.110 5.490 1.00 0.00 C ATOM 305 CG ARG A 24 -5.994 8.965 5.418 1.00 0.00 C ATOM 306 CD ARG A 24 -5.313 8.853 4.068 1.00 0.00 C ATOM 307 NE ARG A 24 -4.020 9.526 4.065 1.00 0.00 N ATOM 308 CZ ARG A 24 -3.666 10.445 3.174 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.488 10.753 2.179 1.00 0.00 N ATOM 310 NH2 ARG A 24 -2.486 11.045 3.266 1.00 0.00 N ATOM 0 H ARG A 24 -5.841 6.430 6.638 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.623 8.473 7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.126 7.251 4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.091 8.684 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.255 10.006 5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.300 8.662 6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.178 7.802 3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.952 9.287 3.300 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.347 9.276 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.390 10.284 2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.218 11.459 1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.847 10.801 4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.218 11.750 2.580 1.00 0.00 H new ATOM 324 N ILE A 25 -8.845 5.574 7.183 1.00 0.00 N ATOM 325 CA ILE A 25 -10.074 4.785 7.225 1.00 0.00 C ATOM 326 C ILE A 25 -10.934 5.194 8.420 1.00 0.00 C ATOM 327 O ILE A 25 -12.159 5.059 8.392 1.00 0.00 O ATOM 328 CB ILE A 25 -9.792 3.263 7.267 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.081 2.481 7.013 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.172 2.855 8.592 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.847 1.078 6.501 1.00 0.00 C ATOM 0 H ILE A 25 -7.992 5.044 7.362 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.618 4.992 6.303 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.076 3.028 6.479 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.654 2.430 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.690 3.025 6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.986 1.781 8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.231 3.386 8.732 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.854 3.104 9.405 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.806 0.584 6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.302 1.121 5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.265 0.516 7.232 1.00 0.00 H new ATOM 343 N THR A 26 -10.292 5.722 9.454 1.00 0.00 N ATOM 344 CA THR A 26 -10.996 6.170 10.645 1.00 0.00 C ATOM 345 C THR A 26 -11.785 7.441 10.345 1.00 0.00 C ATOM 346 O THR A 26 -12.752 7.770 11.035 1.00 0.00 O ATOM 347 CB THR A 26 -10.009 6.430 11.795 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.747 5.815 11.493 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.548 5.874 13.106 1.00 0.00 C ATOM 0 H THR A 26 -9.281 5.850 9.490 1.00 0.00 H new ATOM 0 HA THR A 26 -11.686 5.383 10.949 1.00 0.00 H new ATOM 0 HB THR A 26 -9.878 7.507 11.904 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.220 6.413 10.923 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.833 6.069 13.905 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.497 6.355 13.342 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.700 4.799 13.010 1.00 0.00 H new ATOM 357 N GLU A 27 -11.368 8.142 9.297 1.00 0.00 N ATOM 358 CA GLU A 27 -12.027 9.372 8.883 1.00 0.00 C ATOM 359 C GLU A 27 -13.232 9.055 8.005 1.00 0.00 C ATOM 360 O GLU A 27 -14.261 9.725 8.072 1.00 0.00 O ATOM 361 CB GLU A 27 -11.054 10.262 8.102 1.00 0.00 C ATOM 362 CG GLU A 27 -9.722 10.498 8.799 1.00 0.00 C ATOM 363 CD GLU A 27 -8.781 11.348 7.967 1.00 0.00 C ATOM 364 OE1 GLU A 27 -9.169 12.475 7.591 1.00 0.00 O ATOM 365 OE2 GLU A 27 -7.655 10.896 7.678 1.00 0.00 O ATOM 0 H GLU A 27 -10.572 7.877 8.717 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.359 9.899 9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.866 9.808 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.530 11.225 7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.897 10.986 9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.250 9.539 9.011 1.00 0.00 H new ATOM 372 N LEU A 28 -13.097 8.022 7.187 1.00 0.00 N ATOM 373 CA LEU A 28 -14.160 7.620 6.275 1.00 0.00 C ATOM 374 C LEU A 28 -15.138 6.654 6.937 1.00 0.00 C ATOM 375 O LEU A 28 -16.267 7.019 7.260 1.00 0.00 O ATOM 376 CB LEU A 28 -13.554 6.968 5.031 1.00 0.00 C ATOM 377 CG LEU A 28 -12.462 7.783 4.337 1.00 0.00 C ATOM 378 CD1 LEU A 28 -11.720 6.925 3.325 1.00 0.00 C ATOM 379 CD2 LEU A 28 -13.059 9.010 3.666 1.00 0.00 C ATOM 0 H LEU A 28 -12.258 7.444 7.135 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.714 8.515 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.139 6.000 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.353 6.776 4.315 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.749 8.118 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.946 7.521 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.260 6.078 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.421 6.560 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.268 9.578 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.793 8.698 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.544 9.635 4.416 1.00 0.00 H new ATOM 391 N ILE A 29 -14.689 5.426 7.145 1.00 0.00 N ATOM 392 CA ILE A 29 -15.521 4.393 7.740 1.00 0.00 C ATOM 393 C ILE A 29 -15.664 4.589 9.247 1.00 0.00 C ATOM 394 O ILE A 29 -16.763 4.493 9.792 1.00 0.00 O ATOM 395 CB ILE A 29 -14.939 2.993 7.445 1.00 0.00 C ATOM 396 CG1 ILE A 29 -15.003 2.704 5.943 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.680 1.919 8.228 1.00 0.00 C ATOM 398 CD1 ILE A 29 -14.408 1.369 5.553 1.00 0.00 C ATOM 0 H ILE A 29 -13.745 5.119 6.908 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.512 4.471 7.292 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.896 2.979 7.762 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -16.044 2.736 5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.479 3.495 5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.251 0.943 8.002 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.588 2.118 9.296 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.733 1.926 7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.490 1.235 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.358 1.340 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.947 0.568 6.060 1.00 0.00 H new ATOM 410 N GLY A 30 -14.556 4.868 9.913 1.00 0.00 N ATOM 411 CA GLY A 30 -14.590 5.064 11.348 1.00 0.00 C ATOM 412 C GLY A 30 -13.935 3.919 12.088 1.00 0.00 C ATOM 413 O GLY A 30 -13.788 3.956 13.307 1.00 0.00 O ATOM 0 H GLY A 30 -13.634 4.963 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.084 5.996 11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.624 5.164 11.677 1.00 0.00 H new ATOM 417 N TYR A 31 -13.547 2.896 11.340 1.00 0.00 N ATOM 418 CA TYR A 31 -12.893 1.726 11.908 1.00 0.00 C ATOM 419 C TYR A 31 -11.403 1.990 12.047 1.00 0.00 C ATOM 420 O TYR A 31 -10.822 2.707 11.233 1.00 0.00 O ATOM 421 CB TYR A 31 -13.100 0.507 11.005 1.00 0.00 C ATOM 422 CG TYR A 31 -14.310 -0.337 11.345 1.00 0.00 C ATOM 423 CD1 TYR A 31 -14.532 -0.786 12.640 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.223 -0.695 10.363 1.00 0.00 C ATOM 425 CE1 TYR A 31 -15.633 -1.567 12.945 1.00 0.00 C ATOM 426 CE2 TYR A 31 -16.323 -1.474 10.659 1.00 0.00 C ATOM 427 CZ TYR A 31 -16.524 -1.907 11.950 1.00 0.00 C ATOM 428 OH TYR A 31 -17.621 -2.686 12.246 1.00 0.00 O ATOM 0 H TYR A 31 -13.675 2.853 10.329 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.329 1.526 12.887 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.190 0.848 9.974 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.211 -0.121 11.056 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.835 -0.522 13.421 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.070 -0.358 9.349 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.793 -1.908 13.957 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.023 -1.743 9.881 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.148 -2.832 11.432 1.00 0.00 H new ATOM 438 N HIS A 32 -10.787 1.432 13.077 1.00 0.00 N ATOM 439 CA HIS A 32 -9.357 1.604 13.274 1.00 0.00 C ATOM 440 C HIS A 32 -8.616 0.581 12.418 1.00 0.00 C ATOM 441 O HIS A 32 -8.954 -0.601 12.441 1.00 0.00 O ATOM 442 CB HIS A 32 -8.980 1.442 14.750 1.00 0.00 C ATOM 443 CG HIS A 32 -7.775 2.238 15.150 1.00 0.00 C ATOM 444 ND1 HIS A 32 -7.858 3.463 15.775 1.00 0.00 N ATOM 445 CD2 HIS A 32 -6.453 1.982 15.007 1.00 0.00 C ATOM 446 CE1 HIS A 32 -6.642 3.927 15.995 1.00 0.00 C ATOM 447 NE2 HIS A 32 -5.774 3.046 15.541 1.00 0.00 N ATOM 0 H HIS A 32 -11.250 0.861 13.784 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.073 2.612 12.973 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.826 1.743 15.368 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.794 0.388 14.956 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.015 1.103 14.556 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.400 4.868 16.467 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.759 3.141 15.581 1.00 0.00 H new ATOM 456 N PRO A 33 -7.606 1.021 11.649 1.00 0.00 N ATOM 457 CA PRO A 33 -6.828 0.141 10.765 1.00 0.00 C ATOM 458 C PRO A 33 -6.371 -1.158 11.434 1.00 0.00 C ATOM 459 O PRO A 33 -6.555 -2.243 10.876 1.00 0.00 O ATOM 460 CB PRO A 33 -5.624 0.998 10.390 1.00 0.00 C ATOM 461 CG PRO A 33 -6.123 2.398 10.464 1.00 0.00 C ATOM 462 CD PRO A 33 -7.147 2.421 11.566 1.00 0.00 C ATOM 0 HA PRO A 33 -7.426 -0.193 9.917 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.793 0.836 11.077 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.263 0.758 9.390 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.308 3.091 10.675 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.565 2.704 9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.713 2.756 12.508 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.969 3.098 11.334 1.00 0.00 H new ATOM 470 N GLU A 34 -5.787 -1.045 12.624 1.00 0.00 N ATOM 471 CA GLU A 34 -5.304 -2.213 13.364 1.00 0.00 C ATOM 472 C GLU A 34 -6.441 -3.180 13.708 1.00 0.00 C ATOM 473 O GLU A 34 -6.236 -4.390 13.782 1.00 0.00 O ATOM 474 CB GLU A 34 -4.604 -1.779 14.652 1.00 0.00 C ATOM 475 CG GLU A 34 -3.480 -0.779 14.443 1.00 0.00 C ATOM 476 CD GLU A 34 -2.355 -1.316 13.580 1.00 0.00 C ATOM 477 OE1 GLU A 34 -1.574 -2.160 14.073 1.00 0.00 O ATOM 478 OE2 GLU A 34 -2.240 -0.889 12.412 1.00 0.00 O ATOM 0 H GLU A 34 -5.635 -0.155 13.099 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.596 -2.731 12.717 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.343 -1.343 15.325 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.202 -2.662 15.149 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.885 0.122 13.982 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.077 -0.487 15.413 1.00 0.00 H new ATOM 485 N GLU A 35 -7.642 -2.642 13.888 1.00 0.00 N ATOM 486 CA GLU A 35 -8.808 -3.449 14.243 1.00 0.00 C ATOM 487 C GLU A 35 -9.341 -4.220 13.037 1.00 0.00 C ATOM 488 O GLU A 35 -10.227 -5.065 13.169 1.00 0.00 O ATOM 489 CB GLU A 35 -9.909 -2.553 14.811 1.00 0.00 C ATOM 490 CG GLU A 35 -10.239 -2.835 16.266 1.00 0.00 C ATOM 491 CD GLU A 35 -10.930 -4.166 16.454 1.00 0.00 C ATOM 492 OE1 GLU A 35 -12.166 -4.226 16.292 1.00 0.00 O ATOM 493 OE2 GLU A 35 -10.243 -5.158 16.772 1.00 0.00 O ATOM 0 H GLU A 35 -7.836 -1.645 13.794 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.498 -4.172 14.998 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.604 -1.511 14.713 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.811 -2.678 14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.321 -2.820 16.853 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.877 -2.040 16.651 1.00 0.00 H new ATOM 500 N LEU A 36 -8.810 -3.922 11.863 1.00 0.00 N ATOM 501 CA LEU A 36 -9.245 -4.590 10.648 1.00 0.00 C ATOM 502 C LEU A 36 -8.184 -5.562 10.144 1.00 0.00 C ATOM 503 O LEU A 36 -8.457 -6.392 9.279 1.00 0.00 O ATOM 504 CB LEU A 36 -9.563 -3.560 9.566 1.00 0.00 C ATOM 505 CG LEU A 36 -10.517 -2.443 9.994 1.00 0.00 C ATOM 506 CD1 LEU A 36 -10.570 -1.359 8.935 1.00 0.00 C ATOM 507 CD2 LEU A 36 -11.910 -2.994 10.258 1.00 0.00 C ATOM 0 H LEU A 36 -8.079 -3.224 11.726 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.146 -5.158 10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.629 -3.110 9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.995 -4.077 8.709 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.140 -2.009 10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.253 -0.572 9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.574 -0.940 8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.921 -1.785 7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.571 -2.182 10.561 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.296 -3.457 9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.862 -3.739 11.053 1.00 0.00 H new ATOM 519 N LEU A 37 -6.985 -5.468 10.703 1.00 0.00 N ATOM 520 CA LEU A 37 -5.879 -6.328 10.291 1.00 0.00 C ATOM 521 C LEU A 37 -6.179 -7.802 10.553 1.00 0.00 C ATOM 522 O LEU A 37 -6.321 -8.228 11.702 1.00 0.00 O ATOM 523 CB LEU A 37 -4.589 -5.937 11.018 1.00 0.00 C ATOM 524 CG LEU A 37 -4.153 -4.479 10.857 1.00 0.00 C ATOM 525 CD1 LEU A 37 -2.848 -4.239 11.597 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.007 -4.115 9.387 1.00 0.00 C ATOM 0 H LEU A 37 -6.751 -4.806 11.443 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.750 -6.188 9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.715 -6.144 12.081 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.784 -6.579 10.662 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.924 -3.840 11.287 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.547 -3.198 11.476 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.985 -4.456 12.656 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.074 -4.890 11.191 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.696 -3.074 9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.257 -4.758 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.963 -4.252 8.881 1.00 0.00 H new ATOM 538 N GLY A 38 -6.296 -8.567 9.476 1.00 0.00 N ATOM 539 CA GLY A 38 -6.544 -9.992 9.592 1.00 0.00 C ATOM 540 C GLY A 38 -8.009 -10.341 9.766 1.00 0.00 C ATOM 541 O GLY A 38 -8.357 -11.517 9.891 1.00 0.00 O ATOM 0 H GLY A 38 -6.223 -8.224 8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.163 -10.492 8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.983 -10.382 10.441 1.00 0.00 H new ATOM 545 N ARG A 39 -8.876 -9.338 9.767 1.00 0.00 N ATOM 546 CA ARG A 39 -10.299 -9.586 9.932 1.00 0.00 C ATOM 547 C ARG A 39 -10.962 -9.749 8.571 1.00 0.00 C ATOM 548 O ARG A 39 -10.487 -9.207 7.569 1.00 0.00 O ATOM 549 CB ARG A 39 -10.974 -8.460 10.729 1.00 0.00 C ATOM 550 CG ARG A 39 -11.412 -7.275 9.884 1.00 0.00 C ATOM 551 CD ARG A 39 -12.659 -6.622 10.450 1.00 0.00 C ATOM 552 NE ARG A 39 -12.452 -6.089 11.796 1.00 0.00 N ATOM 553 CZ ARG A 39 -13.444 -5.767 12.627 1.00 0.00 C ATOM 554 NH1 ARG A 39 -14.706 -5.977 12.272 1.00 0.00 N ATOM 555 NH2 ARG A 39 -13.171 -5.252 13.818 1.00 0.00 N ATOM 0 H ARG A 39 -8.622 -8.356 9.657 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.419 -10.510 10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.844 -8.866 11.244 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.284 -8.109 11.497 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.606 -6.543 9.836 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.604 -7.605 8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.975 -5.815 9.788 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.469 -7.351 10.472 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.493 -5.956 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.919 -6.386 11.362 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.463 -5.730 12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.202 -5.102 14.099 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.930 -5.006 14.453 1.00 0.00 H new ATOM 569 N SER A 40 -12.043 -10.510 8.539 1.00 0.00 N ATOM 570 CA SER A 40 -12.772 -10.744 7.310 1.00 0.00 C ATOM 571 C SER A 40 -13.476 -9.468 6.862 1.00 0.00 C ATOM 572 O SER A 40 -14.277 -8.889 7.604 1.00 0.00 O ATOM 573 CB SER A 40 -13.787 -11.865 7.516 1.00 0.00 C ATOM 574 OG SER A 40 -13.454 -12.652 8.650 1.00 0.00 O ATOM 0 H SER A 40 -12.435 -10.977 9.357 1.00 0.00 H new ATOM 0 HA SER A 40 -12.069 -11.042 6.532 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.783 -11.440 7.644 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.822 -12.497 6.628 1.00 0.00 H new ATOM 0 HG SER A 40 -14.089 -12.468 9.374 1.00 0.00 H new ATOM 580 N ALA A 41 -13.174 -9.033 5.652 1.00 0.00 N ATOM 581 CA ALA A 41 -13.771 -7.827 5.107 1.00 0.00 C ATOM 582 C ALA A 41 -15.181 -8.112 4.622 1.00 0.00 C ATOM 583 O ALA A 41 -16.042 -7.237 4.648 1.00 0.00 O ATOM 584 CB ALA A 41 -12.922 -7.273 3.975 1.00 0.00 C ATOM 0 H ALA A 41 -12.517 -9.499 5.026 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.818 -7.077 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.387 -6.369 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.926 -7.035 4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.843 -8.017 3.182 1.00 0.00 H new ATOM 590 N TYR A 42 -15.414 -9.357 4.209 1.00 0.00 N ATOM 591 CA TYR A 42 -16.722 -9.776 3.708 1.00 0.00 C ATOM 592 C TYR A 42 -17.805 -9.630 4.775 1.00 0.00 C ATOM 593 O TYR A 42 -18.989 -9.529 4.453 1.00 0.00 O ATOM 594 CB TYR A 42 -16.673 -11.226 3.215 1.00 0.00 C ATOM 595 CG TYR A 42 -15.935 -11.411 1.907 1.00 0.00 C ATOM 596 CD1 TYR A 42 -16.083 -10.505 0.864 1.00 0.00 C ATOM 597 CD2 TYR A 42 -15.097 -12.499 1.714 1.00 0.00 C ATOM 598 CE1 TYR A 42 -15.415 -10.678 -0.334 1.00 0.00 C ATOM 599 CE2 TYR A 42 -14.427 -12.681 0.520 1.00 0.00 C ATOM 600 CZ TYR A 42 -14.589 -11.768 -0.501 1.00 0.00 C ATOM 601 OH TYR A 42 -13.925 -11.952 -1.695 1.00 0.00 O ATOM 0 H TYR A 42 -14.711 -10.096 4.212 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.974 -9.122 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.197 -11.842 3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.693 -11.593 3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -16.731 -9.651 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -14.966 -13.216 2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.540 -9.963 -1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.779 -13.535 0.386 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.384 -12.768 -1.646 1.00 0.00 H new ATOM 611 N GLU A 43 -17.391 -9.609 6.039 1.00 0.00 N ATOM 612 CA GLU A 43 -18.322 -9.471 7.155 1.00 0.00 C ATOM 613 C GLU A 43 -19.101 -8.160 7.063 1.00 0.00 C ATOM 614 O GLU A 43 -20.292 -8.107 7.374 1.00 0.00 O ATOM 615 CB GLU A 43 -17.573 -9.515 8.486 1.00 0.00 C ATOM 616 CG GLU A 43 -16.929 -10.857 8.790 1.00 0.00 C ATOM 617 CD GLU A 43 -16.153 -10.848 10.093 1.00 0.00 C ATOM 618 OE1 GLU A 43 -16.304 -9.885 10.875 1.00 0.00 O ATOM 619 OE2 GLU A 43 -15.388 -11.804 10.346 1.00 0.00 O ATOM 0 H GLU A 43 -16.413 -9.686 6.317 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.023 -10.304 7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.801 -8.746 8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.266 -9.266 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -17.701 -11.625 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.259 -11.128 7.974 1.00 0.00 H new ATOM 626 N PHE A 44 -18.421 -7.108 6.627 1.00 0.00 N ATOM 627 CA PHE A 44 -19.036 -5.794 6.503 1.00 0.00 C ATOM 628 C PHE A 44 -18.784 -5.220 5.113 1.00 0.00 C ATOM 629 O PHE A 44 -18.761 -4.003 4.919 1.00 0.00 O ATOM 630 CB PHE A 44 -18.497 -4.846 7.589 1.00 0.00 C ATOM 631 CG PHE A 44 -17.030 -4.508 7.464 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.057 -5.455 7.745 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.628 -3.239 7.073 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.715 -5.145 7.635 1.00 0.00 C ATOM 635 CE2 PHE A 44 -15.287 -2.923 6.962 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.331 -3.877 7.245 1.00 0.00 C ATOM 0 H PHE A 44 -17.439 -7.140 6.352 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.112 -5.897 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -19.072 -3.921 7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.669 -5.299 8.565 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.352 -6.447 8.054 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.373 -2.488 6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.967 -5.893 7.854 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.988 -1.932 6.655 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.282 -3.632 7.162 1.00 0.00 H new ATOM 646 N TYR A 45 -18.617 -6.103 4.139 1.00 0.00 N ATOM 647 CA TYR A 45 -18.350 -5.679 2.774 1.00 0.00 C ATOM 648 C TYR A 45 -19.629 -5.241 2.079 1.00 0.00 C ATOM 649 O TYR A 45 -20.144 -5.938 1.203 1.00 0.00 O ATOM 650 CB TYR A 45 -17.660 -6.789 1.978 1.00 0.00 C ATOM 651 CG TYR A 45 -16.338 -6.361 1.382 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.692 -5.215 1.828 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.739 -7.099 0.372 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.486 -4.818 1.286 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.533 -6.709 -0.175 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.911 -5.568 0.285 1.00 0.00 C ATOM 657 OH TYR A 45 -12.713 -5.172 -0.262 1.00 0.00 O ATOM 0 H TYR A 45 -18.662 -7.114 4.269 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.676 -4.824 2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.496 -7.647 2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.322 -7.119 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.141 -4.624 2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.224 -7.993 0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.997 -3.925 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.079 -7.295 -0.960 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.827 -5.017 -1.223 1.00 0.00 H new ATOM 667 N HIS A 46 -20.128 -4.074 2.495 1.00 0.00 N ATOM 668 CA HIS A 46 -21.342 -3.471 1.938 1.00 0.00 C ATOM 669 C HIS A 46 -22.581 -4.226 2.410 1.00 0.00 C ATOM 670 O HIS A 46 -22.475 -5.249 3.085 1.00 0.00 O ATOM 671 CB HIS A 46 -21.305 -3.431 0.399 1.00 0.00 C ATOM 672 CG HIS A 46 -20.026 -2.901 -0.187 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.692 -3.048 -1.516 1.00 0.00 N ATOM 674 CD2 HIS A 46 -18.994 -2.233 0.383 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.517 -2.493 -1.738 1.00 0.00 C ATOM 676 NE2 HIS A 46 -18.071 -1.993 -0.600 1.00 0.00 N ATOM 0 H HIS A 46 -19.698 -3.517 3.233 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.389 -2.444 2.300 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.472 -4.439 0.019 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.133 -2.816 0.045 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -20.265 -3.514 -2.219 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -18.914 -1.943 1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.006 -2.454 -2.689 1.00 0.00 H new ATOM 685 N ALA A 47 -23.752 -3.710 2.063 1.00 0.00 N ATOM 686 CA ALA A 47 -25.007 -4.339 2.451 1.00 0.00 C ATOM 687 C ALA A 47 -25.706 -4.934 1.237 1.00 0.00 C ATOM 688 O ALA A 47 -25.911 -6.144 1.151 1.00 0.00 O ATOM 689 CB ALA A 47 -25.908 -3.332 3.144 1.00 0.00 C ATOM 0 H ALA A 47 -23.859 -2.857 1.513 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.788 -5.147 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.843 -3.815 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.410 -2.951 4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.119 -2.505 2.466 1.00 0.00 H new ATOM 695 N LEU A 48 -26.071 -4.075 0.296 1.00 0.00 N ATOM 696 CA LEU A 48 -26.736 -4.517 -0.919 1.00 0.00 C ATOM 697 C LEU A 48 -25.750 -4.480 -2.076 1.00 0.00 C ATOM 698 O LEU A 48 -26.066 -4.868 -3.201 1.00 0.00 O ATOM 699 CB LEU A 48 -27.954 -3.638 -1.230 1.00 0.00 C ATOM 700 CG LEU A 48 -27.646 -2.182 -1.598 1.00 0.00 C ATOM 701 CD1 LEU A 48 -28.706 -1.643 -2.546 1.00 0.00 C ATOM 702 CD2 LEU A 48 -27.562 -1.314 -0.348 1.00 0.00 C ATOM 0 H LEU A 48 -25.917 -3.068 0.352 1.00 0.00 H new ATOM 0 HA LEU A 48 -27.089 -5.538 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -28.506 -4.092 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.613 -3.643 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 48 -26.679 -2.152 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -28.475 -0.608 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -28.721 -2.244 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -29.683 -1.689 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -27.343 -0.285 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -28.513 -1.348 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.770 -1.687 0.301 1.00 0.00 H new ATOM 714 N ASP A 49 -24.543 -4.020 -1.775 1.00 0.00 N ATOM 715 CA ASP A 49 -23.481 -3.908 -2.764 1.00 0.00 C ATOM 716 C ASP A 49 -22.430 -4.984 -2.525 1.00 0.00 C ATOM 717 O ASP A 49 -21.260 -4.823 -2.885 1.00 0.00 O ATOM 718 CB ASP A 49 -22.823 -2.522 -2.695 1.00 0.00 C ATOM 719 CG ASP A 49 -23.756 -1.448 -2.166 1.00 0.00 C ATOM 720 OD1 ASP A 49 -23.966 -1.400 -0.933 1.00 0.00 O ATOM 721 OD2 ASP A 49 -24.275 -0.649 -2.979 1.00 0.00 O ATOM 0 H ASP A 49 -24.273 -3.715 -0.840 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.918 -4.042 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.941 -2.576 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.479 -2.239 -3.690 1.00 0.00 H new ATOM 726 N SER A 50 -22.850 -6.074 -1.901 1.00 0.00 N ATOM 727 CA SER A 50 -21.961 -7.185 -1.601 1.00 0.00 C ATOM 728 C SER A 50 -21.507 -7.871 -2.887 1.00 0.00 C ATOM 729 O SER A 50 -20.312 -8.109 -3.092 1.00 0.00 O ATOM 730 CB SER A 50 -22.676 -8.182 -0.690 1.00 0.00 C ATOM 731 OG SER A 50 -23.411 -7.503 0.314 1.00 0.00 O ATOM 0 H SER A 50 -23.811 -6.213 -1.590 1.00 0.00 H new ATOM 0 HA SER A 50 -21.077 -6.803 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 50 -23.347 -8.806 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.947 -8.847 -0.227 1.00 0.00 H new ATOM 0 HG SER A 50 -24.320 -7.330 -0.007 1.00 0.00 H new ATOM 737 N GLU A 51 -22.465 -8.161 -3.763 1.00 0.00 N ATOM 738 CA GLU A 51 -22.179 -8.808 -5.039 1.00 0.00 C ATOM 739 C GLU A 51 -21.250 -7.940 -5.876 1.00 0.00 C ATOM 740 O GLU A 51 -20.419 -8.446 -6.631 1.00 0.00 O ATOM 741 CB GLU A 51 -23.475 -9.078 -5.801 1.00 0.00 C ATOM 742 CG GLU A 51 -24.264 -10.256 -5.257 1.00 0.00 C ATOM 743 CD GLU A 51 -23.486 -11.553 -5.323 1.00 0.00 C ATOM 744 OE1 GLU A 51 -23.077 -11.948 -6.435 1.00 0.00 O ATOM 745 OE2 GLU A 51 -23.279 -12.182 -4.266 1.00 0.00 O ATOM 0 H GLU A 51 -23.453 -7.956 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.685 -9.759 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -24.100 -8.186 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -23.239 -9.262 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -24.544 -10.056 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -25.190 -10.362 -5.823 1.00 0.00 H new ATOM 752 N ASN A 52 -21.398 -6.630 -5.718 1.00 0.00 N ATOM 753 CA ASN A 52 -20.578 -5.659 -6.431 1.00 0.00 C ATOM 754 C ASN A 52 -19.095 -5.915 -6.179 1.00 0.00 C ATOM 755 O ASN A 52 -18.309 -6.034 -7.118 1.00 0.00 O ATOM 756 CB ASN A 52 -20.964 -4.237 -5.994 1.00 0.00 C ATOM 757 CG ASN A 52 -19.833 -3.232 -6.128 1.00 0.00 C ATOM 758 OD1 ASN A 52 -19.089 -2.986 -5.174 1.00 0.00 O ATOM 759 ND2 ASN A 52 -19.702 -2.643 -7.304 1.00 0.00 N ATOM 0 H ASN A 52 -22.088 -6.212 -5.094 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.758 -5.763 -7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.811 -3.900 -6.591 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -21.295 -4.262 -4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.963 -1.955 -7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.339 -2.877 -8.065 1.00 0.00 H new ATOM 766 N MET A 53 -18.723 -6.039 -4.912 1.00 0.00 N ATOM 767 CA MET A 53 -17.331 -6.277 -4.552 1.00 0.00 C ATOM 768 C MET A 53 -16.924 -7.707 -4.884 1.00 0.00 C ATOM 769 O MET A 53 -15.771 -7.971 -5.218 1.00 0.00 O ATOM 770 CB MET A 53 -17.098 -5.989 -3.068 1.00 0.00 C ATOM 771 CG MET A 53 -16.187 -4.796 -2.823 1.00 0.00 C ATOM 772 SD MET A 53 -14.492 -5.075 -3.377 1.00 0.00 S ATOM 773 CE MET A 53 -13.815 -3.419 -3.255 1.00 0.00 C ATOM 0 H MET A 53 -19.362 -5.979 -4.119 1.00 0.00 H new ATOM 0 HA MET A 53 -16.711 -5.597 -5.137 1.00 0.00 H new ATOM 0 HB2 MET A 53 -18.058 -5.809 -2.585 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.664 -6.871 -2.597 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.593 -3.925 -3.338 1.00 0.00 H new ATOM 0 HG3 MET A 53 -16.181 -4.563 -1.758 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.770 -3.429 -3.565 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.379 -2.747 -3.902 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.884 -3.073 -2.224 1.00 0.00 H new ATOM 783 N THR A 54 -17.883 -8.622 -4.805 1.00 0.00 N ATOM 784 CA THR A 54 -17.630 -10.025 -5.104 1.00 0.00 C ATOM 785 C THR A 54 -17.189 -10.194 -6.557 1.00 0.00 C ATOM 786 O THR A 54 -16.148 -10.790 -6.836 1.00 0.00 O ATOM 787 CB THR A 54 -18.883 -10.884 -4.842 1.00 0.00 C ATOM 788 OG1 THR A 54 -19.426 -10.575 -3.548 1.00 0.00 O ATOM 789 CG2 THR A 54 -18.553 -12.367 -4.913 1.00 0.00 C ATOM 0 H THR A 54 -18.845 -8.416 -4.536 1.00 0.00 H new ATOM 0 HA THR A 54 -16.831 -10.363 -4.445 1.00 0.00 H new ATOM 0 HB THR A 54 -19.618 -10.655 -5.613 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.933 -9.738 -3.598 1.00 0.00 H new ATOM 0 HG21 THR A 54 -19.455 -12.950 -4.724 1.00 0.00 H new ATOM 0 HG22 THR A 54 -18.167 -12.607 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.801 -12.609 -4.162 1.00 0.00 H new ATOM 797 N LYS A 55 -17.972 -9.637 -7.475 1.00 0.00 N ATOM 798 CA LYS A 55 -17.660 -9.722 -8.895 1.00 0.00 C ATOM 799 C LYS A 55 -16.383 -8.951 -9.210 1.00 0.00 C ATOM 800 O LYS A 55 -15.549 -9.410 -9.990 1.00 0.00 O ATOM 801 CB LYS A 55 -18.817 -9.184 -9.738 1.00 0.00 C ATOM 802 CG LYS A 55 -19.833 -10.242 -10.140 1.00 0.00 C ATOM 803 CD LYS A 55 -20.980 -10.328 -9.149 1.00 0.00 C ATOM 804 CE LYS A 55 -22.144 -11.118 -9.720 1.00 0.00 C ATOM 805 NZ LYS A 55 -23.367 -10.982 -8.891 1.00 0.00 N ATOM 0 H LYS A 55 -18.826 -9.123 -7.260 1.00 0.00 H new ATOM 0 HA LYS A 55 -17.507 -10.772 -9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -19.327 -8.399 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -18.413 -8.722 -10.639 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.225 -10.012 -11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.340 -11.211 -10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.634 -10.799 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -21.313 -9.324 -8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.353 -10.775 -10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -21.869 -12.170 -9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -24.112 -11.602 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -23.153 -11.253 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -23.694 -9.995 -8.914 1.00 0.00 H new ATOM 819 N SER A 56 -16.228 -7.787 -8.588 1.00 0.00 N ATOM 820 CA SER A 56 -15.044 -6.964 -8.801 1.00 0.00 C ATOM 821 C SER A 56 -13.786 -7.718 -8.374 1.00 0.00 C ATOM 822 O SER A 56 -12.767 -7.675 -9.060 1.00 0.00 O ATOM 823 CB SER A 56 -15.165 -5.644 -8.036 1.00 0.00 C ATOM 824 OG SER A 56 -16.309 -4.914 -8.457 1.00 0.00 O ATOM 0 H SER A 56 -16.905 -7.394 -7.935 1.00 0.00 H new ATOM 0 HA SER A 56 -14.966 -6.739 -9.865 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.230 -5.844 -6.967 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.268 -5.045 -8.194 1.00 0.00 H new ATOM 0 HG SER A 56 -17.108 -5.276 -8.020 1.00 0.00 H new ATOM 830 N HIS A 57 -13.869 -8.419 -7.244 1.00 0.00 N ATOM 831 CA HIS A 57 -12.741 -9.197 -6.738 1.00 0.00 C ATOM 832 C HIS A 57 -12.419 -10.328 -7.711 1.00 0.00 C ATOM 833 O HIS A 57 -11.252 -10.629 -7.962 1.00 0.00 O ATOM 834 CB HIS A 57 -13.054 -9.763 -5.343 1.00 0.00 C ATOM 835 CG HIS A 57 -11.884 -10.418 -4.663 1.00 0.00 C ATOM 836 ND1 HIS A 57 -12.007 -11.172 -3.517 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.565 -10.438 -4.978 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.821 -11.626 -3.160 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.927 -11.196 -4.028 1.00 0.00 N ATOM 0 H HIS A 57 -14.706 -8.464 -6.662 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.873 -8.543 -6.651 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -13.421 -8.955 -4.710 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.861 -10.490 -5.432 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -12.880 -11.352 -3.021 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.102 -9.948 -5.821 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.617 -12.246 -2.300 1.00 0.00 H new ATOM 848 N GLN A 58 -13.463 -10.942 -8.256 1.00 0.00 N ATOM 849 CA GLN A 58 -13.308 -12.032 -9.212 1.00 0.00 C ATOM 850 C GLN A 58 -12.614 -11.535 -10.476 1.00 0.00 C ATOM 851 O GLN A 58 -11.605 -12.099 -10.905 1.00 0.00 O ATOM 852 CB GLN A 58 -14.675 -12.622 -9.565 1.00 0.00 C ATOM 853 CG GLN A 58 -14.603 -13.792 -10.530 1.00 0.00 C ATOM 854 CD GLN A 58 -15.963 -14.183 -11.069 1.00 0.00 C ATOM 855 OE1 GLN A 58 -16.657 -15.019 -10.490 1.00 0.00 O ATOM 856 NE2 GLN A 58 -16.354 -13.579 -12.178 1.00 0.00 N ATOM 0 H GLN A 58 -14.433 -10.701 -8.050 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.693 -12.808 -8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.168 -12.948 -8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -15.297 -11.840 -10.001 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.947 -13.534 -11.361 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.156 -14.648 -10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.747 -12.892 -12.626 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -17.262 -13.800 -12.586 1.00 0.00 H new ATOM 865 N ASN A 59 -13.166 -10.473 -11.057 1.00 0.00 N ATOM 866 CA ASN A 59 -12.619 -9.868 -12.270 1.00 0.00 C ATOM 867 C ASN A 59 -11.174 -9.435 -12.047 1.00 0.00 C ATOM 868 O ASN A 59 -10.303 -9.674 -12.881 1.00 0.00 O ATOM 869 CB ASN A 59 -13.472 -8.660 -12.676 1.00 0.00 C ATOM 870 CG ASN A 59 -12.900 -7.888 -13.852 1.00 0.00 C ATOM 871 OD1 ASN A 59 -12.419 -8.467 -14.826 1.00 0.00 O ATOM 872 ND2 ASN A 59 -12.954 -6.570 -13.767 1.00 0.00 N ATOM 0 H ASN A 59 -14.002 -10.008 -10.702 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.638 -10.608 -13.070 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.476 -9.001 -12.928 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.569 -7.989 -11.822 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.589 -5.995 -14.526 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.361 -6.128 -12.942 1.00 0.00 H new ATOM 879 N LEU A 60 -10.934 -8.817 -10.899 1.00 0.00 N ATOM 880 CA LEU A 60 -9.610 -8.334 -10.522 1.00 0.00 C ATOM 881 C LEU A 60 -8.565 -9.452 -10.559 1.00 0.00 C ATOM 882 O LEU A 60 -7.430 -9.235 -10.985 1.00 0.00 O ATOM 883 CB LEU A 60 -9.678 -7.721 -9.122 1.00 0.00 C ATOM 884 CG LEU A 60 -8.340 -7.328 -8.496 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.679 -6.215 -9.290 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.548 -6.903 -7.053 1.00 0.00 C ATOM 0 H LEU A 60 -11.654 -8.635 -10.199 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.302 -7.579 -11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.310 -6.834 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.172 -8.432 -8.459 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.679 -8.194 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.728 -5.952 -8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.503 -6.552 -10.312 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.330 -5.341 -9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.590 -6.625 -6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.225 -6.049 -7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.979 -7.730 -6.489 1.00 0.00 H new ATOM 898 N CYS A 61 -8.961 -10.649 -10.140 1.00 0.00 N ATOM 899 CA CYS A 61 -8.052 -11.793 -10.104 1.00 0.00 C ATOM 900 C CYS A 61 -7.614 -12.227 -11.503 1.00 0.00 C ATOM 901 O CYS A 61 -6.553 -12.830 -11.666 1.00 0.00 O ATOM 902 CB CYS A 61 -8.712 -12.969 -9.383 1.00 0.00 C ATOM 903 SG CYS A 61 -9.131 -12.632 -7.658 1.00 0.00 S ATOM 0 H CYS A 61 -9.907 -10.854 -9.819 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.161 -11.479 -9.560 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.619 -13.247 -9.919 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.042 -13.828 -9.422 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.222 -11.927 -7.606 1.00 0.00 H new ATOM 909 N THR A 62 -8.417 -11.918 -12.508 1.00 0.00 N ATOM 910 CA THR A 62 -8.089 -12.298 -13.874 1.00 0.00 C ATOM 911 C THR A 62 -7.566 -11.111 -14.683 1.00 0.00 C ATOM 912 O THR A 62 -7.323 -11.221 -15.887 1.00 0.00 O ATOM 913 CB THR A 62 -9.312 -12.910 -14.580 1.00 0.00 C ATOM 914 OG1 THR A 62 -10.486 -12.709 -13.776 1.00 0.00 O ATOM 915 CG2 THR A 62 -9.106 -14.398 -14.816 1.00 0.00 C ATOM 0 H THR A 62 -9.295 -11.409 -12.406 1.00 0.00 H new ATOM 0 HA THR A 62 -7.297 -13.045 -13.816 1.00 0.00 H new ATOM 0 HB THR A 62 -9.438 -12.417 -15.544 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.263 -13.098 -14.229 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.982 -14.812 -15.316 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.226 -14.549 -15.441 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.962 -14.902 -13.860 1.00 0.00 H new ATOM 923 N LYS A 63 -7.382 -9.978 -14.020 1.00 0.00 N ATOM 924 CA LYS A 63 -6.891 -8.780 -14.692 1.00 0.00 C ATOM 925 C LYS A 63 -5.586 -8.297 -14.072 1.00 0.00 C ATOM 926 O LYS A 63 -4.615 -8.015 -14.774 1.00 0.00 O ATOM 927 CB LYS A 63 -7.932 -7.657 -14.629 1.00 0.00 C ATOM 928 CG LYS A 63 -9.258 -8.003 -15.288 1.00 0.00 C ATOM 929 CD LYS A 63 -9.080 -8.347 -16.757 1.00 0.00 C ATOM 930 CE LYS A 63 -10.389 -8.797 -17.388 1.00 0.00 C ATOM 931 NZ LYS A 63 -11.398 -7.706 -17.405 1.00 0.00 N ATOM 0 H LYS A 63 -7.564 -9.862 -13.023 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.708 -9.042 -15.734 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.113 -7.402 -13.585 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.521 -6.768 -15.108 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.714 -8.846 -14.769 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.944 -7.161 -15.191 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.698 -7.477 -17.291 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.336 -9.137 -16.859 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.203 -9.136 -18.407 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.785 -9.649 -16.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.038 -7.837 -18.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.948 -7.728 -16.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.916 -6.788 -17.490 1.00 0.00 H new ATOM 945 N GLY A 64 -5.566 -8.217 -12.752 1.00 0.00 N ATOM 946 CA GLY A 64 -4.392 -7.743 -12.052 1.00 0.00 C ATOM 947 C GLY A 64 -4.634 -6.375 -11.456 1.00 0.00 C ATOM 948 O GLY A 64 -4.350 -6.135 -10.287 1.00 0.00 O ATOM 0 H GLY A 64 -6.348 -8.474 -12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.126 -8.446 -11.263 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.547 -7.700 -12.739 1.00 0.00 H new ATOM 952 N GLN A 65 -5.183 -5.483 -12.264 1.00 0.00 N ATOM 953 CA GLN A 65 -5.489 -4.132 -11.825 1.00 0.00 C ATOM 954 C GLN A 65 -6.806 -3.680 -12.445 1.00 0.00 C ATOM 955 O GLN A 65 -6.989 -3.774 -13.660 1.00 0.00 O ATOM 956 CB GLN A 65 -4.359 -3.169 -12.207 1.00 0.00 C ATOM 957 CG GLN A 65 -4.629 -1.721 -11.827 1.00 0.00 C ATOM 958 CD GLN A 65 -3.478 -0.800 -12.184 1.00 0.00 C ATOM 959 OE1 GLN A 65 -3.396 -0.294 -13.303 1.00 0.00 O ATOM 960 NE2 GLN A 65 -2.594 -0.559 -11.231 1.00 0.00 N ATOM 0 H GLN A 65 -5.428 -5.673 -13.236 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.584 -4.126 -10.739 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.438 -3.495 -11.724 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.193 -3.227 -13.283 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.533 -1.379 -12.331 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.820 -1.660 -10.756 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.698 -0.998 -10.316 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.808 0.066 -11.410 1.00 0.00 H new ATOM 969 N VAL A 66 -7.722 -3.217 -11.609 1.00 0.00 N ATOM 970 CA VAL A 66 -9.020 -2.757 -12.078 1.00 0.00 C ATOM 971 C VAL A 66 -9.484 -1.553 -11.260 1.00 0.00 C ATOM 972 O VAL A 66 -9.170 -1.439 -10.071 1.00 0.00 O ATOM 973 CB VAL A 66 -10.079 -3.888 -12.012 1.00 0.00 C ATOM 974 CG1 VAL A 66 -10.424 -4.242 -10.571 1.00 0.00 C ATOM 975 CG2 VAL A 66 -11.333 -3.506 -12.786 1.00 0.00 C ATOM 0 H VAL A 66 -7.590 -3.150 -10.600 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.911 -2.459 -13.121 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.645 -4.772 -12.479 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -11.169 -5.038 -10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.525 -4.579 -10.054 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.825 -3.363 -10.066 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -12.060 -4.316 -12.724 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.762 -2.600 -12.359 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.076 -3.328 -13.830 1.00 0.00 H new ATOM 985 N VAL A 67 -10.199 -0.641 -11.905 1.00 0.00 N ATOM 986 CA VAL A 67 -10.704 0.544 -11.234 1.00 0.00 C ATOM 987 C VAL A 67 -12.185 0.381 -10.919 1.00 0.00 C ATOM 988 O VAL A 67 -13.035 0.495 -11.802 1.00 0.00 O ATOM 989 CB VAL A 67 -10.506 1.815 -12.086 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.848 3.055 -11.275 1.00 0.00 C ATOM 991 CG2 VAL A 67 -9.082 1.895 -12.615 1.00 0.00 C ATOM 0 H VAL A 67 -10.441 -0.702 -12.894 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.136 0.657 -10.311 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.181 1.764 -12.940 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.703 3.943 -11.890 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.888 3.003 -10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.199 3.109 -10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.966 2.799 -13.213 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.384 1.921 -11.778 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.874 1.022 -13.234 1.00 0.00 H new ATOM 1001 N SER A 68 -12.485 0.096 -9.666 1.00 0.00 N ATOM 1002 CA SER A 68 -13.857 -0.077 -9.231 1.00 0.00 C ATOM 1003 C SER A 68 -14.514 1.280 -9.023 1.00 0.00 C ATOM 1004 O SER A 68 -13.963 2.148 -8.337 1.00 0.00 O ATOM 1005 CB SER A 68 -13.892 -0.895 -7.940 1.00 0.00 C ATOM 1006 OG SER A 68 -13.120 -2.077 -8.078 1.00 0.00 O ATOM 0 H SER A 68 -11.791 -0.021 -8.927 1.00 0.00 H new ATOM 0 HA SER A 68 -14.412 -0.614 -10.000 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.507 -0.297 -7.114 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.922 -1.153 -7.694 1.00 0.00 H new ATOM 0 HG SER A 68 -13.152 -2.588 -7.242 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.678 1.461 -9.634 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.402 2.712 -9.517 1.00 0.00 C ATOM 1014 C GLY A 69 -16.882 2.978 -8.104 1.00 0.00 C ATOM 1015 O GLY A 69 -16.850 2.082 -7.255 1.00 0.00 O ATOM 0 H GLY A 69 -16.136 0.757 -10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.759 3.531 -9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.259 2.696 -10.191 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.331 4.208 -7.860 1.00 0.00 N ATOM 1020 CA GLN A 70 -17.819 4.612 -6.547 1.00 0.00 C ATOM 1021 C GLN A 70 -18.905 3.671 -6.052 1.00 0.00 C ATOM 1022 O GLN A 70 -19.965 3.553 -6.665 1.00 0.00 O ATOM 1023 CB GLN A 70 -18.364 6.039 -6.592 1.00 0.00 C ATOM 1024 CG GLN A 70 -17.290 7.108 -6.501 1.00 0.00 C ATOM 1025 CD GLN A 70 -17.865 8.499 -6.362 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -18.115 9.183 -7.353 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -18.073 8.930 -5.130 1.00 0.00 N ATOM 0 H GLN A 70 -17.366 4.946 -8.563 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.977 4.569 -5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -18.922 6.176 -7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.069 6.175 -5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.645 6.898 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.663 7.065 -7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.852 8.330 -4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.455 9.863 -4.974 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.626 2.995 -4.952 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.577 2.070 -4.365 1.00 0.00 C ATOM 1038 C TYR A 71 -19.918 2.495 -2.943 1.00 0.00 C ATOM 1039 O TYR A 71 -19.326 3.436 -2.415 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.023 0.642 -4.383 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.637 0.492 -3.782 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.427 0.631 -2.414 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.542 0.194 -4.583 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.170 0.482 -1.865 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.280 0.039 -4.038 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.101 0.185 -2.678 1.00 0.00 C ATOM 1047 OH TYR A 71 -13.851 0.026 -2.126 1.00 0.00 O ATOM 0 H TYR A 71 -17.744 3.070 -4.446 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.490 2.088 -4.960 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.711 -0.007 -3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.997 0.290 -5.414 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.263 0.860 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.678 0.081 -5.648 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.026 0.598 -0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.439 -0.195 -4.674 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.938 -0.316 -1.212 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.866 1.799 -2.330 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.285 2.105 -0.968 1.00 0.00 C ATOM 1059 C ARG A 72 -20.434 1.356 0.049 1.00 0.00 C ATOM 1060 O ARG A 72 -20.697 0.190 0.343 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.745 1.713 -0.758 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.744 2.572 -1.509 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.167 2.135 -1.201 1.00 0.00 C ATOM 1064 NE ARG A 72 -26.153 2.854 -2.002 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.658 2.393 -3.147 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -26.267 1.210 -3.623 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.549 3.113 -3.819 1.00 0.00 N ATOM 0 H ARG A 72 -21.361 1.016 -2.756 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.161 3.178 -0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -22.876 0.675 -1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -22.971 1.763 0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.612 3.618 -1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.560 2.500 -2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.264 1.065 -1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.374 2.297 -0.143 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.475 3.762 -1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.580 0.656 -3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.655 0.859 -4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.848 4.020 -3.459 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.935 2.759 -4.695 1.00 0.00 H new ATOM 1081 N MET A 73 -19.412 2.007 0.575 1.00 0.00 N ATOM 1082 CA MET A 73 -18.563 1.373 1.571 1.00 0.00 C ATOM 1083 C MET A 73 -19.207 1.496 2.944 1.00 0.00 C ATOM 1084 O MET A 73 -19.514 2.600 3.392 1.00 0.00 O ATOM 1085 CB MET A 73 -17.168 1.993 1.582 1.00 0.00 C ATOM 1086 CG MET A 73 -16.147 1.140 2.313 1.00 0.00 C ATOM 1087 SD MET A 73 -16.198 -0.588 1.790 1.00 0.00 S ATOM 1088 CE MET A 73 -15.034 -1.317 2.940 1.00 0.00 C ATOM 0 H MET A 73 -19.151 2.963 0.334 1.00 0.00 H new ATOM 0 HA MET A 73 -18.456 0.319 1.314 1.00 0.00 H new ATOM 0 HB2 MET A 73 -16.836 2.147 0.555 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.216 2.975 2.052 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.149 1.541 2.137 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.330 1.198 3.386 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.032 -2.400 2.818 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.035 -0.928 2.743 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.326 -1.067 3.960 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.412 0.361 3.597 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.046 0.333 4.909 1.00 0.00 C ATOM 1100 C LEU A 74 -19.167 0.980 5.971 1.00 0.00 C ATOM 1101 O LEU A 74 -18.018 0.586 6.174 1.00 0.00 O ATOM 1102 CB LEU A 74 -20.380 -1.107 5.308 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.215 -1.255 6.582 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -22.572 -0.593 6.413 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -21.380 -2.722 6.941 1.00 0.00 C ATOM 0 H LEU A 74 -19.148 -0.557 3.239 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.969 0.910 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.916 -1.580 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.448 -1.656 5.438 1.00 0.00 H new ATOM 0 HG LEU A 74 -20.690 -0.756 7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.150 -0.709 7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.436 0.468 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.105 -1.062 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -21.976 -2.809 7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -21.883 -3.242 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.400 -3.169 7.106 1.00 0.00 H new ATOM 1117 N ALA A 75 -19.719 1.988 6.625 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.026 2.701 7.681 1.00 0.00 C ATOM 1119 C ALA A 75 -19.414 2.122 9.036 1.00 0.00 C ATOM 1120 O ALA A 75 -20.346 1.322 9.128 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.348 4.188 7.615 1.00 0.00 C ATOM 0 H ALA A 75 -20.660 2.334 6.438 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.951 2.582 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.821 4.710 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.032 4.586 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.422 4.333 7.733 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.730 2.553 10.089 1.00 0.00 N ATOM 1128 CA LYS A 76 -18.993 2.053 11.437 1.00 0.00 C ATOM 1129 C LYS A 76 -20.249 2.694 12.041 1.00 0.00 C ATOM 1130 O LYS A 76 -20.201 3.261 13.131 1.00 0.00 O ATOM 1131 CB LYS A 76 -17.783 2.311 12.340 1.00 0.00 C ATOM 1132 CG LYS A 76 -17.700 1.374 13.536 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.491 1.678 14.407 1.00 0.00 C ATOM 1134 CE LYS A 76 -16.766 2.813 15.379 1.00 0.00 C ATOM 1135 NZ LYS A 76 -17.659 2.390 16.489 1.00 0.00 N ATOM 0 H LYS A 76 -17.987 3.250 10.037 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.168 0.979 11.366 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.872 2.213 11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.821 3.340 12.698 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.609 1.463 14.131 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.647 0.343 13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.210 0.784 14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.643 1.939 13.774 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.824 3.175 15.790 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.222 3.646 14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.634 3.103 17.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.632 2.296 16.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.337 1.475 16.864 1.00 0.00 H new ATOM 1149 N HIS A 77 -21.362 2.604 11.311 1.00 0.00 N ATOM 1150 CA HIS A 77 -22.653 3.150 11.750 1.00 0.00 C ATOM 1151 C HIS A 77 -23.717 2.950 10.674 1.00 0.00 C ATOM 1152 O HIS A 77 -24.694 3.692 10.607 1.00 0.00 O ATOM 1153 CB HIS A 77 -22.553 4.646 12.119 1.00 0.00 C ATOM 1154 CG HIS A 77 -22.046 5.534 11.021 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.873 6.235 10.170 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -20.784 5.842 10.648 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -22.141 6.931 9.320 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -20.868 6.709 9.588 1.00 0.00 N ATOM 0 H HIS A 77 -21.397 2.151 10.398 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.942 2.603 12.647 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.539 4.997 12.424 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.896 4.749 12.983 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.876 5.473 11.101 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -22.520 7.573 8.538 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -20.077 7.115 9.089 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.526 1.940 9.832 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.479 1.663 8.770 1.00 0.00 C ATOM 1169 C GLY A 78 -24.417 2.677 7.641 1.00 0.00 C ATOM 1170 O GLY A 78 -25.299 2.714 6.781 1.00 0.00 O ATOM 0 H GLY A 78 -22.727 1.307 9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.289 0.668 8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.486 1.652 9.186 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.375 3.501 7.642 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.218 4.506 6.607 1.00 0.00 C ATOM 1176 C GLY A 79 -22.617 3.926 5.347 1.00 0.00 C ATOM 1177 O GLY A 79 -21.962 2.887 5.401 1.00 0.00 O ATOM 0 H GLY A 79 -22.634 3.491 8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.189 4.946 6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -22.582 5.311 6.976 1.00 0.00 H new ATOM 1181 N TYR A 80 -22.844 4.582 4.221 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.316 4.111 2.948 1.00 0.00 C ATOM 1183 C TYR A 80 -21.480 5.191 2.270 1.00 0.00 C ATOM 1184 O TYR A 80 -22.009 6.067 1.594 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.459 3.678 2.031 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.320 2.583 2.618 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -23.794 1.323 2.878 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -25.655 2.813 2.922 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.576 0.323 3.424 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.442 1.819 3.470 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.897 0.577 3.718 1.00 0.00 C ATOM 1192 OH TYR A 80 -26.678 -0.414 4.265 1.00 0.00 O ATOM 0 H TYR A 80 -23.390 5.442 4.161 1.00 0.00 H new ATOM 0 HA TYR A 80 -21.672 3.254 3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.085 4.543 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.044 3.335 1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.758 1.122 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.085 3.784 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.154 -0.652 3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.478 2.014 3.703 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.584 -0.072 4.413 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.173 5.123 2.460 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.265 6.098 1.871 1.00 0.00 C ATOM 1204 C VAL A 81 -19.075 5.821 0.383 1.00 0.00 C ATOM 1205 O VAL A 81 -18.655 4.728 -0.001 1.00 0.00 O ATOM 1206 CB VAL A 81 -17.887 6.088 2.569 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -17.141 7.386 2.302 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.035 5.850 4.066 1.00 0.00 C ATOM 0 H VAL A 81 -19.715 4.403 3.018 1.00 0.00 H new ATOM 0 HA VAL A 81 -19.716 7.081 2.008 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.304 5.266 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.173 7.359 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -16.992 7.506 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.723 8.225 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.050 5.848 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.642 6.643 4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.519 4.888 4.235 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.403 6.805 -0.448 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.263 6.673 -1.896 1.00 0.00 C ATOM 1220 C TRP A 82 -17.828 6.981 -2.329 1.00 0.00 C ATOM 1221 O TRP A 82 -17.414 8.144 -2.367 1.00 0.00 O ATOM 1222 CB TRP A 82 -20.233 7.615 -2.618 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.660 7.156 -2.612 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -22.656 7.573 -1.773 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -22.256 6.203 -3.501 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -23.834 6.939 -2.089 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.613 6.091 -3.142 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.774 5.434 -4.562 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.490 5.240 -3.810 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.645 4.590 -5.223 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.989 4.499 -4.844 1.00 0.00 C ATOM 0 H TRP A 82 -19.769 7.707 -0.143 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.500 5.644 -2.165 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -20.179 8.599 -2.153 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -19.906 7.732 -3.651 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.535 8.295 -0.979 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.727 7.077 -1.616 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.738 5.498 -4.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.528 5.168 -3.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -22.283 3.991 -6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.645 3.829 -5.380 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.078 5.944 -2.674 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.689 6.115 -3.085 1.00 0.00 C ATOM 1244 C LEU A 83 -15.271 5.077 -4.125 1.00 0.00 C ATOM 1245 O LEU A 83 -15.828 3.977 -4.177 1.00 0.00 O ATOM 1246 CB LEU A 83 -14.768 6.029 -1.861 1.00 0.00 C ATOM 1247 CG LEU A 83 -15.344 5.287 -0.646 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -15.425 3.790 -0.907 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -14.508 5.565 0.593 1.00 0.00 C ATOM 0 H LEU A 83 -17.405 4.978 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.599 7.099 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -13.843 5.536 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.506 7.042 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.355 5.656 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.836 3.290 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.070 3.605 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.427 3.402 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -14.931 5.031 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.485 5.228 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -14.508 6.635 0.799 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.297 5.448 -4.957 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.768 4.555 -5.988 1.00 0.00 C ATOM 1263 C GLU A 84 -12.586 3.787 -5.422 1.00 0.00 C ATOM 1264 O GLU A 84 -12.085 4.128 -4.354 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.314 5.336 -7.226 1.00 0.00 C ATOM 1266 CG GLU A 84 -14.448 5.973 -8.007 1.00 0.00 C ATOM 1267 CD GLU A 84 -14.180 6.009 -9.496 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -13.187 6.640 -9.916 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -14.964 5.409 -10.258 1.00 0.00 O ATOM 0 H GLU A 84 -13.856 6.368 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.562 3.871 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.618 6.115 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.766 4.664 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.369 5.420 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.608 6.989 -7.646 1.00 0.00 H new ATOM 1276 N THR A 85 -12.136 2.754 -6.117 1.00 0.00 N ATOM 1277 CA THR A 85 -11.003 1.972 -5.640 1.00 0.00 C ATOM 1278 C THR A 85 -10.259 1.290 -6.788 1.00 0.00 C ATOM 1279 O THR A 85 -10.842 0.540 -7.563 1.00 0.00 O ATOM 1280 CB THR A 85 -11.450 0.905 -4.617 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.188 1.526 -3.557 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.252 0.171 -4.032 1.00 0.00 C ATOM 0 H THR A 85 -12.531 2.439 -7.003 1.00 0.00 H new ATOM 0 HA THR A 85 -10.325 2.673 -5.154 1.00 0.00 H new ATOM 0 HB THR A 85 -12.081 0.184 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.781 0.866 -3.141 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.596 -0.574 -3.315 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.702 -0.323 -4.833 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.599 0.884 -3.529 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.970 1.572 -6.895 1.00 0.00 N ATOM 1291 CA GLN A 86 -8.135 0.972 -7.925 1.00 0.00 C ATOM 1292 C GLN A 86 -7.341 -0.185 -7.328 1.00 0.00 C ATOM 1293 O GLN A 86 -6.314 0.025 -6.680 1.00 0.00 O ATOM 1294 CB GLN A 86 -7.181 2.013 -8.513 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.550 1.585 -9.825 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.503 2.565 -10.307 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.816 3.542 -10.984 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -4.251 2.309 -9.965 1.00 0.00 N ATOM 0 H GLN A 86 -8.477 2.217 -6.277 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.774 0.598 -8.725 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.724 2.945 -8.668 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.392 2.220 -7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.095 0.602 -9.703 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.327 1.485 -10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.034 1.487 -9.402 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.503 2.934 -10.265 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.828 -1.399 -7.534 1.00 0.00 N ATOM 1308 CA GLY A 87 -7.164 -2.570 -6.998 1.00 0.00 C ATOM 1309 C GLY A 87 -6.039 -3.052 -7.885 1.00 0.00 C ATOM 1310 O GLY A 87 -6.229 -3.238 -9.083 1.00 0.00 O ATOM 0 H GLY A 87 -8.676 -1.595 -8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.769 -2.339 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.892 -3.371 -6.872 1.00 0.00 H new ATOM 1314 N THR A 88 -4.866 -3.246 -7.299 1.00 0.00 N ATOM 1315 CA THR A 88 -3.703 -3.711 -8.038 1.00 0.00 C ATOM 1316 C THR A 88 -3.040 -4.894 -7.333 1.00 0.00 C ATOM 1317 O THR A 88 -2.343 -4.721 -6.334 1.00 0.00 O ATOM 1318 CB THR A 88 -2.671 -2.581 -8.202 1.00 0.00 C ATOM 1319 OG1 THR A 88 -3.330 -1.372 -8.603 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.610 -2.956 -9.224 1.00 0.00 C ATOM 0 H THR A 88 -4.695 -3.087 -6.306 1.00 0.00 H new ATOM 0 HA THR A 88 -4.050 -4.030 -9.021 1.00 0.00 H new ATOM 0 HB THR A 88 -2.180 -2.424 -7.242 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.787 -0.600 -8.339 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.893 -2.140 -9.321 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.092 -3.857 -8.897 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.083 -3.140 -10.189 1.00 0.00 H new ATOM 1328 N VAL A 89 -3.268 -6.089 -7.849 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.691 -7.294 -7.271 1.00 0.00 C ATOM 1330 C VAL A 89 -1.226 -7.415 -7.665 1.00 0.00 C ATOM 1331 O VAL A 89 -0.902 -7.563 -8.844 1.00 0.00 O ATOM 1332 CB VAL A 89 -3.431 -8.568 -7.733 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -3.069 -9.751 -6.849 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.937 -8.349 -7.754 1.00 0.00 C ATOM 0 H VAL A 89 -3.851 -6.253 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.790 -7.207 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.111 -8.792 -8.751 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.601 -10.638 -7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.995 -9.929 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.351 -9.535 -5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.433 -9.262 -8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.281 -8.090 -6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.177 -7.538 -8.441 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.341 -7.329 -6.685 1.00 0.00 N ATOM 1345 CA ILE A 90 1.083 -7.442 -6.952 1.00 0.00 C ATOM 1346 C ILE A 90 1.560 -8.862 -6.675 1.00 0.00 C ATOM 1347 O ILE A 90 1.041 -9.545 -5.786 1.00 0.00 O ATOM 1348 CB ILE A 90 1.919 -6.440 -6.120 1.00 0.00 C ATOM 1349 CG1 ILE A 90 1.800 -6.738 -4.622 1.00 0.00 C ATOM 1350 CG2 ILE A 90 1.484 -5.011 -6.418 1.00 0.00 C ATOM 1351 CD1 ILE A 90 2.767 -5.946 -3.769 1.00 0.00 C ATOM 0 H ILE A 90 -0.581 -7.182 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 90 1.231 -7.201 -8.005 1.00 0.00 H new ATOM 0 HB ILE A 90 2.966 -6.551 -6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.782 -6.524 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.970 -7.802 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.081 -4.318 -5.825 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.629 -4.800 -7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.431 -4.891 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.626 -6.208 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.789 -6.178 -4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.583 -4.880 -3.904 1.00 0.00 H new ATOM 1363 N TYR A 91 2.532 -9.309 -7.447 1.00 0.00 N ATOM 1364 CA TYR A 91 3.073 -10.643 -7.283 1.00 0.00 C ATOM 1365 C TYR A 91 4.243 -10.623 -6.315 1.00 0.00 C ATOM 1366 O TYR A 91 5.092 -9.738 -6.377 1.00 0.00 O ATOM 1367 CB TYR A 91 3.531 -11.211 -8.626 1.00 0.00 C ATOM 1368 CG TYR A 91 2.405 -11.460 -9.601 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.490 -12.479 -9.381 1.00 0.00 C ATOM 1370 CD2 TYR A 91 2.261 -10.681 -10.741 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.460 -12.714 -10.268 1.00 0.00 C ATOM 1372 CE2 TYR A 91 1.234 -10.911 -11.634 1.00 0.00 C ATOM 1373 CZ TYR A 91 0.337 -11.929 -11.393 1.00 0.00 C ATOM 1374 OH TYR A 91 -0.682 -12.168 -12.287 1.00 0.00 O ATOM 0 H TYR A 91 2.963 -8.766 -8.195 1.00 0.00 H new ATOM 0 HA TYR A 91 2.284 -11.280 -6.882 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.243 -10.521 -9.077 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.061 -12.147 -8.452 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.585 -13.098 -8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.963 -9.883 -10.932 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.246 -13.509 -10.081 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.134 -10.297 -12.517 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.628 -11.525 -13.025 1.00 0.00 H new ATOM 1384 N ASN A 92 4.267 -11.583 -5.411 1.00 0.00 N ATOM 1385 CA ASN A 92 5.344 -11.696 -4.441 1.00 0.00 C ATOM 1386 C ASN A 92 6.553 -12.347 -5.107 1.00 0.00 C ATOM 1387 O ASN A 92 6.492 -13.506 -5.508 1.00 0.00 O ATOM 1388 CB ASN A 92 4.873 -12.512 -3.232 1.00 0.00 C ATOM 1389 CG ASN A 92 5.988 -12.879 -2.271 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.044 -12.250 -2.244 1.00 0.00 O ATOM 1391 ND2 ASN A 92 5.750 -13.900 -1.463 1.00 0.00 N ATOM 0 H ASN A 92 3.548 -12.302 -5.326 1.00 0.00 H new ATOM 0 HA ASN A 92 5.632 -10.706 -4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.115 -11.943 -2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.395 -13.426 -3.586 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.456 -14.190 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.861 -14.396 -1.517 1.00 0.00 H new ATOM 1398 N PRO A 93 7.672 -11.611 -5.223 1.00 0.00 N ATOM 1399 CA PRO A 93 8.899 -12.100 -5.875 1.00 0.00 C ATOM 1400 C PRO A 93 9.534 -13.306 -5.179 1.00 0.00 C ATOM 1401 O PRO A 93 10.510 -13.868 -5.674 1.00 0.00 O ATOM 1402 CB PRO A 93 9.843 -10.893 -5.822 1.00 0.00 C ATOM 1403 CG PRO A 93 9.318 -10.037 -4.723 1.00 0.00 C ATOM 1404 CD PRO A 93 7.831 -10.239 -4.714 1.00 0.00 C ATOM 0 HA PRO A 93 8.685 -12.458 -6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.869 -11.203 -5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.850 -10.356 -6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.756 -10.320 -3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.568 -8.990 -4.891 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.417 -10.131 -3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.323 -9.513 -5.349 1.00 0.00 H new ATOM 1412 N ARG A 94 8.992 -13.699 -4.035 1.00 0.00 N ATOM 1413 CA ARG A 94 9.520 -14.845 -3.310 1.00 0.00 C ATOM 1414 C ARG A 94 8.911 -16.151 -3.813 1.00 0.00 C ATOM 1415 O ARG A 94 9.477 -17.223 -3.601 1.00 0.00 O ATOM 1416 CB ARG A 94 9.263 -14.707 -1.811 1.00 0.00 C ATOM 1417 CG ARG A 94 10.133 -13.662 -1.142 1.00 0.00 C ATOM 1418 CD ARG A 94 10.247 -13.901 0.352 1.00 0.00 C ATOM 1419 NE ARG A 94 10.754 -15.239 0.654 1.00 0.00 N ATOM 1420 CZ ARG A 94 12.049 -15.559 0.697 1.00 0.00 C ATOM 1421 NH1 ARG A 94 12.977 -14.639 0.475 1.00 0.00 N ATOM 1422 NH2 ARG A 94 12.419 -16.803 0.966 1.00 0.00 N ATOM 0 H ARG A 94 8.193 -13.245 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 94 10.595 -14.871 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.215 -14.452 -1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.433 -15.671 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.127 -13.675 -1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.715 -12.671 -1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.910 -13.154 0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.269 -13.770 0.816 1.00 0.00 H new ATOM 0 HE ARG A 94 10.074 -15.975 0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.704 -13.678 0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.965 -14.892 0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.713 -17.518 1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.409 -17.045 0.998 1.00 0.00 H new ATOM 1436 N ASN A 95 7.764 -16.066 -4.485 1.00 0.00 N ATOM 1437 CA ASN A 95 7.104 -17.272 -4.989 1.00 0.00 C ATOM 1438 C ASN A 95 6.381 -17.022 -6.314 1.00 0.00 C ATOM 1439 O ASN A 95 5.743 -17.925 -6.855 1.00 0.00 O ATOM 1440 CB ASN A 95 6.107 -17.799 -3.948 1.00 0.00 C ATOM 1441 CG ASN A 95 5.912 -19.299 -4.036 1.00 0.00 C ATOM 1442 OD1 ASN A 95 6.834 -20.036 -4.379 1.00 0.00 O ATOM 1443 ND2 ASN A 95 4.711 -19.763 -3.724 1.00 0.00 N ATOM 0 H ASN A 95 7.279 -15.193 -4.691 1.00 0.00 H new ATOM 0 HA ASN A 95 7.880 -18.016 -5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.459 -17.540 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.146 -17.303 -4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.525 -20.765 -3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.972 -19.118 -3.444 1.00 0.00 H new ATOM 1450 N LEU A 96 6.477 -15.792 -6.825 1.00 0.00 N ATOM 1451 CA LEU A 96 5.831 -15.404 -8.084 1.00 0.00 C ATOM 1452 C LEU A 96 4.321 -15.628 -8.018 1.00 0.00 C ATOM 1453 O LEU A 96 3.679 -15.957 -9.017 1.00 0.00 O ATOM 1454 CB LEU A 96 6.434 -16.176 -9.261 1.00 0.00 C ATOM 1455 CG LEU A 96 7.833 -15.724 -9.678 1.00 0.00 C ATOM 1456 CD1 LEU A 96 8.396 -16.644 -10.748 1.00 0.00 C ATOM 1457 CD2 LEU A 96 7.796 -14.288 -10.178 1.00 0.00 C ATOM 0 H LEU A 96 7.002 -15.039 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 96 6.010 -14.340 -8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.472 -17.234 -9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.767 -16.082 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 96 8.486 -15.773 -8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.393 -16.305 -11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.455 -17.661 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.745 -16.627 -11.622 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.799 -13.979 -10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.129 -14.219 -11.037 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.433 -13.635 -9.384 1.00 0.00 H new ATOM 1469 N GLN A 97 3.764 -15.427 -6.835 1.00 0.00 N ATOM 1470 CA GLN A 97 2.338 -15.618 -6.608 1.00 0.00 C ATOM 1471 C GLN A 97 1.689 -14.309 -6.177 1.00 0.00 C ATOM 1472 O GLN A 97 2.360 -13.446 -5.609 1.00 0.00 O ATOM 1473 CB GLN A 97 2.127 -16.672 -5.517 1.00 0.00 C ATOM 1474 CG GLN A 97 2.690 -16.252 -4.163 1.00 0.00 C ATOM 1475 CD GLN A 97 2.272 -17.167 -3.030 1.00 0.00 C ATOM 1476 OE1 GLN A 97 2.101 -18.372 -3.217 1.00 0.00 O ATOM 1477 NE2 GLN A 97 2.103 -16.600 -1.847 1.00 0.00 N ATOM 0 H GLN A 97 4.282 -15.129 -6.009 1.00 0.00 H new ATOM 0 HA GLN A 97 1.878 -15.953 -7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.060 -16.872 -5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.598 -17.605 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.778 -16.231 -4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.362 -15.236 -3.940 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.255 -15.598 -1.735 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.820 -17.165 -1.046 1.00 0.00 H new ATOM 1486 N PRO A 98 0.389 -14.129 -6.461 1.00 0.00 N ATOM 1487 CA PRO A 98 -0.341 -12.927 -6.052 1.00 0.00 C ATOM 1488 C PRO A 98 -0.373 -12.826 -4.532 1.00 0.00 C ATOM 1489 O PRO A 98 -0.932 -13.696 -3.860 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.753 -13.145 -6.614 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.593 -14.186 -7.668 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.467 -15.065 -7.207 1.00 0.00 C ATOM 0 HA PRO A 98 0.114 -12.005 -6.414 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.441 -13.474 -5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -2.159 -12.223 -7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.511 -14.760 -7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.366 -13.733 -8.633 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.822 -15.880 -6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.063 -15.518 -8.045 1.00 0.00 H new ATOM 1500 N GLN A 99 0.241 -11.788 -3.989 1.00 0.00 N ATOM 1501 CA GLN A 99 0.299 -11.629 -2.545 1.00 0.00 C ATOM 1502 C GLN A 99 -0.774 -10.674 -2.037 1.00 0.00 C ATOM 1503 O GLN A 99 -1.865 -11.098 -1.652 1.00 0.00 O ATOM 1504 CB GLN A 99 1.687 -11.145 -2.125 1.00 0.00 C ATOM 1505 CG GLN A 99 2.070 -11.570 -0.717 1.00 0.00 C ATOM 1506 CD GLN A 99 2.123 -13.079 -0.556 1.00 0.00 C ATOM 1507 OE1 GLN A 99 2.523 -13.807 -1.469 1.00 0.00 O ATOM 1508 NE2 GLN A 99 1.699 -13.562 0.599 1.00 0.00 N ATOM 0 H GLN A 99 0.702 -11.049 -4.520 1.00 0.00 H new ATOM 0 HA GLN A 99 0.108 -12.603 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.426 -11.530 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.721 -10.058 -2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.043 -11.147 -0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.351 -11.158 -0.009 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.376 -12.927 1.329 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.695 -14.569 0.760 1.00 0.00 H new ATOM 1517 N CYS A 100 -0.473 -9.386 -2.048 1.00 0.00 N ATOM 1518 CA CYS A 100 -1.408 -8.392 -1.561 1.00 0.00 C ATOM 1519 C CYS A 100 -1.915 -7.505 -2.692 1.00 0.00 C ATOM 1520 O CYS A 100 -1.175 -7.162 -3.616 1.00 0.00 O ATOM 1521 CB CYS A 100 -0.744 -7.543 -0.475 1.00 0.00 C ATOM 1522 SG CYS A 100 0.064 -8.511 0.829 1.00 0.00 S ATOM 0 H CYS A 100 0.411 -9.007 -2.389 1.00 0.00 H new ATOM 0 HA CYS A 100 -2.268 -8.911 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -0.005 -6.891 -0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -1.497 -6.899 -0.021 1.00 0.00 H new ATOM 0 HG CYS A 100 1.278 -8.079 1.001 1.00 0.00 H new ATOM 1528 N ILE A 101 -3.187 -7.156 -2.621 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.807 -6.306 -3.617 1.00 0.00 C ATOM 1530 C ILE A 101 -3.780 -4.854 -3.159 1.00 0.00 C ATOM 1531 O ILE A 101 -4.438 -4.488 -2.181 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.270 -6.723 -3.887 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -5.350 -8.216 -4.215 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.857 -5.895 -5.021 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.752 -8.783 -4.143 1.00 0.00 C ATOM 0 H ILE A 101 -3.815 -7.453 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.238 -6.416 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.854 -6.538 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.953 -8.380 -5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.710 -8.765 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.888 -6.201 -5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.833 -4.839 -4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.271 -6.051 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.728 -9.845 -4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.146 -8.652 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.393 -8.261 -4.854 1.00 0.00 H new ATOM 1547 N MET A 102 -3.007 -4.039 -3.860 1.00 0.00 N ATOM 1548 CA MET A 102 -2.894 -2.624 -3.549 1.00 0.00 C ATOM 1549 C MET A 102 -4.129 -1.896 -4.050 1.00 0.00 C ATOM 1550 O MET A 102 -4.213 -1.532 -5.220 1.00 0.00 O ATOM 1551 CB MET A 102 -1.637 -2.034 -4.197 1.00 0.00 C ATOM 1552 CG MET A 102 -0.345 -2.664 -3.705 1.00 0.00 C ATOM 1553 SD MET A 102 0.042 -2.213 -2.004 1.00 0.00 S ATOM 1554 CE MET A 102 0.444 -0.478 -2.205 1.00 0.00 C ATOM 0 H MET A 102 -2.444 -4.338 -4.656 1.00 0.00 H new ATOM 0 HA MET A 102 -2.815 -2.502 -2.469 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.703 -2.158 -5.278 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.606 -0.962 -4.001 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.422 -3.749 -3.781 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.475 -2.357 -4.354 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.106 -0.162 -1.399 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.942 -0.328 -3.163 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.471 0.113 -2.176 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.093 -1.710 -3.167 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.332 -1.049 -3.525 1.00 0.00 C ATOM 1566 C CYS A 103 -6.285 0.425 -3.147 1.00 0.00 C ATOM 1567 O CYS A 103 -6.418 0.783 -1.975 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.508 -1.736 -2.829 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.373 -3.539 -2.771 1.00 0.00 S ATOM 0 H CYS A 103 -5.040 -2.009 -2.193 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.465 -1.120 -4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.588 -1.354 -1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.430 -1.467 -3.344 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.145 -3.874 -2.506 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.069 1.276 -4.136 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.024 2.707 -3.901 1.00 0.00 C ATOM 1577 C VAL A 104 -7.438 3.267 -3.957 1.00 0.00 C ATOM 1578 O VAL A 104 -8.044 3.345 -5.025 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.134 3.439 -4.925 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -4.723 4.802 -4.390 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -3.909 2.602 -5.273 1.00 0.00 C ATOM 0 H VAL A 104 -5.922 1.000 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.587 2.871 -2.916 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.710 3.587 -5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.095 5.307 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.613 5.402 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.166 4.676 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.296 3.138 -5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.327 2.417 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.227 1.651 -5.701 1.00 0.00 H new ATOM 1591 N ASN A 105 -7.965 3.630 -2.802 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.317 4.157 -2.701 1.00 0.00 C ATOM 1593 C ASN A 105 -9.342 5.660 -2.959 1.00 0.00 C ATOM 1594 O ASN A 105 -8.516 6.408 -2.434 1.00 0.00 O ATOM 1595 CB ASN A 105 -9.890 3.854 -1.316 1.00 0.00 C ATOM 1596 CG ASN A 105 -11.331 4.295 -1.168 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -11.612 5.451 -0.872 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -12.256 3.370 -1.365 1.00 0.00 N ATOM 0 H ASN A 105 -7.472 3.569 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.930 3.673 -3.461 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.821 2.783 -1.126 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.283 4.352 -0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.243 3.608 -1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -11.982 2.419 -1.610 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.294 6.091 -3.768 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.441 7.494 -4.104 1.00 0.00 C ATOM 1607 C TYR A 106 -11.823 7.988 -3.702 1.00 0.00 C ATOM 1608 O TYR A 106 -12.801 7.785 -4.425 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.231 7.717 -5.603 1.00 0.00 C ATOM 1610 CG TYR A 106 -8.860 7.320 -6.107 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -7.763 8.149 -5.919 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -8.668 6.122 -6.780 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -6.513 7.797 -6.391 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -7.420 5.761 -7.252 1.00 0.00 C ATOM 1615 CZ TYR A 106 -6.347 6.602 -7.055 1.00 0.00 C ATOM 1616 OH TYR A 106 -5.105 6.248 -7.534 1.00 0.00 O ATOM 0 H TYR A 106 -10.983 5.481 -4.208 1.00 0.00 H new ATOM 0 HA TYR A 106 -9.684 8.056 -3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.984 7.151 -6.151 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -10.397 8.771 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.888 9.085 -5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.507 5.461 -6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -5.671 8.456 -6.240 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -7.287 4.824 -7.773 1.00 0.00 H new ATOM 0 HH TYR A 106 -5.161 5.375 -7.976 1.00 0.00 H new ATOM 1626 N VAL A 107 -11.911 8.596 -2.531 1.00 0.00 N ATOM 1627 CA VAL A 107 -13.173 9.126 -2.044 1.00 0.00 C ATOM 1628 C VAL A 107 -13.559 10.357 -2.847 1.00 0.00 C ATOM 1629 O VAL A 107 -12.827 11.343 -2.872 1.00 0.00 O ATOM 1630 CB VAL A 107 -13.099 9.495 -0.550 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -14.495 9.574 0.054 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -12.235 8.498 0.203 1.00 0.00 C ATOM 0 H VAL A 107 -11.122 8.735 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.926 8.348 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.638 10.478 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.420 9.836 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.075 10.335 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -14.990 8.608 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.194 8.775 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.662 7.500 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.227 8.503 -0.213 1.00 0.00 H new ATOM 1642 N LEU A 108 -14.698 10.293 -3.519 1.00 0.00 N ATOM 1643 CA LEU A 108 -15.152 11.410 -4.332 1.00 0.00 C ATOM 1644 C LEU A 108 -16.452 11.998 -3.798 1.00 0.00 C ATOM 1645 O LEU A 108 -16.837 13.106 -4.169 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.327 10.968 -5.788 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.061 10.419 -6.452 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.392 9.811 -7.805 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.011 11.514 -6.598 1.00 0.00 C ATOM 0 H LEU A 108 -15.321 9.485 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.391 12.189 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.102 10.203 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.686 11.817 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.650 9.637 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.481 9.426 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -15.105 8.997 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.828 10.574 -8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.120 11.103 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -13.410 12.321 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.752 11.903 -5.613 1.00 0.00 H new ATOM 1661 N SER A 109 -17.125 11.265 -2.921 1.00 0.00 N ATOM 1662 CA SER A 109 -18.377 11.737 -2.356 1.00 0.00 C ATOM 1663 C SER A 109 -18.381 11.598 -0.840 1.00 0.00 C ATOM 1664 O SER A 109 -17.364 11.250 -0.232 1.00 0.00 O ATOM 1665 CB SER A 109 -19.555 10.973 -2.960 1.00 0.00 C ATOM 1666 OG SER A 109 -19.564 11.090 -4.372 1.00 0.00 O ATOM 0 H SER A 109 -16.826 10.348 -2.589 1.00 0.00 H new ATOM 0 HA SER A 109 -18.479 12.794 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.494 9.922 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.490 11.358 -2.553 1.00 0.00 H new ATOM 0 HG SER A 109 -20.325 10.592 -4.737 1.00 0.00 H new ATOM 1672 N GLU A 110 -19.529 11.878 -0.249 1.00 0.00 N ATOM 1673 CA GLU A 110 -19.708 11.808 1.191 1.00 0.00 C ATOM 1674 C GLU A 110 -20.223 10.436 1.622 1.00 0.00 C ATOM 1675 O GLU A 110 -20.125 9.458 0.875 1.00 0.00 O ATOM 1676 CB GLU A 110 -20.686 12.897 1.646 1.00 0.00 C ATOM 1677 CG GLU A 110 -21.997 12.918 0.871 1.00 0.00 C ATOM 1678 CD GLU A 110 -21.908 13.734 -0.400 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -22.135 14.959 -0.339 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -21.594 13.159 -1.464 1.00 0.00 O ATOM 0 H GLU A 110 -20.367 12.162 -0.756 1.00 0.00 H new ATOM 0 HA GLU A 110 -18.737 11.967 1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -20.904 12.755 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -20.202 13.869 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -22.285 11.896 0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -22.784 13.326 1.506 1.00 0.00 H new ATOM 1687 N ILE A 111 -20.771 10.379 2.830 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.303 9.142 3.378 1.00 0.00 C ATOM 1689 C ILE A 111 -22.826 9.128 3.293 1.00 0.00 C ATOM 1690 O ILE A 111 -23.496 10.036 3.791 1.00 0.00 O ATOM 1691 CB ILE A 111 -20.879 8.951 4.852 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -19.384 9.238 5.020 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.203 7.537 5.318 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -18.948 9.370 6.463 1.00 0.00 C ATOM 0 H ILE A 111 -20.858 11.183 3.451 1.00 0.00 H new ATOM 0 HA ILE A 111 -20.895 8.324 2.784 1.00 0.00 H new ATOM 0 HB ILE A 111 -21.438 9.656 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -18.814 8.437 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.138 10.158 4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -20.899 7.418 6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.275 7.362 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -20.667 6.818 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -17.878 9.573 6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -19.490 10.190 6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -19.161 8.442 6.994 1.00 0.00 H new ATOM 1706 N GLU A 112 -23.359 8.099 2.655 1.00 0.00 N ATOM 1707 CA GLU A 112 -24.795 7.937 2.494 1.00 0.00 C ATOM 1708 C GLU A 112 -25.402 7.366 3.772 1.00 0.00 C ATOM 1709 O GLU A 112 -24.766 6.484 4.391 1.00 0.00 O ATOM 1710 CB GLU A 112 -25.081 7.015 1.303 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.557 6.871 0.962 1.00 0.00 C ATOM 1712 CD GLU A 112 -26.786 6.204 -0.381 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -26.889 4.961 -0.430 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -26.872 6.924 -1.396 1.00 0.00 O ATOM 1715 OXT GLU A 112 -26.498 7.813 4.166 1.00 0.00 O ATOM 0 H GLU A 112 -22.808 7.351 2.234 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.249 8.909 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -24.554 7.396 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -24.672 6.028 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -27.050 6.289 1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -27.022 7.857 0.957 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 3.524 -15.376 11.737 1.00 1.33 N ATOM 1724 CA CYS B 7 4.264 -14.103 11.611 1.00 1.38 C ATOM 1725 C CYS B 7 3.932 -13.428 10.286 1.00 1.15 C ATOM 1726 O CYS B 7 3.387 -14.057 9.376 1.00 1.28 O ATOM 1727 CB CYS B 7 5.772 -14.358 11.696 1.00 1.79 C ATOM 1728 SG CYS B 7 6.261 -15.491 13.019 1.00 2.58 S ATOM 0 HA CYS B 7 3.966 -13.447 12.429 1.00 1.38 H new ATOM 0 HB2 CYS B 7 6.115 -14.761 10.743 1.00 1.79 H new ATOM 0 HB3 CYS B 7 6.282 -13.406 11.842 1.00 1.79 H new ATOM 0 HG CYS B 7 5.253 -16.248 13.336 1.00 2.58 H new ATOM 1736 N GLN B 8 4.254 -12.149 10.186 1.00 0.90 N ATOM 1737 CA GLN B 8 4.006 -11.383 8.972 1.00 0.76 C ATOM 1738 C GLN B 8 5.025 -11.752 7.892 1.00 0.65 C ATOM 1739 O GLN B 8 6.099 -12.268 8.203 1.00 0.64 O ATOM 1740 CB GLN B 8 4.087 -9.885 9.277 1.00 0.71 C ATOM 1741 CG GLN B 8 2.939 -9.365 10.129 1.00 0.89 C ATOM 1742 CD GLN B 8 1.626 -9.308 9.375 1.00 1.17 C ATOM 1743 OE1 GLN B 8 1.601 -9.190 8.149 1.00 1.79 O ATOM 1744 NE2 GLN B 8 0.526 -9.368 10.102 1.00 1.90 N ATOM 0 H GLN B 8 4.691 -11.614 10.936 1.00 0.90 H new ATOM 0 HA GLN B 8 3.007 -11.621 8.605 1.00 0.76 H new ATOM 0 HB2 GLN B 8 5.028 -9.679 9.788 1.00 0.71 H new ATOM 0 HB3 GLN B 8 4.107 -9.334 8.337 1.00 0.71 H new ATOM 0 HG2 GLN B 8 2.823 -10.005 11.003 1.00 0.89 H new ATOM 0 HG3 GLN B 8 3.186 -8.368 10.494 1.00 0.89 H new ATOM 0 HE21 GLN B 8 0.589 -9.466 11.115 1.00 1.90 H new ATOM 0 HE22 GLN B 8 -0.387 -9.316 9.650 1.00 1.90 H new ATOM 1753 N PRO B 9 4.692 -11.523 6.609 1.00 0.64 N ATOM 1754 CA PRO B 9 5.595 -11.821 5.497 1.00 0.56 C ATOM 1755 C PRO B 9 6.681 -10.758 5.339 1.00 0.44 C ATOM 1756 O PRO B 9 6.665 -9.731 6.022 1.00 0.38 O ATOM 1757 CB PRO B 9 4.662 -11.821 4.286 1.00 0.61 C ATOM 1758 CG PRO B 9 3.581 -10.864 4.647 1.00 0.75 C ATOM 1759 CD PRO B 9 3.407 -10.969 6.139 1.00 0.77 C ATOM 0 HA PRO B 9 6.133 -12.758 5.638 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.185 -11.507 3.383 1.00 0.61 H new ATOM 0 HB3 PRO B 9 4.262 -12.817 4.093 1.00 0.61 H new ATOM 0 HG2 PRO B 9 3.848 -9.848 4.357 1.00 0.75 H new ATOM 0 HG3 PRO B 9 2.654 -11.110 4.129 1.00 0.75 H new ATOM 0 HD2 PRO B 9 3.204 -9.996 6.587 1.00 0.77 H new ATOM 0 HD3 PRO B 9 2.572 -11.620 6.399 1.00 0.77 H new ATOM 1767 N THR B 10 7.615 -11.002 4.435 1.00 0.43 N ATOM 1768 CA THR B 10 8.701 -10.070 4.190 1.00 0.37 C ATOM 1769 C THR B 10 8.268 -8.987 3.202 1.00 0.31 C ATOM 1770 O THR B 10 8.799 -8.886 2.092 1.00 0.39 O ATOM 1771 CB THR B 10 9.939 -10.809 3.649 1.00 0.46 C ATOM 1772 OG1 THR B 10 9.916 -12.181 4.075 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.214 -10.153 4.148 1.00 0.62 C ATOM 0 H THR B 10 7.642 -11.842 3.857 1.00 0.43 H new ATOM 0 HA THR B 10 8.961 -9.598 5.137 1.00 0.37 H new ATOM 0 HB THR B 10 9.917 -10.761 2.560 1.00 0.46 H new ATOM 0 HG1 THR B 10 10.705 -12.645 3.726 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.077 -10.690 3.755 1.00 0.62 H new ATOM 0 HG22 THR B 10 11.246 -9.117 3.811 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.235 -10.181 5.237 1.00 0.62 H new ATOM 1781 N GLU B 11 7.288 -8.191 3.614 1.00 0.30 N ATOM 1782 CA GLU B 11 6.758 -7.118 2.788 1.00 0.31 C ATOM 1783 C GLU B 11 6.143 -6.037 3.670 1.00 0.27 C ATOM 1784 O GLU B 11 5.343 -6.338 4.556 1.00 0.31 O ATOM 1785 CB GLU B 11 5.700 -7.674 1.825 1.00 0.45 C ATOM 1786 CG GLU B 11 4.990 -6.608 1.005 1.00 1.13 C ATOM 1787 CD GLU B 11 3.580 -7.011 0.613 1.00 1.36 C ATOM 1788 OE1 GLU B 11 2.770 -7.321 1.511 1.00 1.65 O ATOM 1789 OE2 GLU B 11 3.258 -6.980 -0.591 1.00 1.83 O ATOM 0 H GLU B 11 6.841 -8.272 4.527 1.00 0.30 H new ATOM 0 HA GLU B 11 7.571 -6.681 2.208 1.00 0.31 H new ATOM 0 HB2 GLU B 11 6.177 -8.382 1.147 1.00 0.45 H new ATOM 0 HB3 GLU B 11 4.959 -8.231 2.398 1.00 0.45 H new ATOM 0 HG2 GLU B 11 4.952 -5.681 1.577 1.00 1.13 H new ATOM 0 HG3 GLU B 11 5.569 -6.404 0.104 1.00 1.13 H new ATOM 1796 N PHE B 12 6.524 -4.785 3.445 1.00 0.30 N ATOM 1797 CA PHE B 12 5.980 -3.682 4.229 1.00 0.30 C ATOM 1798 C PHE B 12 5.828 -2.429 3.379 1.00 0.27 C ATOM 1799 O PHE B 12 6.458 -2.295 2.328 1.00 0.33 O ATOM 1800 CB PHE B 12 6.847 -3.396 5.466 1.00 0.35 C ATOM 1801 CG PHE B 12 8.198 -2.795 5.180 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.250 -3.588 4.754 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.418 -1.437 5.357 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.494 -3.038 4.506 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.660 -0.883 5.113 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.699 -1.685 4.687 1.00 0.40 C ATOM 0 H PHE B 12 7.201 -4.509 2.733 1.00 0.30 H new ATOM 0 HA PHE B 12 4.990 -3.981 4.574 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.300 -2.722 6.125 1.00 0.35 H new ATOM 0 HB3 PHE B 12 6.991 -4.328 6.012 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.097 -4.648 4.614 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.608 -0.805 5.690 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.305 -3.667 4.171 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.817 0.176 5.255 1.00 0.45 H new ATOM 0 HZ PHE B 12 11.671 -1.255 4.496 1.00 0.40 H new ATOM 1816 N ILE B 13 4.984 -1.517 3.838 1.00 0.27 N ATOM 1817 CA ILE B 13 4.732 -0.279 3.121 1.00 0.27 C ATOM 1818 C ILE B 13 5.627 0.847 3.624 1.00 0.29 C ATOM 1819 O ILE B 13 5.529 1.275 4.777 1.00 0.35 O ATOM 1820 CB ILE B 13 3.255 0.152 3.250 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.334 -0.898 2.621 1.00 0.98 C ATOM 1822 CG2 ILE B 13 3.027 1.513 2.604 1.00 0.85 C ATOM 1823 CD1 ILE B 13 2.592 -1.132 1.146 1.00 1.40 C ATOM 0 H ILE B 13 4.460 -1.613 4.708 1.00 0.27 H new ATOM 0 HA ILE B 13 4.958 -0.471 2.072 1.00 0.27 H new ATOM 0 HB ILE B 13 3.017 0.234 4.311 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.454 -1.840 3.155 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.298 -0.586 2.754 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.979 1.794 2.708 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.653 2.258 3.095 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.285 1.462 1.546 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.902 -1.888 0.771 1.00 1.40 H new ATOM 0 HD12 ILE B 13 2.443 -0.201 0.598 1.00 1.40 H new ATOM 0 HD13 ILE B 13 3.617 -1.475 1.006 1.00 1.40 H new ATOM 1835 N SER B 14 6.498 1.320 2.755 1.00 0.34 N ATOM 1836 CA SER B 14 7.397 2.402 3.091 1.00 0.42 C ATOM 1837 C SER B 14 6.786 3.738 2.684 1.00 0.35 C ATOM 1838 O SER B 14 7.073 4.260 1.603 1.00 0.40 O ATOM 1839 CB SER B 14 8.740 2.205 2.392 1.00 0.54 C ATOM 1840 OG SER B 14 9.217 0.887 2.579 1.00 1.47 O ATOM 0 H SER B 14 6.601 0.967 1.803 1.00 0.34 H new ATOM 0 HA SER B 14 7.558 2.403 4.169 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.634 2.410 1.327 1.00 0.54 H new ATOM 0 HB3 SER B 14 9.466 2.918 2.783 1.00 0.54 H new ATOM 0 HG SER B 14 9.201 0.666 3.534 1.00 1.47 H new ATOM 1846 N ARG B 15 5.924 4.272 3.540 1.00 0.31 N ATOM 1847 CA ARG B 15 5.275 5.547 3.268 1.00 0.31 C ATOM 1848 C ARG B 15 6.281 6.680 3.423 1.00 0.27 C ATOM 1849 O ARG B 15 6.560 7.136 4.532 1.00 0.29 O ATOM 1850 CB ARG B 15 4.082 5.771 4.206 1.00 0.42 C ATOM 1851 CG ARG B 15 3.015 4.692 4.118 1.00 0.54 C ATOM 1852 CD ARG B 15 2.023 4.787 5.268 1.00 0.90 C ATOM 1853 NE ARG B 15 0.752 5.390 4.857 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.122 5.953 5.695 1.00 1.85 C ATOM 1855 NH1 ARG B 15 0.138 6.022 6.995 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.263 6.438 5.233 1.00 2.69 N ATOM 0 H ARG B 15 5.659 3.843 4.426 1.00 0.31 H new ATOM 0 HA ARG B 15 4.901 5.531 2.244 1.00 0.31 H new ATOM 0 HB2 ARG B 15 4.445 5.826 5.232 1.00 0.42 H new ATOM 0 HB3 ARG B 15 3.629 6.735 3.977 1.00 0.42 H new ATOM 0 HG2 ARG B 15 2.484 4.782 3.171 1.00 0.54 H new ATOM 0 HG3 ARG B 15 3.489 3.710 4.126 1.00 0.54 H new ATOM 0 HD2 ARG B 15 1.837 3.790 5.668 1.00 0.90 H new ATOM 0 HD3 ARG B 15 2.459 5.378 6.074 1.00 0.90 H new ATOM 0 HE ARG B 15 0.519 5.379 3.864 1.00 1.40 H new ATOM 0 HH11 ARG B 15 1.011 5.643 7.361 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -0.536 6.454 7.628 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -1.475 6.382 4.237 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -1.931 6.868 5.873 1.00 2.69 H new ATOM 1870 N HIS B 16 6.849 7.109 2.309 1.00 0.28 N ATOM 1871 CA HIS B 16 7.826 8.185 2.320 1.00 0.28 C ATOM 1872 C HIS B 16 7.562 9.146 1.174 1.00 0.32 C ATOM 1873 O HIS B 16 6.908 8.786 0.195 1.00 0.40 O ATOM 1874 CB HIS B 16 9.261 7.635 2.241 1.00 0.32 C ATOM 1875 CG HIS B 16 9.602 6.922 0.965 1.00 0.36 C ATOM 1876 ND1 HIS B 16 9.807 7.569 -0.236 1.00 0.54 N ATOM 1877 CD2 HIS B 16 9.795 5.609 0.715 1.00 0.75 C ATOM 1878 CE1 HIS B 16 10.112 6.685 -1.162 1.00 0.46 C ATOM 1879 NE2 HIS B 16 10.110 5.485 -0.615 1.00 0.61 N ATOM 0 H HIS B 16 6.650 6.728 1.384 1.00 0.28 H new ATOM 0 HA HIS B 16 7.726 8.724 3.262 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.958 8.462 2.374 1.00 0.32 H new ATOM 0 HB3 HIS B 16 9.417 6.950 3.074 1.00 0.32 H new ATOM 0 HD1 HIS B 16 9.734 8.576 -0.383 1.00 0.54 H new ATOM 0 HD2 HIS B 16 9.716 4.804 1.431 1.00 0.75 H new ATOM 0 HE1 HIS B 16 10.328 6.905 -2.197 1.00 0.46 H new ATOM 1888 N ASN B 17 8.078 10.357 1.294 1.00 0.31 N ATOM 1889 CA ASN B 17 7.895 11.371 0.263 1.00 0.39 C ATOM 1890 C ASN B 17 8.835 11.116 -0.918 1.00 0.35 C ATOM 1891 O ASN B 17 9.618 10.160 -0.900 1.00 0.32 O ATOM 1892 CB ASN B 17 8.110 12.778 0.843 1.00 0.49 C ATOM 1893 CG ASN B 17 9.572 13.188 0.944 1.00 0.95 C ATOM 1894 OD1 ASN B 17 10.469 12.355 1.072 1.00 2.04 O ATOM 1895 ND2 ASN B 17 9.816 14.484 0.891 1.00 0.59 N ATOM 0 H ASN B 17 8.628 10.665 2.096 1.00 0.31 H new ATOM 0 HA ASN B 17 6.870 11.309 -0.102 1.00 0.39 H new ATOM 0 HB2 ASN B 17 7.582 13.501 0.221 1.00 0.49 H new ATOM 0 HB3 ASN B 17 7.661 12.824 1.835 1.00 0.49 H new ATOM 0 HD21 ASN B 17 10.775 14.826 0.957 1.00 0.59 H new ATOM 0 HD22 ASN B 17 9.046 15.144 0.784 1.00 0.59 H new ATOM 1902 N ILE B 18 8.764 11.976 -1.927 1.00 0.40 N ATOM 1903 CA ILE B 18 9.590 11.844 -3.133 1.00 0.45 C ATOM 1904 C ILE B 18 11.095 11.929 -2.849 1.00 0.44 C ATOM 1905 O ILE B 18 11.906 11.463 -3.649 1.00 0.52 O ATOM 1906 CB ILE B 18 9.218 12.913 -4.183 1.00 0.53 C ATOM 1907 CG1 ILE B 18 9.280 14.312 -3.566 1.00 0.59 C ATOM 1908 CG2 ILE B 18 7.833 12.639 -4.750 1.00 0.57 C ATOM 1909 CD1 ILE B 18 9.159 15.428 -4.580 1.00 0.70 C ATOM 0 H ILE B 18 8.138 12.781 -1.938 1.00 0.40 H new ATOM 0 HA ILE B 18 9.379 10.848 -3.522 1.00 0.45 H new ATOM 0 HB ILE B 18 9.940 12.865 -4.998 1.00 0.53 H new ATOM 0 HG12 ILE B 18 8.481 14.412 -2.832 1.00 0.59 H new ATOM 0 HG13 ILE B 18 10.222 14.421 -3.029 1.00 0.59 H new ATOM 0 HG21 ILE B 18 7.585 13.401 -5.489 1.00 0.57 H new ATOM 0 HG22 ILE B 18 7.821 11.657 -5.223 1.00 0.57 H new ATOM 0 HG23 ILE B 18 7.099 12.662 -3.945 1.00 0.57 H new ATOM 0 HD11 ILE B 18 9.211 16.390 -4.070 1.00 0.70 H new ATOM 0 HD12 ILE B 18 9.973 15.355 -5.301 1.00 0.70 H new ATOM 0 HD13 ILE B 18 8.205 15.345 -5.101 1.00 0.70 H new ATOM 1921 N GLU B 19 11.471 12.515 -1.720 1.00 0.41 N ATOM 1922 CA GLU B 19 12.881 12.652 -1.369 1.00 0.45 C ATOM 1923 C GLU B 19 13.385 11.410 -0.641 1.00 0.41 C ATOM 1924 O GLU B 19 14.586 11.239 -0.436 1.00 0.51 O ATOM 1925 CB GLU B 19 13.091 13.891 -0.504 1.00 0.50 C ATOM 1926 CG GLU B 19 12.670 15.177 -1.188 1.00 0.65 C ATOM 1927 CD GLU B 19 12.682 16.353 -0.243 1.00 1.21 C ATOM 1928 OE1 GLU B 19 11.871 16.364 0.708 1.00 1.92 O ATOM 1929 OE2 GLU B 19 13.505 17.268 -0.434 1.00 1.28 O ATOM 0 H GLU B 19 10.824 12.902 -1.033 1.00 0.41 H new ATOM 0 HA GLU B 19 13.452 12.762 -2.291 1.00 0.45 H new ATOM 0 HB2 GLU B 19 12.528 13.779 0.422 1.00 0.50 H new ATOM 0 HB3 GLU B 19 14.144 13.961 -0.230 1.00 0.50 H new ATOM 0 HG2 GLU B 19 13.339 15.378 -2.025 1.00 0.65 H new ATOM 0 HG3 GLU B 19 11.669 15.056 -1.602 1.00 0.65 H new ATOM 1936 N GLY B 20 12.462 10.542 -0.250 1.00 0.33 N ATOM 1937 CA GLY B 20 12.841 9.330 0.444 1.00 0.32 C ATOM 1938 C GLY B 20 12.613 9.424 1.936 1.00 0.29 C ATOM 1939 O GLY B 20 12.816 8.449 2.658 1.00 0.34 O ATOM 0 H GLY B 20 11.460 10.656 -0.401 1.00 0.33 H new ATOM 0 HA2 GLY B 20 12.270 8.492 0.044 1.00 0.32 H new ATOM 0 HA3 GLY B 20 13.893 9.119 0.253 1.00 0.32 H new ATOM 1943 N ILE B 21 12.182 10.597 2.387 1.00 0.27 N ATOM 1944 CA ILE B 21 11.917 10.838 3.799 1.00 0.28 C ATOM 1945 C ILE B 21 10.666 10.088 4.232 1.00 0.27 C ATOM 1946 O ILE B 21 9.571 10.352 3.730 1.00 0.31 O ATOM 1947 CB ILE B 21 11.730 12.346 4.091 1.00 0.32 C ATOM 1948 CG1 ILE B 21 13.029 13.111 3.812 1.00 0.37 C ATOM 1949 CG2 ILE B 21 11.276 12.568 5.529 1.00 0.41 C ATOM 1950 CD1 ILE B 21 14.132 12.834 4.816 1.00 0.47 C ATOM 0 H ILE B 21 12.007 11.403 1.787 1.00 0.27 H new ATOM 0 HA ILE B 21 12.779 10.480 4.361 1.00 0.28 H new ATOM 0 HB ILE B 21 10.954 12.728 3.428 1.00 0.32 H new ATOM 0 HG12 ILE B 21 13.385 12.852 2.815 1.00 0.37 H new ATOM 0 HG13 ILE B 21 12.816 14.180 3.807 1.00 0.37 H new ATOM 0 HG21 ILE B 21 11.151 13.636 5.711 1.00 0.41 H new ATOM 0 HG22 ILE B 21 10.326 12.059 5.694 1.00 0.41 H new ATOM 0 HG23 ILE B 21 12.025 12.169 6.213 1.00 0.41 H new ATOM 0 HD11 ILE B 21 15.018 13.411 4.552 1.00 0.47 H new ATOM 0 HD12 ILE B 21 13.797 13.120 5.813 1.00 0.47 H new ATOM 0 HD13 ILE B 21 14.375 11.771 4.806 1.00 0.47 H new ATOM 1962 N PHE B 22 10.837 9.143 5.141 1.00 0.25 N ATOM 1963 CA PHE B 22 9.724 8.347 5.637 1.00 0.27 C ATOM 1964 C PHE B 22 8.803 9.168 6.530 1.00 0.28 C ATOM 1965 O PHE B 22 9.243 9.738 7.530 1.00 0.35 O ATOM 1966 CB PHE B 22 10.238 7.142 6.426 1.00 0.31 C ATOM 1967 CG PHE B 22 10.882 6.082 5.582 1.00 0.33 C ATOM 1968 CD1 PHE B 22 12.208 6.189 5.199 1.00 0.38 C ATOM 1969 CD2 PHE B 22 10.162 4.968 5.185 1.00 0.36 C ATOM 1970 CE1 PHE B 22 12.804 5.206 4.436 1.00 0.45 C ATOM 1971 CE2 PHE B 22 10.752 3.984 4.418 1.00 0.44 C ATOM 1972 CZ PHE B 22 12.075 4.102 4.045 1.00 0.46 C ATOM 0 H PHE B 22 11.740 8.907 5.553 1.00 0.25 H new ATOM 0 HA PHE B 22 9.159 8.007 4.769 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.959 7.488 7.167 1.00 0.31 H new ATOM 0 HB3 PHE B 22 9.406 6.699 6.973 1.00 0.31 H new ATOM 0 HD1 PHE B 22 12.783 7.052 5.501 1.00 0.38 H new ATOM 0 HD2 PHE B 22 9.128 4.868 5.479 1.00 0.36 H new ATOM 0 HE1 PHE B 22 13.840 5.301 4.145 1.00 0.45 H new ATOM 0 HE2 PHE B 22 10.178 3.122 4.110 1.00 0.44 H new ATOM 0 HZ PHE B 22 12.539 3.331 3.448 1.00 0.46 H new ATOM 1982 N THR B 23 7.530 9.229 6.163 1.00 0.27 N ATOM 1983 CA THR B 23 6.543 9.946 6.950 1.00 0.30 C ATOM 1984 C THR B 23 5.885 8.975 7.924 1.00 0.27 C ATOM 1985 O THR B 23 5.408 9.359 8.994 1.00 0.33 O ATOM 1986 CB THR B 23 5.472 10.606 6.057 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.068 9.699 5.020 1.00 1.35 O ATOM 1988 CG2 THR B 23 6.008 11.889 5.435 1.00 1.14 C ATOM 0 H THR B 23 7.158 8.788 5.322 1.00 0.27 H new ATOM 0 HA THR B 23 7.048 10.743 7.496 1.00 0.30 H new ATOM 0 HB THR B 23 4.611 10.851 6.679 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.387 10.126 4.459 1.00 1.35 H new ATOM 0 HG21 THR B 23 5.238 12.339 4.809 1.00 1.14 H new ATOM 0 HG22 THR B 23 6.288 12.587 6.224 1.00 1.14 H new ATOM 0 HG23 THR B 23 6.883 11.660 4.826 1.00 1.14 H new ATOM 1996 N PHE B 24 5.878 7.703 7.533 1.00 0.25 N ATOM 1997 CA PHE B 24 5.319 6.630 8.341 1.00 0.28 C ATOM 1998 C PHE B 24 5.798 5.291 7.797 1.00 0.26 C ATOM 1999 O PHE B 24 5.843 5.089 6.586 1.00 0.27 O ATOM 2000 CB PHE B 24 3.785 6.675 8.344 1.00 0.36 C ATOM 2001 CG PHE B 24 3.157 5.615 9.209 1.00 0.46 C ATOM 2002 CD1 PHE B 24 3.159 5.732 10.588 1.00 0.59 C ATOM 2003 CD2 PHE B 24 2.569 4.498 8.638 1.00 0.51 C ATOM 2004 CE1 PHE B 24 2.588 4.755 11.381 1.00 0.71 C ATOM 2005 CE2 PHE B 24 1.995 3.518 9.425 1.00 0.61 C ATOM 2006 CZ PHE B 24 2.005 3.647 10.799 1.00 0.70 C ATOM 0 H PHE B 24 6.263 7.389 6.642 1.00 0.25 H new ATOM 0 HA PHE B 24 5.658 6.757 9.369 1.00 0.28 H new ATOM 0 HB2 PHE B 24 3.458 7.656 8.690 1.00 0.36 H new ATOM 0 HB3 PHE B 24 3.424 6.561 7.322 1.00 0.36 H new ATOM 0 HD1 PHE B 24 3.612 6.597 11.050 1.00 0.59 H new ATOM 0 HD2 PHE B 24 2.559 4.392 7.563 1.00 0.51 H new ATOM 0 HE1 PHE B 24 2.598 4.858 12.456 1.00 0.71 H new ATOM 0 HE2 PHE B 24 1.540 2.653 8.966 1.00 0.61 H new ATOM 0 HZ PHE B 24 1.558 2.883 11.418 1.00 0.70 H new ATOM 2016 N VAL B 25 6.166 4.388 8.685 1.00 0.26 N ATOM 2017 CA VAL B 25 6.641 3.076 8.273 1.00 0.27 C ATOM 2018 C VAL B 25 5.680 2.000 8.752 1.00 0.26 C ATOM 2019 O VAL B 25 5.305 1.978 9.926 1.00 0.25 O ATOM 2020 CB VAL B 25 8.053 2.781 8.824 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.661 1.571 8.127 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.953 3.996 8.670 1.00 0.78 C ATOM 0 H VAL B 25 6.146 4.535 9.694 1.00 0.26 H new ATOM 0 HA VAL B 25 6.691 3.073 7.184 1.00 0.27 H new ATOM 0 HB VAL B 25 7.964 2.554 9.886 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.656 1.381 8.530 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.029 0.699 8.294 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.734 1.766 7.057 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.943 3.768 9.064 1.00 0.78 H new ATOM 0 HG22 VAL B 25 9.034 4.257 7.615 1.00 0.78 H new ATOM 0 HG23 VAL B 25 8.528 4.836 9.220 1.00 0.78 H new ATOM 2032 N ASP B 26 5.269 1.125 7.842 1.00 0.27 N ATOM 2033 CA ASP B 26 4.352 0.047 8.188 1.00 0.29 C ATOM 2034 C ASP B 26 4.989 -0.871 9.225 1.00 0.24 C ATOM 2035 O ASP B 26 6.203 -1.096 9.215 1.00 0.22 O ATOM 2036 CB ASP B 26 3.953 -0.747 6.941 1.00 0.39 C ATOM 2037 CG ASP B 26 2.984 -1.879 7.236 1.00 0.48 C ATOM 2038 OD1 ASP B 26 2.179 -1.759 8.184 1.00 0.72 O ATOM 2039 OD2 ASP B 26 3.026 -2.896 6.518 1.00 0.78 O ATOM 0 H ASP B 26 5.555 1.141 6.863 1.00 0.27 H new ATOM 0 HA ASP B 26 3.449 0.484 8.614 1.00 0.29 H new ATOM 0 HB2 ASP B 26 3.501 -0.070 6.217 1.00 0.39 H new ATOM 0 HB3 ASP B 26 4.850 -1.157 6.477 1.00 0.39 H new ATOM 2044 N HIS B 27 4.163 -1.405 10.109 1.00 0.26 N ATOM 2045 CA HIS B 27 4.624 -2.284 11.181 1.00 0.26 C ATOM 2046 C HIS B 27 4.945 -3.685 10.660 1.00 0.23 C ATOM 2047 O HIS B 27 4.424 -4.683 11.161 1.00 0.26 O ATOM 2048 CB HIS B 27 3.585 -2.359 12.312 1.00 0.34 C ATOM 2049 CG HIS B 27 2.155 -2.272 11.856 1.00 0.50 C ATOM 2050 ND1 HIS B 27 1.509 -3.286 11.186 1.00 0.70 N ATOM 2051 CD2 HIS B 27 1.247 -1.275 11.984 1.00 0.66 C ATOM 2052 CE1 HIS B 27 0.271 -2.915 10.920 1.00 0.86 C ATOM 2053 NE2 HIS B 27 0.082 -1.698 11.396 1.00 0.83 N ATOM 0 H HIS B 27 3.156 -1.245 10.108 1.00 0.26 H new ATOM 0 HA HIS B 27 5.544 -1.856 11.580 1.00 0.26 H new ATOM 0 HB2 HIS B 27 3.724 -3.295 12.853 1.00 0.34 H new ATOM 0 HB3 HIS B 27 3.777 -1.551 13.018 1.00 0.34 H new ATOM 0 HD2 HIS B 27 1.411 -0.320 12.462 1.00 0.66 H new ATOM 0 HE1 HIS B 27 -0.466 -3.509 10.399 1.00 0.86 H new ATOM 0 HE2 HIS B 27 -0.784 -1.163 11.337 1.00 0.83 H new ATOM 2062 N ARG B 28 5.801 -3.741 9.649 1.00 0.24 N ATOM 2063 CA ARG B 28 6.220 -5.001 9.051 1.00 0.27 C ATOM 2064 C ARG B 28 7.686 -4.935 8.627 1.00 0.24 C ATOM 2065 O ARG B 28 8.247 -5.911 8.126 1.00 0.28 O ATOM 2066 CB ARG B 28 5.343 -5.331 7.845 1.00 0.35 C ATOM 2067 CG ARG B 28 4.473 -6.557 8.043 1.00 0.48 C ATOM 2068 CD ARG B 28 3.354 -6.617 7.017 1.00 0.56 C ATOM 2069 NE ARG B 28 2.493 -5.438 7.086 1.00 0.99 N ATOM 2070 CZ ARG B 28 1.187 -5.475 7.327 1.00 1.26 C ATOM 2071 NH1 ARG B 28 0.566 -6.637 7.513 1.00 1.61 N ATOM 2072 NH2 ARG B 28 0.508 -4.341 7.393 1.00 1.87 N ATOM 0 H ARG B 28 6.223 -2.917 9.221 1.00 0.24 H new ATOM 0 HA ARG B 28 6.109 -5.788 9.797 1.00 0.27 H new ATOM 0 HB2 ARG B 28 4.705 -4.475 7.625 1.00 0.35 H new ATOM 0 HB3 ARG B 28 5.980 -5.485 6.974 1.00 0.35 H new ATOM 0 HG2 ARG B 28 5.086 -7.455 7.968 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.048 -6.544 9.047 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.781 -6.698 6.017 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.757 -7.514 7.182 1.00 0.56 H new ATOM 0 HE ARG B 28 2.924 -4.525 6.939 1.00 0.99 H new ATOM 0 HH11 ARG B 28 1.093 -7.509 7.471 1.00 1.61 H new ATOM 0 HH12 ARG B 28 -0.437 -6.655 7.697 1.00 1.61 H new ATOM 0 HH21 ARG B 28 0.988 -3.451 7.259 1.00 1.87 H new ATOM 0 HH22 ARG B 28 -0.495 -4.357 7.577 1.00 1.87 H new ATOM 2086 N CYS B 29 8.310 -3.779 8.841 1.00 0.21 N ATOM 2087 CA CYS B 29 9.708 -3.583 8.474 1.00 0.22 C ATOM 2088 C CYS B 29 10.622 -4.479 9.304 1.00 0.22 C ATOM 2089 O CYS B 29 11.667 -4.932 8.827 1.00 0.25 O ATOM 2090 CB CYS B 29 10.094 -2.116 8.658 1.00 0.27 C ATOM 2091 SG CYS B 29 9.649 -1.443 10.274 1.00 1.34 S ATOM 0 H CYS B 29 7.868 -2.964 9.267 1.00 0.21 H new ATOM 0 HA CYS B 29 9.830 -3.856 7.426 1.00 0.22 H new ATOM 0 HB2 CYS B 29 11.170 -2.012 8.515 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.611 -1.523 7.882 1.00 0.27 H new ATOM 0 HG CYS B 29 10.659 -1.557 11.085 1.00 1.34 H new ATOM 2097 N VAL B 30 10.210 -4.754 10.539 1.00 0.24 N ATOM 2098 CA VAL B 30 10.986 -5.600 11.435 1.00 0.31 C ATOM 2099 C VAL B 30 10.982 -7.039 10.932 1.00 0.33 C ATOM 2100 O VAL B 30 11.969 -7.762 11.066 1.00 0.38 O ATOM 2101 CB VAL B 30 10.437 -5.549 12.877 1.00 0.39 C ATOM 2102 CG1 VAL B 30 11.327 -6.336 13.827 1.00 1.01 C ATOM 2103 CG2 VAL B 30 10.298 -4.109 13.345 1.00 0.92 C ATOM 0 H VAL B 30 9.341 -4.401 10.941 1.00 0.24 H new ATOM 0 HA VAL B 30 12.008 -5.221 11.448 1.00 0.31 H new ATOM 0 HB VAL B 30 9.449 -6.010 12.879 1.00 0.39 H new ATOM 0 HG11 VAL B 30 10.918 -6.284 14.836 1.00 1.01 H new ATOM 0 HG12 VAL B 30 11.371 -7.377 13.506 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.331 -5.912 13.820 1.00 1.01 H new ATOM 0 HG21 VAL B 30 9.910 -4.093 14.363 1.00 0.92 H new ATOM 0 HG22 VAL B 30 11.273 -3.623 13.321 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.611 -3.577 12.687 1.00 0.92 H new ATOM 2113 N ALA B 31 9.877 -7.436 10.318 1.00 0.34 N ATOM 2114 CA ALA B 31 9.741 -8.781 9.779 1.00 0.40 C ATOM 2115 C ALA B 31 10.373 -8.872 8.393 1.00 0.39 C ATOM 2116 O ALA B 31 10.408 -9.937 7.781 1.00 0.45 O ATOM 2117 CB ALA B 31 8.273 -9.178 9.721 1.00 0.46 C ATOM 0 H ALA B 31 9.059 -6.843 10.180 1.00 0.34 H new ATOM 0 HA ALA B 31 10.265 -9.473 10.439 1.00 0.40 H new ATOM 0 HB1 ALA B 31 8.184 -10.186 9.316 1.00 0.46 H new ATOM 0 HB2 ALA B 31 7.849 -9.152 10.725 1.00 0.46 H new ATOM 0 HB3 ALA B 31 7.733 -8.481 9.081 1.00 0.46 H new ATOM 2123 N THR B 32 10.877 -7.747 7.905 1.00 0.36 N ATOM 2124 CA THR B 32 11.501 -7.707 6.595 1.00 0.38 C ATOM 2125 C THR B 32 13.019 -7.548 6.697 1.00 0.42 C ATOM 2126 O THR B 32 13.765 -8.488 6.427 1.00 0.48 O ATOM 2127 CB THR B 32 10.916 -6.569 5.735 1.00 0.37 C ATOM 2128 OG1 THR B 32 9.489 -6.685 5.682 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.481 -6.603 4.321 1.00 0.44 C ATOM 0 H THR B 32 10.865 -6.854 8.397 1.00 0.36 H new ATOM 0 HA THR B 32 11.287 -8.661 6.113 1.00 0.38 H new ATOM 0 HB THR B 32 11.193 -5.620 6.195 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.106 -6.411 6.542 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.051 -5.789 3.738 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.564 -6.489 4.359 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.233 -7.556 3.853 1.00 0.44 H new ATOM 2137 N VAL B 33 13.471 -6.369 7.107 1.00 0.42 N ATOM 2138 CA VAL B 33 14.902 -6.102 7.214 1.00 0.52 C ATOM 2139 C VAL B 33 15.349 -5.988 8.668 1.00 0.57 C ATOM 2140 O VAL B 33 16.519 -5.721 8.943 1.00 0.99 O ATOM 2141 CB VAL B 33 15.300 -4.814 6.459 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.276 -5.045 4.957 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.385 -3.657 6.834 1.00 0.51 C ATOM 0 H VAL B 33 12.872 -5.586 7.370 1.00 0.42 H new ATOM 0 HA VAL B 33 15.406 -6.953 6.755 1.00 0.52 H new ATOM 0 HB VAL B 33 16.316 -4.552 6.753 1.00 0.56 H new ATOM 0 HG11 VAL B 33 15.559 -4.126 4.443 1.00 0.67 H new ATOM 0 HG12 VAL B 33 15.980 -5.837 4.699 1.00 0.67 H new ATOM 0 HG13 VAL B 33 14.272 -5.338 4.650 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.687 -2.763 6.289 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.356 -3.909 6.577 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.456 -3.470 7.905 1.00 0.51 H new ATOM 2153 N GLY B 34 14.413 -6.175 9.590 1.00 0.36 N ATOM 2154 CA GLY B 34 14.733 -6.103 11.007 1.00 0.38 C ATOM 2155 C GLY B 34 14.885 -4.682 11.518 1.00 0.33 C ATOM 2156 O GLY B 34 15.193 -4.468 12.690 1.00 0.38 O ATOM 0 H GLY B 34 13.435 -6.376 9.383 1.00 0.36 H new ATOM 0 HA2 GLY B 34 13.949 -6.604 11.575 1.00 0.38 H new ATOM 0 HA3 GLY B 34 15.658 -6.649 11.191 1.00 0.38 H new ATOM 2160 N TYR B 35 14.665 -3.712 10.645 1.00 0.32 N ATOM 2161 CA TYR B 35 14.785 -2.310 11.018 1.00 0.31 C ATOM 2162 C TYR B 35 13.513 -1.820 11.692 1.00 0.29 C ATOM 2163 O TYR B 35 12.406 -2.185 11.289 1.00 0.35 O ATOM 2164 CB TYR B 35 15.084 -1.456 9.786 1.00 0.33 C ATOM 2165 CG TYR B 35 16.535 -1.061 9.663 1.00 0.30 C ATOM 2166 CD1 TYR B 35 17.108 -0.181 10.568 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.329 -1.562 8.643 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.434 0.188 10.464 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.656 -1.198 8.532 1.00 0.30 C ATOM 2170 CZ TYR B 35 19.204 -0.324 9.443 1.00 0.30 C ATOM 2171 OH TYR B 35 20.528 0.035 9.338 1.00 0.34 O ATOM 0 H TYR B 35 14.402 -3.869 9.672 1.00 0.32 H new ATOM 0 HA TYR B 35 15.610 -2.216 11.724 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.789 -2.006 8.892 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.472 -0.554 9.822 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.506 0.223 11.369 1.00 0.39 H new ATOM 0 HD2 TYR B 35 16.903 -2.247 7.925 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.865 0.874 11.178 1.00 0.39 H new ATOM 0 HE2 TYR B 35 19.262 -1.598 7.733 1.00 0.30 H new ATOM 0 HH TYR B 35 20.617 0.776 8.703 1.00 0.34 H new ATOM 2181 N GLN B 36 13.673 -1.004 12.723 1.00 0.30 N ATOM 2182 CA GLN B 36 12.532 -0.460 13.442 1.00 0.31 C ATOM 2183 C GLN B 36 11.962 0.719 12.665 1.00 0.30 C ATOM 2184 O GLN B 36 12.706 1.435 11.994 1.00 0.35 O ATOM 2185 CB GLN B 36 12.938 -0.012 14.849 1.00 0.40 C ATOM 2186 CG GLN B 36 13.737 -1.048 15.627 1.00 0.42 C ATOM 2187 CD GLN B 36 13.019 -2.377 15.772 1.00 0.81 C ATOM 2188 OE1 GLN B 36 12.205 -2.559 16.676 1.00 1.63 O ATOM 2189 NE2 GLN B 36 13.335 -3.323 14.900 1.00 1.29 N ATOM 0 H GLN B 36 14.580 -0.705 13.080 1.00 0.30 H new ATOM 0 HA GLN B 36 11.774 -1.237 13.538 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.527 0.902 14.771 1.00 0.40 H new ATOM 0 HB3 GLN B 36 12.039 0.236 15.413 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.691 -1.212 15.126 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.961 -0.654 16.618 1.00 0.42 H new ATOM 0 HE21 GLN B 36 14.015 -3.132 14.164 1.00 1.29 H new ATOM 0 HE22 GLN B 36 12.898 -4.242 14.964 1.00 1.29 H new ATOM 2198 N PRO B 37 10.640 0.946 12.744 1.00 0.33 N ATOM 2199 CA PRO B 37 9.986 2.050 12.030 1.00 0.35 C ATOM 2200 C PRO B 37 10.609 3.401 12.365 1.00 0.31 C ATOM 2201 O PRO B 37 10.772 4.261 11.498 1.00 0.30 O ATOM 2202 CB PRO B 37 8.538 1.995 12.526 1.00 0.43 C ATOM 2203 CG PRO B 37 8.344 0.597 12.996 1.00 0.49 C ATOM 2204 CD PRO B 37 9.677 0.147 13.526 1.00 0.40 C ATOM 0 HA PRO B 37 10.082 1.947 10.949 1.00 0.35 H new ATOM 0 HB2 PRO B 37 8.370 2.709 13.332 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.838 2.244 11.728 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.580 0.549 13.772 1.00 0.49 H new ATOM 0 HG3 PRO B 37 8.011 -0.046 12.181 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.770 0.338 14.595 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.828 -0.922 13.379 1.00 0.40 H new ATOM 2212 N GLN B 38 10.985 3.566 13.624 1.00 0.33 N ATOM 2213 CA GLN B 38 11.582 4.807 14.101 1.00 0.35 C ATOM 2214 C GLN B 38 12.957 5.053 13.478 1.00 0.34 C ATOM 2215 O GLN B 38 13.398 6.199 13.366 1.00 0.33 O ATOM 2216 CB GLN B 38 11.689 4.782 15.624 1.00 0.46 C ATOM 2217 CG GLN B 38 10.346 4.617 16.319 1.00 0.57 C ATOM 2218 CD GLN B 38 10.022 3.171 16.654 1.00 1.14 C ATOM 2219 OE1 GLN B 38 10.549 2.239 16.044 1.00 2.03 O ATOM 2220 NE2 GLN B 38 9.130 2.976 17.608 1.00 1.34 N ATOM 0 H GLN B 38 10.886 2.848 14.342 1.00 0.33 H new ATOM 0 HA GLN B 38 10.933 5.628 13.796 1.00 0.35 H new ATOM 0 HB2 GLN B 38 12.347 3.966 15.922 1.00 0.46 H new ATOM 0 HB3 GLN B 38 12.155 5.707 15.964 1.00 0.46 H new ATOM 0 HG2 GLN B 38 10.344 5.206 17.236 1.00 0.57 H new ATOM 0 HG3 GLN B 38 9.561 5.020 15.680 1.00 0.57 H new ATOM 0 HE21 GLN B 38 8.716 3.774 18.090 1.00 1.34 H new ATOM 0 HE22 GLN B 38 8.855 2.027 17.863 1.00 1.34 H new ATOM 2229 N GLU B 39 13.622 3.981 13.060 1.00 0.39 N ATOM 2230 CA GLU B 39 14.942 4.093 12.447 1.00 0.44 C ATOM 2231 C GLU B 39 14.828 4.657 11.033 1.00 0.44 C ATOM 2232 O GLU B 39 15.791 5.193 10.485 1.00 0.53 O ATOM 2233 CB GLU B 39 15.641 2.729 12.418 1.00 0.55 C ATOM 2234 CG GLU B 39 15.853 2.119 13.796 1.00 0.59 C ATOM 2235 CD GLU B 39 16.768 0.913 13.762 1.00 1.16 C ATOM 2236 OE1 GLU B 39 18.005 1.100 13.802 1.00 1.59 O ATOM 2237 OE2 GLU B 39 16.259 -0.227 13.696 1.00 1.69 O ATOM 0 H GLU B 39 13.270 3.026 13.134 1.00 0.39 H new ATOM 0 HA GLU B 39 15.541 4.777 13.048 1.00 0.44 H new ATOM 0 HB2 GLU B 39 15.050 2.041 11.813 1.00 0.55 H new ATOM 0 HB3 GLU B 39 16.608 2.837 11.926 1.00 0.55 H new ATOM 0 HG2 GLU B 39 16.274 2.872 14.462 1.00 0.59 H new ATOM 0 HG3 GLU B 39 14.889 1.828 14.213 1.00 0.59 H new ATOM 2244 N LEU B 40 13.643 4.533 10.449 1.00 0.41 N ATOM 2245 CA LEU B 40 13.399 5.038 9.105 1.00 0.44 C ATOM 2246 C LEU B 40 12.713 6.402 9.161 1.00 0.40 C ATOM 2247 O LEU B 40 12.898 7.236 8.275 1.00 0.45 O ATOM 2248 CB LEU B 40 12.532 4.058 8.304 1.00 0.50 C ATOM 2249 CG LEU B 40 13.250 2.823 7.743 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.588 3.202 7.132 1.00 1.10 C ATOM 2251 CD2 LEU B 40 13.432 1.767 8.821 1.00 1.24 C ATOM 0 H LEU B 40 12.836 4.087 10.885 1.00 0.41 H new ATOM 0 HA LEU B 40 14.363 5.144 8.607 1.00 0.44 H new ATOM 0 HB2 LEU B 40 11.717 3.720 8.944 1.00 0.50 H new ATOM 0 HB3 LEU B 40 12.081 4.600 7.473 1.00 0.50 H new ATOM 0 HG LEU B 40 12.626 2.402 6.955 1.00 0.53 H new ATOM 0 HD11 LEU B 40 15.076 2.309 6.742 1.00 1.10 H new ATOM 0 HD12 LEU B 40 14.429 3.912 6.321 1.00 1.10 H new ATOM 0 HD13 LEU B 40 15.220 3.657 7.894 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.943 0.901 8.400 1.00 1.24 H new ATOM 0 HD22 LEU B 40 14.027 2.178 9.636 1.00 1.24 H new ATOM 0 HD23 LEU B 40 12.457 1.463 9.201 1.00 1.24 H new ATOM 2263 N LEU B 41 11.918 6.616 10.206 1.00 0.34 N ATOM 2264 CA LEU B 41 11.191 7.870 10.389 1.00 0.34 C ATOM 2265 C LEU B 41 12.143 9.061 10.442 1.00 0.38 C ATOM 2266 O LEU B 41 12.954 9.182 11.364 1.00 0.43 O ATOM 2267 CB LEU B 41 10.355 7.818 11.671 1.00 0.29 C ATOM 2268 CG LEU B 41 9.103 6.943 11.602 1.00 0.28 C ATOM 2269 CD1 LEU B 41 8.566 6.668 12.997 1.00 0.30 C ATOM 2270 CD2 LEU B 41 8.039 7.609 10.744 1.00 0.30 C ATOM 0 H LEU B 41 11.760 5.931 10.945 1.00 0.34 H new ATOM 0 HA LEU B 41 10.530 7.998 9.532 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.987 7.456 12.482 1.00 0.29 H new ATOM 0 HB3 LEU B 41 10.054 8.833 11.930 1.00 0.29 H new ATOM 0 HG LEU B 41 9.372 5.991 11.144 1.00 0.28 H new ATOM 0 HD11 LEU B 41 7.675 6.044 12.927 1.00 0.30 H new ATOM 0 HD12 LEU B 41 9.326 6.152 13.584 1.00 0.30 H new ATOM 0 HD13 LEU B 41 8.312 7.611 13.481 1.00 0.30 H new ATOM 0 HD21 LEU B 41 7.154 6.974 10.704 1.00 0.30 H new ATOM 0 HD22 LEU B 41 7.774 8.574 11.176 1.00 0.30 H new ATOM 0 HD23 LEU B 41 8.425 7.757 9.735 1.00 0.30 H new ATOM 2282 N GLY B 42 12.042 9.930 9.446 1.00 0.43 N ATOM 2283 CA GLY B 42 12.889 11.105 9.387 1.00 0.51 C ATOM 2284 C GLY B 42 14.149 10.868 8.579 1.00 0.49 C ATOM 2285 O GLY B 42 14.939 11.789 8.359 1.00 0.53 O ATOM 0 H GLY B 42 11.383 9.841 8.672 1.00 0.43 H new ATOM 0 HA2 GLY B 42 12.329 11.931 8.949 1.00 0.51 H new ATOM 0 HA3 GLY B 42 13.161 11.405 10.399 1.00 0.51 H new ATOM 2289 N LYS B 43 14.339 9.637 8.133 1.00 0.46 N ATOM 2290 CA LYS B 43 15.512 9.281 7.351 1.00 0.47 C ATOM 2291 C LYS B 43 15.137 9.048 5.894 1.00 0.40 C ATOM 2292 O LYS B 43 13.955 9.015 5.545 1.00 0.50 O ATOM 2293 CB LYS B 43 16.182 8.034 7.934 1.00 0.57 C ATOM 2294 CG LYS B 43 16.921 8.285 9.242 1.00 0.73 C ATOM 2295 CD LYS B 43 18.286 8.919 9.007 1.00 0.81 C ATOM 2296 CE LYS B 43 18.185 10.416 8.757 1.00 1.70 C ATOM 2297 NZ LYS B 43 19.223 10.887 7.802 1.00 2.45 N ATOM 0 H LYS B 43 13.694 8.865 8.300 1.00 0.46 H new ATOM 0 HA LYS B 43 16.218 10.110 7.395 1.00 0.47 H new ATOM 0 HB2 LYS B 43 15.423 7.269 8.098 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.884 7.635 7.202 1.00 0.57 H new ATOM 0 HG2 LYS B 43 16.322 8.936 9.879 1.00 0.73 H new ATOM 0 HG3 LYS B 43 17.045 7.343 9.776 1.00 0.73 H new ATOM 0 HD2 LYS B 43 18.923 8.738 9.873 1.00 0.81 H new ATOM 0 HD3 LYS B 43 18.765 8.441 8.153 1.00 0.81 H new ATOM 0 HE2 LYS B 43 17.196 10.653 8.365 1.00 1.70 H new ATOM 0 HE3 LYS B 43 18.290 10.950 9.701 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 19.328 11.918 7.884 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 20.130 10.428 8.021 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 18.938 10.644 6.832 1.00 2.45 H new ATOM 2311 N ASN B 44 16.147 8.905 5.049 1.00 0.32 N ATOM 2312 CA ASN B 44 15.933 8.676 3.631 1.00 0.29 C ATOM 2313 C ASN B 44 16.164 7.211 3.296 1.00 0.28 C ATOM 2314 O ASN B 44 17.143 6.612 3.738 1.00 0.30 O ATOM 2315 CB ASN B 44 16.880 9.539 2.789 1.00 0.30 C ATOM 2316 CG ASN B 44 16.653 11.027 2.968 1.00 0.91 C ATOM 2317 OD1 ASN B 44 17.087 11.618 3.957 1.00 1.92 O ATOM 2318 ND2 ASN B 44 15.992 11.651 2.006 1.00 0.70 N ATOM 0 H ASN B 44 17.128 8.944 5.325 1.00 0.32 H new ATOM 0 HA ASN B 44 14.904 8.949 3.399 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.910 9.301 3.054 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.755 9.283 1.737 1.00 0.30 H new ATOM 0 HD21 ASN B 44 15.827 12.656 2.069 1.00 0.70 H new ATOM 0 HD22 ASN B 44 15.647 11.127 1.201 1.00 0.70 H new ATOM 2325 N ILE B 45 15.266 6.640 2.502 1.00 0.25 N ATOM 2326 CA ILE B 45 15.381 5.242 2.094 1.00 0.25 C ATOM 2327 C ILE B 45 16.644 5.022 1.254 1.00 0.24 C ATOM 2328 O ILE B 45 17.181 3.918 1.188 1.00 0.31 O ATOM 2329 CB ILE B 45 14.133 4.786 1.296 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.221 3.296 0.951 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.964 5.622 0.033 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.949 2.729 0.356 1.00 0.28 C ATOM 0 H ILE B 45 14.449 7.122 2.127 1.00 0.25 H new ATOM 0 HA ILE B 45 15.450 4.641 3.001 1.00 0.25 H new ATOM 0 HB ILE B 45 13.256 4.938 1.925 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.039 3.144 0.247 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.469 2.738 1.854 1.00 0.27 H new ATOM 0 HG21 ILE B 45 13.082 5.285 -0.511 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.844 6.671 0.304 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.845 5.509 -0.598 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.090 1.670 0.139 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.131 2.848 1.066 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.710 3.260 -0.565 1.00 0.28 H new ATOM 2344 N VAL B 46 17.128 6.097 0.643 1.00 0.21 N ATOM 2345 CA VAL B 46 18.317 6.041 -0.197 1.00 0.23 C ATOM 2346 C VAL B 46 19.587 5.875 0.648 1.00 0.23 C ATOM 2347 O VAL B 46 20.624 5.436 0.149 1.00 0.29 O ATOM 2348 CB VAL B 46 18.423 7.307 -1.083 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.774 8.531 -0.254 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.430 7.108 -2.205 1.00 1.15 C ATOM 0 H VAL B 46 16.711 7.025 0.715 1.00 0.21 H new ATOM 0 HA VAL B 46 18.224 5.169 -0.845 1.00 0.23 H new ATOM 0 HB VAL B 46 17.445 7.476 -1.533 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.841 9.404 -0.904 1.00 1.08 H new ATOM 0 HG12 VAL B 46 18.001 8.696 0.496 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.732 8.373 0.241 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.483 8.013 -2.811 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.411 6.897 -1.780 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.118 6.271 -2.830 1.00 1.15 H new ATOM 2360 N GLU B 47 19.492 6.197 1.936 1.00 0.23 N ATOM 2361 CA GLU B 47 20.636 6.082 2.837 1.00 0.27 C ATOM 2362 C GLU B 47 20.975 4.619 3.091 1.00 0.25 C ATOM 2363 O GLU B 47 22.130 4.207 2.981 1.00 0.35 O ATOM 2364 CB GLU B 47 20.345 6.777 4.165 1.00 0.34 C ATOM 2365 CG GLU B 47 20.132 8.273 4.041 1.00 0.42 C ATOM 2366 CD GLU B 47 19.900 8.928 5.385 1.00 1.07 C ATOM 2367 OE1 GLU B 47 20.871 9.067 6.159 1.00 1.06 O ATOM 2368 OE2 GLU B 47 18.750 9.307 5.681 1.00 1.96 O ATOM 0 H GLU B 47 18.638 6.538 2.378 1.00 0.23 H new ATOM 0 HA GLU B 47 21.489 6.566 2.361 1.00 0.27 H new ATOM 0 HB2 GLU B 47 19.457 6.329 4.611 1.00 0.34 H new ATOM 0 HB3 GLU B 47 21.173 6.593 4.849 1.00 0.34 H new ATOM 0 HG2 GLU B 47 21.002 8.724 3.564 1.00 0.42 H new ATOM 0 HG3 GLU B 47 19.277 8.465 3.392 1.00 0.42 H new ATOM 2375 N PHE B 48 19.953 3.836 3.409 1.00 0.22 N ATOM 2376 CA PHE B 48 20.128 2.415 3.684 1.00 0.26 C ATOM 2377 C PHE B 48 20.006 1.605 2.396 1.00 0.26 C ATOM 2378 O PHE B 48 19.732 0.405 2.418 1.00 0.33 O ATOM 2379 CB PHE B 48 19.088 1.942 4.704 1.00 0.32 C ATOM 2380 CG PHE B 48 19.010 2.802 5.935 1.00 0.35 C ATOM 2381 CD1 PHE B 48 19.885 2.607 6.990 1.00 0.40 C ATOM 2382 CD2 PHE B 48 18.060 3.804 6.035 1.00 0.39 C ATOM 2383 CE1 PHE B 48 19.816 3.395 8.122 1.00 0.45 C ATOM 2384 CE2 PHE B 48 17.985 4.597 7.165 1.00 0.45 C ATOM 2385 CZ PHE B 48 18.864 4.391 8.210 1.00 0.46 C ATOM 0 H PHE B 48 18.989 4.162 3.483 1.00 0.22 H new ATOM 0 HA PHE B 48 21.124 2.262 4.099 1.00 0.26 H new ATOM 0 HB2 PHE B 48 18.109 1.918 4.226 1.00 0.32 H new ATOM 0 HB3 PHE B 48 19.323 0.920 5.001 1.00 0.32 H new ATOM 0 HD1 PHE B 48 20.631 1.829 6.927 1.00 0.40 H new ATOM 0 HD2 PHE B 48 17.370 3.968 5.221 1.00 0.39 H new ATOM 0 HE1 PHE B 48 20.506 3.232 8.937 1.00 0.45 H new ATOM 0 HE2 PHE B 48 17.240 5.376 7.230 1.00 0.45 H new ATOM 0 HZ PHE B 48 18.807 5.008 9.095 1.00 0.46 H new ATOM 2395 N CYS B 49 20.213 2.275 1.276 1.00 0.23 N ATOM 2396 CA CYS B 49 20.131 1.641 -0.025 1.00 0.28 C ATOM 2397 C CYS B 49 21.524 1.383 -0.577 1.00 0.30 C ATOM 2398 O CYS B 49 22.458 2.138 -0.302 1.00 0.38 O ATOM 2399 CB CYS B 49 19.336 2.527 -0.985 1.00 0.31 C ATOM 2400 SG CYS B 49 19.552 2.124 -2.736 1.00 1.17 S ATOM 0 H CYS B 49 20.441 3.269 1.244 1.00 0.23 H new ATOM 0 HA CYS B 49 19.619 0.684 0.080 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.277 2.451 -0.736 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.627 3.565 -0.826 1.00 0.31 H new ATOM 0 HG CYS B 49 18.761 1.143 -3.056 1.00 1.17 H new ATOM 2406 N HIS B 50 21.655 0.302 -1.339 1.00 0.32 N ATOM 2407 CA HIS B 50 22.920 -0.070 -1.956 1.00 0.38 C ATOM 2408 C HIS B 50 23.436 1.085 -2.809 1.00 0.32 C ATOM 2409 O HIS B 50 22.705 1.597 -3.652 1.00 0.31 O ATOM 2410 CB HIS B 50 22.712 -1.318 -2.820 1.00 0.54 C ATOM 2411 CG HIS B 50 23.957 -2.099 -3.107 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.217 -2.657 -4.336 1.00 1.06 N ATOM 2413 CD2 HIS B 50 24.996 -2.446 -2.313 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.361 -3.310 -4.289 1.00 0.87 C ATOM 2415 NE2 HIS B 50 25.856 -3.196 -3.072 1.00 1.08 N ATOM 0 H HIS B 50 20.888 -0.338 -1.545 1.00 0.32 H new ATOM 0 HA HIS B 50 23.657 -0.289 -1.183 1.00 0.38 H new ATOM 0 HB2 HIS B 50 21.997 -1.972 -2.322 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.263 -1.017 -3.766 1.00 0.54 H new ATOM 0 HD1 HIS B 50 23.617 -2.578 -5.157 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.124 -2.181 -1.274 1.00 1.18 H new ATOM 0 HE1 HIS B 50 25.816 -3.847 -5.108 1.00 0.87 H new ATOM 2424 N PRO B 51 24.685 1.525 -2.584 1.00 0.35 N ATOM 2425 CA PRO B 51 25.291 2.635 -3.335 1.00 0.38 C ATOM 2426 C PRO B 51 25.156 2.487 -4.849 1.00 0.36 C ATOM 2427 O PRO B 51 24.850 3.450 -5.549 1.00 0.46 O ATOM 2428 CB PRO B 51 26.758 2.577 -2.919 1.00 0.47 C ATOM 2429 CG PRO B 51 26.727 1.997 -1.548 1.00 0.72 C ATOM 2430 CD PRO B 51 25.602 0.999 -1.552 1.00 0.44 C ATOM 0 HA PRO B 51 24.800 3.583 -3.113 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.341 1.957 -3.600 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.212 3.568 -2.922 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.675 1.517 -1.305 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.560 2.771 -0.799 1.00 0.72 H new ATOM 0 HD2 PRO B 51 25.954 -0.003 -1.799 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.117 0.935 -0.578 1.00 0.44 H new ATOM 2438 N GLU B 52 25.367 1.276 -5.346 1.00 0.37 N ATOM 2439 CA GLU B 52 25.275 1.004 -6.779 1.00 0.38 C ATOM 2440 C GLU B 52 23.822 0.879 -7.243 1.00 0.37 C ATOM 2441 O GLU B 52 23.560 0.602 -8.417 1.00 0.40 O ATOM 2442 CB GLU B 52 26.042 -0.276 -7.120 1.00 0.45 C ATOM 2443 CG GLU B 52 27.487 -0.263 -6.654 1.00 0.78 C ATOM 2444 CD GLU B 52 27.683 -1.004 -5.349 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.120 -0.574 -4.319 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.396 -2.029 -5.351 1.00 1.70 O ATOM 0 H GLU B 52 25.604 0.462 -4.778 1.00 0.37 H new ATOM 0 HA GLU B 52 25.720 1.849 -7.304 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.531 -1.126 -6.668 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.019 -0.427 -8.199 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.117 -0.713 -7.421 1.00 0.78 H new ATOM 0 HG3 GLU B 52 27.818 0.769 -6.535 1.00 0.78 H new ATOM 2453 N ASP B 53 22.884 1.082 -6.328 1.00 0.36 N ATOM 2454 CA ASP B 53 21.460 0.992 -6.650 1.00 0.37 C ATOM 2455 C ASP B 53 20.725 2.255 -6.218 1.00 0.38 C ATOM 2456 O ASP B 53 19.513 2.374 -6.397 1.00 0.42 O ATOM 2457 CB ASP B 53 20.828 -0.223 -5.966 1.00 0.47 C ATOM 2458 CG ASP B 53 21.321 -1.537 -6.532 1.00 0.48 C ATOM 2459 OD1 ASP B 53 22.351 -2.047 -6.043 1.00 1.10 O ATOM 2460 OD2 ASP B 53 20.682 -2.068 -7.460 1.00 1.09 O ATOM 0 H ASP B 53 23.081 1.311 -5.354 1.00 0.36 H new ATOM 0 HA ASP B 53 21.371 0.882 -7.731 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.046 -0.188 -4.899 1.00 0.47 H new ATOM 0 HB3 ASP B 53 19.744 -0.171 -6.072 1.00 0.47 H new ATOM 2465 N GLN B 54 21.469 3.203 -5.664 1.00 0.41 N ATOM 2466 CA GLN B 54 20.890 4.455 -5.188 1.00 0.47 C ATOM 2467 C GLN B 54 20.319 5.275 -6.338 1.00 0.50 C ATOM 2468 O GLN B 54 19.220 5.825 -6.233 1.00 0.53 O ATOM 2469 CB GLN B 54 21.937 5.255 -4.409 1.00 0.56 C ATOM 2470 CG GLN B 54 22.144 4.734 -2.995 1.00 0.65 C ATOM 2471 CD GLN B 54 23.321 5.372 -2.284 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.327 5.725 -2.900 1.00 1.10 O ATOM 2473 NE2 GLN B 54 23.199 5.527 -0.977 1.00 0.80 N ATOM 0 H GLN B 54 22.478 3.130 -5.532 1.00 0.41 H new ATOM 0 HA GLN B 54 20.064 4.217 -4.518 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.885 5.223 -4.946 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.631 6.300 -4.365 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.239 4.911 -2.414 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.293 3.655 -3.032 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.349 5.221 -0.504 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.955 5.953 -0.441 1.00 0.80 H new ATOM 2482 N GLN B 55 21.054 5.338 -7.441 1.00 0.54 N ATOM 2483 CA GLN B 55 20.599 6.075 -8.610 1.00 0.61 C ATOM 2484 C GLN B 55 19.358 5.405 -9.182 1.00 0.52 C ATOM 2485 O GLN B 55 18.399 6.072 -9.562 1.00 0.52 O ATOM 2486 CB GLN B 55 21.702 6.151 -9.670 1.00 0.76 C ATOM 2487 CG GLN B 55 21.344 7.021 -10.867 1.00 1.33 C ATOM 2488 CD GLN B 55 20.954 8.434 -10.471 1.00 1.73 C ATOM 2489 OE1 GLN B 55 21.442 8.973 -9.480 1.00 2.72 O ATOM 2490 NE2 GLN B 55 20.072 9.042 -11.245 1.00 1.51 N ATOM 0 H GLN B 55 21.964 4.889 -7.549 1.00 0.54 H new ATOM 0 HA GLN B 55 20.352 7.093 -8.310 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.610 6.539 -9.209 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.928 5.143 -10.019 1.00 0.76 H new ATOM 0 HG2 GLN B 55 22.194 7.061 -11.549 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.520 6.560 -11.412 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.690 8.560 -12.059 1.00 1.51 H new ATOM 0 HE22 GLN B 55 19.773 9.993 -11.028 1.00 1.51 H new ATOM 2499 N LEU B 56 19.388 4.078 -9.222 1.00 0.51 N ATOM 2500 CA LEU B 56 18.272 3.289 -9.723 1.00 0.51 C ATOM 2501 C LEU B 56 17.012 3.562 -8.905 1.00 0.42 C ATOM 2502 O LEU B 56 15.917 3.700 -9.458 1.00 0.42 O ATOM 2503 CB LEU B 56 18.618 1.797 -9.670 1.00 0.60 C ATOM 2504 CG LEU B 56 17.517 0.851 -10.155 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.385 0.908 -11.667 1.00 1.29 C ATOM 2506 CD2 LEU B 56 17.800 -0.570 -9.702 1.00 1.42 C ATOM 0 H LEU B 56 20.184 3.522 -8.909 1.00 0.51 H new ATOM 0 HA LEU B 56 18.083 3.575 -10.758 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.511 1.627 -10.271 1.00 0.60 H new ATOM 0 HB3 LEU B 56 18.871 1.536 -8.642 1.00 0.60 H new ATOM 0 HG LEU B 56 16.573 1.174 -9.717 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.597 0.228 -11.989 1.00 1.29 H new ATOM 0 HD12 LEU B 56 17.135 1.924 -11.972 1.00 1.29 H new ATOM 0 HD13 LEU B 56 18.329 0.613 -12.126 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.007 -1.229 -10.056 1.00 1.42 H new ATOM 0 HD22 LEU B 56 18.755 -0.899 -10.111 1.00 1.42 H new ATOM 0 HD23 LEU B 56 17.841 -0.603 -8.613 1.00 1.42 H new ATOM 2518 N LEU B 57 17.177 3.642 -7.591 1.00 0.40 N ATOM 2519 CA LEU B 57 16.062 3.911 -6.697 1.00 0.39 C ATOM 2520 C LEU B 57 15.467 5.282 -6.979 1.00 0.37 C ATOM 2521 O LEU B 57 14.281 5.399 -7.282 1.00 0.39 O ATOM 2522 CB LEU B 57 16.507 3.842 -5.235 1.00 0.48 C ATOM 2523 CG LEU B 57 16.139 2.557 -4.490 1.00 0.60 C ATOM 2524 CD1 LEU B 57 16.106 2.815 -2.994 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.796 2.016 -4.965 1.00 1.15 C ATOM 0 H LEU B 57 18.075 3.524 -7.121 1.00 0.40 H new ATOM 0 HA LEU B 57 15.304 3.148 -6.874 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.589 3.965 -5.198 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.072 4.687 -4.701 1.00 0.48 H new ATOM 0 HG LEU B 57 16.899 1.806 -4.704 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.843 1.895 -2.472 1.00 1.01 H new ATOM 0 HD12 LEU B 57 17.087 3.153 -2.661 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.364 3.582 -2.773 1.00 1.01 H new ATOM 0 HD21 LEU B 57 14.558 1.103 -4.420 1.00 1.15 H new ATOM 0 HD22 LEU B 57 14.020 2.759 -4.784 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.848 1.798 -6.032 1.00 1.15 H new ATOM 2537 N ARG B 58 16.306 6.311 -6.900 1.00 0.42 N ATOM 2538 CA ARG B 58 15.866 7.683 -7.132 1.00 0.50 C ATOM 2539 C ARG B 58 15.239 7.831 -8.514 1.00 0.44 C ATOM 2540 O ARG B 58 14.208 8.487 -8.673 1.00 0.44 O ATOM 2541 CB ARG B 58 17.041 8.654 -6.985 1.00 0.65 C ATOM 2542 CG ARG B 58 16.644 10.111 -7.158 1.00 1.08 C ATOM 2543 CD ARG B 58 17.836 11.043 -7.018 1.00 1.12 C ATOM 2544 NE ARG B 58 17.503 12.403 -7.438 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.355 13.229 -8.047 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.624 12.874 -8.226 1.00 1.97 N ATOM 2547 NH2 ARG B 58 17.940 14.421 -8.463 1.00 3.01 N ATOM 0 H ARG B 58 17.297 6.220 -6.676 1.00 0.42 H new ATOM 0 HA ARG B 58 15.111 7.923 -6.384 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.491 8.522 -6.001 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.805 8.403 -7.721 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.188 10.249 -8.138 1.00 1.08 H new ATOM 0 HG3 ARG B 58 15.890 10.372 -6.416 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.172 11.053 -5.981 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.665 10.668 -7.618 1.00 1.12 H new ATOM 0 HE ARG B 58 16.559 12.742 -7.254 1.00 1.90 H new ATOM 0 HH11 ARG B 58 19.951 11.966 -7.897 1.00 1.97 H new ATOM 0 HH12 ARG B 58 20.271 13.510 -8.692 1.00 1.97 H new ATOM 0 HH21 ARG B 58 16.971 14.703 -8.316 1.00 3.01 H new ATOM 0 HH22 ARG B 58 18.591 15.054 -8.929 1.00 3.01 H new ATOM 2561 N ASP B 59 15.861 7.204 -9.504 1.00 0.42 N ATOM 2562 CA ASP B 59 15.375 7.259 -10.876 1.00 0.43 C ATOM 2563 C ASP B 59 13.965 6.685 -10.971 1.00 0.37 C ATOM 2564 O ASP B 59 13.073 7.297 -11.559 1.00 0.39 O ATOM 2565 CB ASP B 59 16.319 6.489 -11.802 1.00 0.49 C ATOM 2566 CG ASP B 59 16.047 6.740 -13.271 1.00 0.58 C ATOM 2567 OD1 ASP B 59 15.771 7.900 -13.643 1.00 0.76 O ATOM 2568 OD2 ASP B 59 16.135 5.783 -14.066 1.00 0.78 O ATOM 0 H ASP B 59 16.708 6.649 -9.381 1.00 0.42 H new ATOM 0 HA ASP B 59 15.345 8.303 -11.188 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.348 6.769 -11.576 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.227 5.422 -11.599 1.00 0.49 H new ATOM 2573 N SER B 60 13.767 5.521 -10.366 1.00 0.33 N ATOM 2574 CA SER B 60 12.467 4.861 -10.380 1.00 0.33 C ATOM 2575 C SER B 60 11.440 5.641 -9.558 1.00 0.28 C ATOM 2576 O SER B 60 10.261 5.694 -9.912 1.00 0.29 O ATOM 2577 CB SER B 60 12.599 3.434 -9.850 1.00 0.39 C ATOM 2578 OG SER B 60 13.574 2.711 -10.587 1.00 1.41 O ATOM 0 H SER B 60 14.491 5.013 -9.858 1.00 0.33 H new ATOM 0 HA SER B 60 12.114 4.828 -11.411 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.876 3.457 -8.796 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.637 2.926 -9.916 1.00 0.39 H new ATOM 0 HG SER B 60 14.470 2.958 -10.274 1.00 1.41 H new ATOM 2584 N PHE B 61 11.893 6.252 -8.469 1.00 0.30 N ATOM 2585 CA PHE B 61 11.010 7.036 -7.612 1.00 0.32 C ATOM 2586 C PHE B 61 10.424 8.204 -8.392 1.00 0.33 C ATOM 2587 O PHE B 61 9.215 8.419 -8.385 1.00 0.34 O ATOM 2588 CB PHE B 61 11.756 7.551 -6.377 1.00 0.39 C ATOM 2589 CG PHE B 61 12.021 6.490 -5.345 1.00 0.43 C ATOM 2590 CD1 PHE B 61 11.237 5.348 -5.285 1.00 0.62 C ATOM 2591 CD2 PHE B 61 13.056 6.635 -4.438 1.00 0.59 C ATOM 2592 CE1 PHE B 61 11.482 4.373 -4.340 1.00 0.70 C ATOM 2593 CE2 PHE B 61 13.307 5.663 -3.490 1.00 0.65 C ATOM 2594 CZ PHE B 61 12.519 4.530 -3.441 1.00 0.60 C ATOM 0 H PHE B 61 12.864 6.220 -8.159 1.00 0.30 H new ATOM 0 HA PHE B 61 10.201 6.388 -7.276 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.705 7.985 -6.691 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.175 8.352 -5.920 1.00 0.39 H new ATOM 0 HD1 PHE B 61 10.425 5.220 -5.986 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.675 7.519 -4.472 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.864 3.488 -4.303 1.00 0.70 H new ATOM 0 HE2 PHE B 61 14.118 5.789 -2.788 1.00 0.65 H new ATOM 0 HZ PHE B 61 12.713 3.768 -2.701 1.00 0.60 H new ATOM 2604 N GLN B 62 11.285 8.940 -9.086 1.00 0.35 N ATOM 2605 CA GLN B 62 10.844 10.079 -9.881 1.00 0.41 C ATOM 2606 C GLN B 62 9.952 9.615 -11.031 1.00 0.37 C ATOM 2607 O GLN B 62 9.050 10.336 -11.462 1.00 0.40 O ATOM 2608 CB GLN B 62 12.046 10.853 -10.425 1.00 0.52 C ATOM 2609 CG GLN B 62 12.893 11.509 -9.344 1.00 0.79 C ATOM 2610 CD GLN B 62 12.164 12.618 -8.606 1.00 1.44 C ATOM 2611 OE1 GLN B 62 12.411 12.856 -7.423 1.00 2.08 O ATOM 2612 NE2 GLN B 62 11.269 13.310 -9.296 1.00 2.12 N ATOM 0 H GLN B 62 12.290 8.768 -9.114 1.00 0.35 H new ATOM 0 HA GLN B 62 10.267 10.742 -9.237 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.673 10.174 -11.003 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.691 11.621 -11.112 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.208 10.750 -8.628 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.798 11.916 -9.796 1.00 0.79 H new ATOM 0 HE21 GLN B 62 11.092 13.083 -10.275 1.00 2.12 H new ATOM 0 HE22 GLN B 62 10.757 14.070 -8.849 1.00 2.12 H new ATOM 2621 N GLN B 63 10.202 8.403 -11.517 1.00 0.34 N ATOM 2622 CA GLN B 63 9.417 7.837 -12.607 1.00 0.36 C ATOM 2623 C GLN B 63 7.988 7.563 -12.151 1.00 0.29 C ATOM 2624 O GLN B 63 7.033 7.816 -12.887 1.00 0.32 O ATOM 2625 CB GLN B 63 10.060 6.550 -13.124 1.00 0.44 C ATOM 2626 CG GLN B 63 11.239 6.788 -14.053 1.00 0.66 C ATOM 2627 CD GLN B 63 11.918 5.501 -14.470 1.00 0.76 C ATOM 2628 OE1 GLN B 63 11.284 4.450 -14.563 1.00 1.33 O ATOM 2629 NE2 GLN B 63 13.209 5.576 -14.733 1.00 1.23 N ATOM 0 H GLN B 63 10.944 7.794 -11.172 1.00 0.34 H new ATOM 0 HA GLN B 63 9.392 8.563 -13.420 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.393 5.953 -12.274 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.307 5.963 -13.650 1.00 0.44 H new ATOM 0 HG2 GLN B 63 10.896 7.318 -14.941 1.00 0.66 H new ATOM 0 HG3 GLN B 63 11.964 7.433 -13.557 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.697 6.467 -14.643 1.00 1.23 H new ATOM 0 HE22 GLN B 63 13.719 4.743 -15.026 1.00 1.23 H new ATOM 2638 N VAL B 64 7.840 7.069 -10.925 1.00 0.26 N ATOM 2639 CA VAL B 64 6.520 6.776 -10.383 1.00 0.26 C ATOM 2640 C VAL B 64 5.750 8.074 -10.148 1.00 0.26 C ATOM 2641 O VAL B 64 4.516 8.091 -10.164 1.00 0.28 O ATOM 2642 CB VAL B 64 6.599 5.938 -9.081 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.578 6.810 -7.832 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.470 4.924 -9.042 1.00 0.30 C ATOM 0 H VAL B 64 8.614 6.865 -10.293 1.00 0.26 H new ATOM 0 HA VAL B 64 5.985 6.173 -11.117 1.00 0.26 H new ATOM 0 HB VAL B 64 7.554 5.412 -9.088 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.635 6.178 -6.946 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.430 7.490 -7.848 1.00 0.31 H new ATOM 0 HG13 VAL B 64 5.654 7.387 -7.807 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.536 4.341 -8.123 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.513 5.444 -9.074 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.550 4.257 -9.901 1.00 0.30 H new ATOM 2654 N VAL B 65 6.493 9.163 -9.950 1.00 0.29 N ATOM 2655 CA VAL B 65 5.900 10.477 -9.741 1.00 0.33 C ATOM 2656 C VAL B 65 5.243 10.950 -11.031 1.00 0.37 C ATOM 2657 O VAL B 65 4.215 11.618 -11.010 1.00 0.45 O ATOM 2658 CB VAL B 65 6.958 11.513 -9.289 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.341 12.893 -9.119 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.631 11.066 -8.002 1.00 0.39 C ATOM 0 H VAL B 65 7.513 9.157 -9.931 1.00 0.29 H new ATOM 0 HA VAL B 65 5.154 10.389 -8.951 1.00 0.33 H new ATOM 0 HB VAL B 65 7.715 11.579 -10.070 1.00 0.40 H new ATOM 0 HG11 VAL B 65 7.109 13.598 -8.801 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.917 13.221 -10.068 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.554 12.850 -8.366 1.00 0.48 H new ATOM 0 HG21 VAL B 65 8.371 11.808 -7.702 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.882 10.962 -7.217 1.00 0.39 H new ATOM 0 HG23 VAL B 65 8.123 10.107 -8.163 1.00 0.39 H new ATOM 2670 N LYS B 66 5.838 10.572 -12.155 1.00 0.37 N ATOM 2671 CA LYS B 66 5.320 10.947 -13.464 1.00 0.45 C ATOM 2672 C LYS B 66 4.170 10.029 -13.866 1.00 0.41 C ATOM 2673 O LYS B 66 3.359 10.369 -14.728 1.00 0.49 O ATOM 2674 CB LYS B 66 6.435 10.886 -14.506 1.00 0.57 C ATOM 2675 CG LYS B 66 7.616 11.783 -14.178 1.00 0.74 C ATOM 2676 CD LYS B 66 8.853 11.387 -14.964 1.00 0.67 C ATOM 2677 CE LYS B 66 8.673 11.639 -16.449 1.00 1.44 C ATOM 2678 NZ LYS B 66 9.880 11.258 -17.224 1.00 2.19 N ATOM 0 H LYS B 66 6.684 10.003 -12.186 1.00 0.37 H new ATOM 0 HA LYS B 66 4.943 11.968 -13.410 1.00 0.45 H new ATOM 0 HB2 LYS B 66 6.783 9.857 -14.595 1.00 0.57 H new ATOM 0 HB3 LYS B 66 6.031 11.171 -15.477 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.359 12.819 -14.400 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.830 11.729 -13.110 1.00 0.74 H new ATOM 0 HD2 LYS B 66 9.712 11.950 -14.600 1.00 0.67 H new ATOM 0 HD3 LYS B 66 9.069 10.332 -14.797 1.00 0.67 H new ATOM 0 HE2 LYS B 66 7.815 11.074 -16.812 1.00 1.44 H new ATOM 0 HE3 LYS B 66 8.453 12.694 -16.614 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 9.717 11.445 -18.234 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 10.694 11.816 -16.895 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.076 10.246 -17.087 1.00 2.19 H new ATOM 2692 N LEU B 67 4.118 8.854 -13.249 1.00 0.39 N ATOM 2693 CA LEU B 67 3.062 7.889 -13.526 1.00 0.43 C ATOM 2694 C LEU B 67 1.741 8.365 -12.931 1.00 0.62 C ATOM 2695 O LEU B 67 0.745 8.500 -13.642 1.00 1.30 O ATOM 2696 CB LEU B 67 3.428 6.513 -12.962 1.00 0.59 C ATOM 2697 CG LEU B 67 4.520 5.764 -13.730 1.00 0.54 C ATOM 2698 CD1 LEU B 67 4.920 4.495 -12.993 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.049 5.434 -15.138 1.00 0.79 C ATOM 0 H LEU B 67 4.797 8.547 -12.552 1.00 0.39 H new ATOM 0 HA LEU B 67 2.951 7.802 -14.607 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.752 6.636 -11.929 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.530 5.895 -12.943 1.00 0.59 H new ATOM 0 HG LEU B 67 5.395 6.411 -13.800 1.00 0.54 H new ATOM 0 HD11 LEU B 67 5.697 3.977 -13.555 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.298 4.753 -12.004 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.051 3.844 -12.891 1.00 0.74 H new ATOM 0 HD21 LEU B 67 4.837 4.902 -15.670 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.159 4.807 -15.086 1.00 0.79 H new ATOM 0 HD23 LEU B 67 3.813 6.357 -15.668 1.00 0.79 H new ATOM 2711 N LYS B 68 1.758 8.618 -11.623 1.00 0.48 N ATOM 2712 CA LYS B 68 0.583 9.092 -10.890 1.00 0.55 C ATOM 2713 C LYS B 68 -0.625 8.184 -11.096 1.00 0.47 C ATOM 2714 O LYS B 68 -1.538 8.507 -11.858 1.00 0.50 O ATOM 2715 CB LYS B 68 0.237 10.527 -11.292 1.00 0.69 C ATOM 2716 CG LYS B 68 1.200 11.561 -10.743 1.00 0.56 C ATOM 2717 CD LYS B 68 1.037 12.896 -11.440 1.00 0.67 C ATOM 2718 CE LYS B 68 2.124 13.869 -11.028 1.00 0.69 C ATOM 2719 NZ LYS B 68 2.015 15.164 -11.743 1.00 1.04 N ATOM 0 H LYS B 68 2.587 8.500 -11.041 1.00 0.48 H new ATOM 0 HA LYS B 68 0.837 9.070 -9.830 1.00 0.55 H new ATOM 0 HB2 LYS B 68 0.223 10.597 -12.380 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -0.770 10.760 -10.945 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.032 11.685 -9.673 1.00 0.56 H new ATOM 0 HG3 LYS B 68 2.224 11.208 -10.866 1.00 0.56 H new ATOM 0 HD2 LYS B 68 1.066 12.751 -12.520 1.00 0.67 H new ATOM 0 HD3 LYS B 68 0.060 13.316 -11.201 1.00 0.67 H new ATOM 0 HE2 LYS B 68 2.066 14.043 -9.954 1.00 0.69 H new ATOM 0 HE3 LYS B 68 3.100 13.427 -11.227 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 2.923 15.668 -11.689 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 1.774 14.991 -12.740 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 1.271 15.742 -11.302 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.623 7.048 -10.417 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.727 6.117 -10.536 1.00 0.59 C ATOM 2735 C GLY B 69 -1.271 4.729 -10.930 1.00 0.54 C ATOM 2736 O GLY B 69 -2.073 3.796 -10.983 1.00 0.57 O ATOM 0 H GLY B 69 0.122 6.753 -9.786 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -2.259 6.066 -9.586 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.434 6.489 -11.278 1.00 0.59 H new ATOM 2740 N GLN B 70 0.016 4.586 -11.206 1.00 0.50 N ATOM 2741 CA GLN B 70 0.567 3.296 -11.591 1.00 0.46 C ATOM 2742 C GLN B 70 1.662 2.885 -10.613 1.00 0.38 C ATOM 2743 O GLN B 70 2.268 3.734 -9.960 1.00 0.37 O ATOM 2744 CB GLN B 70 1.102 3.347 -13.024 1.00 0.50 C ATOM 2745 CG GLN B 70 1.125 1.991 -13.713 1.00 1.31 C ATOM 2746 CD GLN B 70 -0.070 1.132 -13.345 1.00 1.89 C ATOM 2747 OE1 GLN B 70 -0.021 0.357 -12.390 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -1.155 1.259 -14.093 1.00 2.32 N ATOM 0 H GLN B 70 0.697 5.345 -11.171 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.225 2.548 -11.556 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.488 4.032 -13.608 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.112 3.756 -13.012 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.145 2.136 -14.793 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.042 1.466 -13.445 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -1.160 1.911 -14.877 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.986 0.705 -13.885 1.00 2.32 H new ATOM 2757 N VAL B 71 1.905 1.586 -10.513 1.00 0.36 N ATOM 2758 CA VAL B 71 2.909 1.067 -9.600 1.00 0.32 C ATOM 2759 C VAL B 71 4.184 0.659 -10.338 1.00 0.31 C ATOM 2760 O VAL B 71 4.139 -0.039 -11.353 1.00 0.39 O ATOM 2761 CB VAL B 71 2.357 -0.139 -8.800 1.00 0.38 C ATOM 2762 CG1 VAL B 71 1.813 -1.212 -9.734 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.422 -0.720 -7.880 1.00 1.35 C ATOM 0 H VAL B 71 1.418 0.872 -11.055 1.00 0.36 H new ATOM 0 HA VAL B 71 3.158 1.870 -8.906 1.00 0.32 H new ATOM 0 HB VAL B 71 1.535 0.223 -8.182 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.432 -2.047 -9.146 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.006 -0.795 -10.337 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.611 -1.563 -10.388 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.007 -1.565 -7.331 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.272 -1.056 -8.474 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.751 0.044 -7.176 1.00 1.35 H new ATOM 2773 N LEU B 72 5.318 1.106 -9.823 1.00 0.27 N ATOM 2774 CA LEU B 72 6.608 0.781 -10.407 1.00 0.29 C ATOM 2775 C LEU B 72 7.415 -0.041 -9.413 1.00 0.31 C ATOM 2776 O LEU B 72 7.751 0.435 -8.328 1.00 0.44 O ATOM 2777 CB LEU B 72 7.370 2.051 -10.789 1.00 0.35 C ATOM 2778 CG LEU B 72 8.587 1.825 -11.686 1.00 0.44 C ATOM 2779 CD1 LEU B 72 8.167 1.198 -13.005 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.320 3.134 -11.927 1.00 1.05 C ATOM 0 H LEU B 72 5.370 1.700 -8.995 1.00 0.27 H new ATOM 0 HA LEU B 72 6.449 0.201 -11.316 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.684 2.730 -11.296 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.697 2.550 -9.877 1.00 0.35 H new ATOM 0 HG LEU B 72 9.266 1.139 -11.180 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.046 1.044 -13.631 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.685 0.239 -12.815 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.469 1.860 -13.517 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.184 2.955 -12.567 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.649 3.843 -12.412 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.654 3.545 -10.974 1.00 1.05 H new ATOM 2792 N SER B 73 7.715 -1.274 -9.783 1.00 0.27 N ATOM 2793 CA SER B 73 8.456 -2.173 -8.914 1.00 0.33 C ATOM 2794 C SER B 73 9.943 -2.209 -9.265 1.00 0.28 C ATOM 2795 O SER B 73 10.355 -2.876 -10.215 1.00 0.31 O ATOM 2796 CB SER B 73 7.855 -3.575 -9.002 1.00 0.48 C ATOM 2797 OG SER B 73 6.459 -3.546 -8.749 1.00 1.38 O ATOM 0 H SER B 73 7.456 -1.677 -10.683 1.00 0.27 H new ATOM 0 HA SER B 73 8.375 -1.801 -7.893 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.040 -3.993 -9.992 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.345 -4.231 -8.282 1.00 0.48 H new ATOM 0 HG SER B 73 6.096 -4.454 -8.812 1.00 1.38 H new ATOM 2803 N VAL B 74 10.741 -1.492 -8.490 1.00 0.29 N ATOM 2804 CA VAL B 74 12.181 -1.444 -8.706 1.00 0.28 C ATOM 2805 C VAL B 74 12.894 -2.403 -7.749 1.00 0.23 C ATOM 2806 O VAL B 74 12.762 -2.295 -6.532 1.00 0.24 O ATOM 2807 CB VAL B 74 12.729 -0.003 -8.539 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.170 0.658 -7.287 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.253 0.006 -8.518 1.00 0.41 C ATOM 0 H VAL B 74 10.415 -0.932 -7.702 1.00 0.29 H new ATOM 0 HA VAL B 74 12.378 -1.758 -9.731 1.00 0.28 H new ATOM 0 HB VAL B 74 12.398 0.576 -9.401 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.573 1.667 -7.198 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.083 0.706 -7.355 1.00 0.35 H new ATOM 0 HG13 VAL B 74 12.453 0.075 -6.410 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.609 1.029 -8.400 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.609 -0.601 -7.685 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.632 -0.404 -9.454 1.00 0.41 H new ATOM 2819 N MET B 75 13.631 -3.352 -8.307 1.00 0.21 N ATOM 2820 CA MET B 75 14.347 -4.337 -7.506 1.00 0.20 C ATOM 2821 C MET B 75 15.776 -3.880 -7.227 1.00 0.20 C ATOM 2822 O MET B 75 16.549 -3.626 -8.151 1.00 0.24 O ATOM 2823 CB MET B 75 14.353 -5.686 -8.229 1.00 0.26 C ATOM 2824 CG MET B 75 14.967 -6.817 -7.418 1.00 0.29 C ATOM 2825 SD MET B 75 14.886 -8.405 -8.269 1.00 0.41 S ATOM 2826 CE MET B 75 15.923 -8.078 -9.695 1.00 0.41 C ATOM 0 H MET B 75 13.750 -3.462 -9.314 1.00 0.21 H new ATOM 0 HA MET B 75 13.835 -4.444 -6.550 1.00 0.20 H new ATOM 0 HB2 MET B 75 13.328 -5.953 -8.488 1.00 0.26 H new ATOM 0 HB3 MET B 75 14.902 -5.583 -9.165 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.008 -6.579 -7.200 1.00 0.29 H new ATOM 0 HG3 MET B 75 14.450 -6.895 -6.461 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.220 -9.021 -10.153 1.00 0.41 H new ATOM 0 HE2 MET B 75 15.368 -7.482 -10.419 1.00 0.41 H new ATOM 0 HE3 MET B 75 16.812 -7.532 -9.381 1.00 0.41 H new ATOM 2836 N PHE B 76 16.118 -3.782 -5.951 1.00 0.21 N ATOM 2837 CA PHE B 76 17.448 -3.354 -5.537 1.00 0.23 C ATOM 2838 C PHE B 76 17.860 -4.085 -4.262 1.00 0.22 C ATOM 2839 O PHE B 76 17.140 -4.963 -3.783 1.00 0.21 O ATOM 2840 CB PHE B 76 17.469 -1.835 -5.307 1.00 0.26 C ATOM 2841 CG PHE B 76 16.873 -1.405 -3.993 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.537 -1.636 -3.708 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.655 -0.775 -3.042 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.995 -1.246 -2.499 1.00 0.37 C ATOM 2845 CE2 PHE B 76 17.119 -0.385 -1.832 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.788 -0.622 -1.560 1.00 0.38 C ATOM 0 H PHE B 76 15.488 -3.995 -5.178 1.00 0.21 H new ATOM 0 HA PHE B 76 18.158 -3.598 -6.328 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.500 -1.485 -5.358 1.00 0.26 H new ATOM 0 HB3 PHE B 76 16.926 -1.348 -6.117 1.00 0.26 H new ATOM 0 HD1 PHE B 76 14.912 -2.127 -4.440 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.698 -0.586 -3.249 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.952 -1.430 -2.290 1.00 0.37 H new ATOM 0 HE2 PHE B 76 17.741 0.106 -1.098 1.00 0.36 H new ATOM 0 HZ PHE B 76 15.367 -0.319 -0.612 1.00 0.38 H new ATOM 2856 N ARG B 77 19.019 -3.736 -3.722 1.00 0.25 N ATOM 2857 CA ARG B 77 19.496 -4.349 -2.492 1.00 0.25 C ATOM 2858 C ARG B 77 19.452 -3.344 -1.348 1.00 0.23 C ATOM 2859 O ARG B 77 20.105 -2.300 -1.395 1.00 0.26 O ATOM 2860 CB ARG B 77 20.909 -4.904 -2.671 1.00 0.30 C ATOM 2861 CG ARG B 77 20.925 -6.367 -3.080 1.00 0.48 C ATOM 2862 CD ARG B 77 22.338 -6.919 -3.138 1.00 0.63 C ATOM 2863 NE ARG B 77 22.974 -6.665 -4.429 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.077 -7.283 -4.855 1.00 1.87 C ATOM 2865 NH1 ARG B 77 24.709 -8.144 -4.064 1.00 1.59 N ATOM 2866 NH2 ARG B 77 24.554 -7.029 -6.069 1.00 2.97 N ATOM 0 H ARG B 77 19.645 -3.033 -4.116 1.00 0.25 H new ATOM 0 HA ARG B 77 18.837 -5.182 -2.246 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.431 -4.316 -3.425 1.00 0.30 H new ATOM 0 HB3 ARG B 77 21.460 -4.787 -1.738 1.00 0.30 H new ATOM 0 HG2 ARG B 77 20.336 -6.949 -2.372 1.00 0.48 H new ATOM 0 HG3 ARG B 77 20.451 -6.477 -4.055 1.00 0.48 H new ATOM 0 HD2 ARG B 77 22.935 -6.469 -2.345 1.00 0.63 H new ATOM 0 HD3 ARG B 77 22.316 -7.992 -2.950 1.00 0.63 H new ATOM 0 HE ARG B 77 22.548 -5.971 -5.043 1.00 1.50 H new ATOM 0 HH11 ARG B 77 24.351 -8.334 -3.128 1.00 1.59 H new ATOM 0 HH12 ARG B 77 25.552 -8.615 -4.393 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.077 -6.362 -6.675 1.00 2.97 H new ATOM 0 HH22 ARG B 77 25.397 -7.501 -6.395 1.00 2.97 H new ATOM 2880 N PHE B 78 18.672 -3.663 -0.327 1.00 0.24 N ATOM 2881 CA PHE B 78 18.513 -2.789 0.827 1.00 0.23 C ATOM 2882 C PHE B 78 19.365 -3.273 1.994 1.00 0.21 C ATOM 2883 O PHE B 78 19.581 -4.477 2.156 1.00 0.22 O ATOM 2884 CB PHE B 78 17.038 -2.745 1.230 1.00 0.27 C ATOM 2885 CG PHE B 78 16.691 -1.662 2.214 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.565 -0.345 1.803 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.481 -1.964 3.549 1.00 0.33 C ATOM 2888 CE1 PHE B 78 16.237 0.649 2.705 1.00 0.37 C ATOM 2889 CE2 PHE B 78 16.151 -0.976 4.455 1.00 0.37 C ATOM 2890 CZ PHE B 78 16.029 0.332 4.034 1.00 0.33 C ATOM 0 H PHE B 78 18.135 -4.528 -0.274 1.00 0.24 H new ATOM 0 HA PHE B 78 18.847 -1.786 0.560 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.434 -2.610 0.333 1.00 0.27 H new ATOM 0 HB3 PHE B 78 16.763 -3.709 1.658 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.725 -0.092 0.765 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.577 -2.986 3.886 1.00 0.33 H new ATOM 0 HE1 PHE B 78 16.143 1.672 2.372 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.988 -1.227 5.493 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.772 1.106 4.741 1.00 0.33 H new ATOM 2900 N ARG B 79 19.846 -2.332 2.798 1.00 0.25 N ATOM 2901 CA ARG B 79 20.670 -2.651 3.953 1.00 0.26 C ATOM 2902 C ARG B 79 19.796 -3.047 5.134 1.00 0.26 C ATOM 2903 O ARG B 79 18.998 -2.248 5.622 1.00 0.36 O ATOM 2904 CB ARG B 79 21.543 -1.452 4.336 1.00 0.36 C ATOM 2905 CG ARG B 79 22.878 -1.837 4.952 1.00 0.33 C ATOM 2906 CD ARG B 79 23.701 -0.610 5.313 1.00 0.56 C ATOM 2907 NE ARG B 79 23.422 -0.135 6.668 1.00 1.04 N ATOM 2908 CZ ARG B 79 23.273 1.148 6.999 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.361 2.095 6.071 1.00 1.06 N ATOM 2910 NH2 ARG B 79 23.039 1.482 8.264 1.00 2.22 N ATOM 0 H ARG B 79 19.676 -1.335 2.668 1.00 0.25 H new ATOM 0 HA ARG B 79 21.315 -3.489 3.691 1.00 0.26 H new ATOM 0 HB2 ARG B 79 21.724 -0.848 3.447 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.995 -0.826 5.041 1.00 0.36 H new ATOM 0 HG2 ARG B 79 22.708 -2.438 5.845 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.437 -2.458 4.252 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.761 -0.847 5.224 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.492 0.188 4.600 1.00 0.56 H new ATOM 0 HE ARG B 79 23.336 -0.831 7.409 1.00 1.04 H new ATOM 0 HH11 ARG B 79 23.543 1.842 5.100 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.246 3.075 6.330 1.00 1.06 H new ATOM 0 HH21 ARG B 79 22.974 0.758 8.979 1.00 2.22 H new ATOM 0 HH22 ARG B 79 22.925 2.463 8.520 1.00 2.22 H new ATOM 2924 N SER B 80 19.941 -4.281 5.579 1.00 0.25 N ATOM 2925 CA SER B 80 19.172 -4.782 6.706 1.00 0.33 C ATOM 2926 C SER B 80 19.838 -4.370 8.017 1.00 0.32 C ATOM 2927 O SER B 80 20.889 -3.725 8.004 1.00 0.32 O ATOM 2928 CB SER B 80 19.070 -6.301 6.613 1.00 0.46 C ATOM 2929 OG SER B 80 19.430 -6.745 5.316 1.00 1.06 O ATOM 0 H SER B 80 20.587 -4.959 5.176 1.00 0.25 H new ATOM 0 HA SER B 80 18.169 -4.356 6.681 1.00 0.33 H new ATOM 0 HB2 SER B 80 19.722 -6.761 7.355 1.00 0.46 H new ATOM 0 HB3 SER B 80 18.053 -6.618 6.843 1.00 0.46 H new ATOM 0 HG SER B 80 18.837 -6.334 4.653 1.00 1.06 H new ATOM 2935 N LYS B 81 19.243 -4.749 9.143 1.00 0.35 N ATOM 2936 CA LYS B 81 19.800 -4.409 10.450 1.00 0.37 C ATOM 2937 C LYS B 81 21.167 -5.066 10.627 1.00 0.40 C ATOM 2938 O LYS B 81 22.022 -4.571 11.363 1.00 0.48 O ATOM 2939 CB LYS B 81 18.846 -4.839 11.568 1.00 0.41 C ATOM 2940 CG LYS B 81 19.206 -4.266 12.931 1.00 0.45 C ATOM 2941 CD LYS B 81 19.273 -2.746 12.898 1.00 0.47 C ATOM 2942 CE LYS B 81 19.731 -2.179 14.233 1.00 0.67 C ATOM 2943 NZ LYS B 81 19.952 -0.710 14.170 1.00 1.69 N ATOM 0 H LYS B 81 18.379 -5.290 9.179 1.00 0.35 H new ATOM 0 HA LYS B 81 19.925 -3.328 10.506 1.00 0.37 H new ATOM 0 HB2 LYS B 81 17.833 -4.529 11.309 1.00 0.41 H new ATOM 0 HB3 LYS B 81 18.840 -5.927 11.631 1.00 0.41 H new ATOM 0 HG2 LYS B 81 18.467 -4.583 13.667 1.00 0.45 H new ATOM 0 HG3 LYS B 81 20.167 -4.667 13.253 1.00 0.45 H new ATOM 0 HD2 LYS B 81 19.958 -2.428 12.112 1.00 0.47 H new ATOM 0 HD3 LYS B 81 18.292 -2.343 12.648 1.00 0.47 H new ATOM 0 HE2 LYS B 81 18.985 -2.401 14.996 1.00 0.67 H new ATOM 0 HE3 LYS B 81 20.654 -2.671 14.538 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 20.147 -0.347 15.125 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.762 -0.507 13.550 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 19.101 -0.247 13.791 1.00 1.69 H new ATOM 2957 N ASN B 82 21.372 -6.181 9.931 1.00 0.39 N ATOM 2958 CA ASN B 82 22.643 -6.902 9.980 1.00 0.45 C ATOM 2959 C ASN B 82 23.685 -6.204 9.108 1.00 0.43 C ATOM 2960 O ASN B 82 24.803 -6.695 8.957 1.00 0.50 O ATOM 2961 CB ASN B 82 22.475 -8.346 9.491 1.00 0.53 C ATOM 2962 CG ASN B 82 21.454 -9.133 10.288 1.00 0.95 C ATOM 2963 OD1 ASN B 82 21.302 -8.941 11.494 1.00 1.75 O ATOM 2964 ND2 ASN B 82 20.746 -10.029 9.617 1.00 0.81 N ATOM 0 H ASN B 82 20.672 -6.607 9.324 1.00 0.39 H new ATOM 0 HA ASN B 82 22.976 -6.912 11.018 1.00 0.45 H new ATOM 0 HB2 ASN B 82 22.177 -8.335 8.442 1.00 0.53 H new ATOM 0 HB3 ASN B 82 23.438 -8.855 9.544 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.044 -10.590 10.100 1.00 0.81 H new ATOM 0 HD22 ASN B 82 20.902 -10.158 8.617 1.00 0.81 H new ATOM 2971 N GLN B 83 23.294 -5.066 8.526 1.00 0.37 N ATOM 2972 CA GLN B 83 24.164 -4.278 7.653 1.00 0.40 C ATOM 2973 C GLN B 83 24.470 -5.038 6.366 1.00 0.37 C ATOM 2974 O GLN B 83 25.434 -4.738 5.658 1.00 0.46 O ATOM 2975 CB GLN B 83 25.458 -3.882 8.374 1.00 0.53 C ATOM 2976 CG GLN B 83 25.461 -2.445 8.874 1.00 0.63 C ATOM 2977 CD GLN B 83 24.174 -2.059 9.578 1.00 0.90 C ATOM 2978 OE1 GLN B 83 23.238 -1.553 8.959 1.00 1.62 O ATOM 2979 NE2 GLN B 83 24.118 -2.291 10.876 1.00 0.87 N ATOM 0 H GLN B 83 22.364 -4.666 8.648 1.00 0.37 H new ATOM 0 HA GLN B 83 23.635 -3.362 7.390 1.00 0.40 H new ATOM 0 HB2 GLN B 83 25.613 -4.552 9.219 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.300 -4.024 7.696 1.00 0.53 H new ATOM 0 HG2 GLN B 83 26.298 -2.306 9.558 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.623 -1.773 8.031 1.00 0.63 H new ATOM 0 HE21 GLN B 83 24.915 -2.712 11.354 1.00 0.87 H new ATOM 0 HE22 GLN B 83 23.278 -2.049 11.402 1.00 0.87 H new ATOM 2988 N GLU B 84 23.630 -6.018 6.066 1.00 0.37 N ATOM 2989 CA GLU B 84 23.785 -6.823 4.867 1.00 0.38 C ATOM 2990 C GLU B 84 22.871 -6.301 3.765 1.00 0.31 C ATOM 2991 O GLU B 84 21.974 -5.497 4.024 1.00 0.42 O ATOM 2992 CB GLU B 84 23.479 -8.294 5.166 1.00 0.53 C ATOM 2993 CG GLU B 84 22.064 -8.541 5.652 1.00 1.22 C ATOM 2994 CD GLU B 84 21.763 -10.010 5.854 1.00 2.08 C ATOM 2995 OE1 GLU B 84 21.827 -10.780 4.871 1.00 2.45 O ATOM 2996 OE2 GLU B 84 21.457 -10.405 6.998 1.00 2.78 O ATOM 0 H GLU B 84 22.829 -6.275 6.643 1.00 0.37 H new ATOM 0 HA GLU B 84 24.818 -6.751 4.528 1.00 0.38 H new ATOM 0 HB2 GLU B 84 23.650 -8.881 4.264 1.00 0.53 H new ATOM 0 HB3 GLU B 84 24.180 -8.655 5.919 1.00 0.53 H new ATOM 0 HG2 GLU B 84 21.909 -8.010 6.591 1.00 1.22 H new ATOM 0 HG3 GLU B 84 21.359 -8.126 4.932 1.00 1.22 H new ATOM 3003 N TRP B 85 23.103 -6.750 2.544 1.00 0.32 N ATOM 3004 CA TRP B 85 22.304 -6.320 1.408 1.00 0.33 C ATOM 3005 C TRP B 85 21.437 -7.461 0.895 1.00 0.33 C ATOM 3006 O TRP B 85 21.952 -8.483 0.442 1.00 0.45 O ATOM 3007 CB TRP B 85 23.208 -5.816 0.278 1.00 0.41 C ATOM 3008 CG TRP B 85 24.191 -4.769 0.707 1.00 0.42 C ATOM 3009 CD1 TRP B 85 25.527 -4.940 0.935 1.00 0.66 C ATOM 3010 CD2 TRP B 85 23.916 -3.388 0.954 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.096 -3.748 1.308 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.129 -2.781 1.328 1.00 0.50 C ATOM 3013 CE3 TRP B 85 22.763 -2.605 0.893 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.220 -1.430 1.640 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 22.855 -1.264 1.204 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.076 -0.688 1.572 1.00 0.97 C ATOM 0 H TRP B 85 23.841 -7.415 2.312 1.00 0.32 H new ATOM 0 HA TRP B 85 21.658 -5.508 1.740 1.00 0.33 H new ATOM 0 HB2 TRP B 85 23.753 -6.661 -0.142 1.00 0.41 H new ATOM 0 HB3 TRP B 85 22.585 -5.410 -0.519 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.057 -5.876 0.836 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.081 -3.606 1.534 1.00 0.63 H new ATOM 0 HE3 TRP B 85 21.817 -3.040 0.608 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.161 -0.983 1.926 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 21.969 -0.648 1.163 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.114 0.365 1.807 1.00 0.97 H new ATOM 3027 N LEU B 86 20.126 -7.296 0.977 1.00 0.28 N ATOM 3028 CA LEU B 86 19.206 -8.316 0.492 1.00 0.29 C ATOM 3029 C LEU B 86 18.454 -7.802 -0.727 1.00 0.26 C ATOM 3030 O LEU B 86 18.264 -6.594 -0.886 1.00 0.28 O ATOM 3031 CB LEU B 86 18.222 -8.763 1.589 1.00 0.34 C ATOM 3032 CG LEU B 86 17.612 -7.655 2.459 1.00 0.42 C ATOM 3033 CD1 LEU B 86 16.492 -6.931 1.724 1.00 0.96 C ATOM 3034 CD2 LEU B 86 17.091 -8.244 3.762 1.00 1.03 C ATOM 0 H LEU B 86 19.676 -6.471 1.372 1.00 0.28 H new ATOM 0 HA LEU B 86 19.792 -9.190 0.207 1.00 0.29 H new ATOM 0 HB2 LEU B 86 17.408 -9.310 1.114 1.00 0.34 H new ATOM 0 HB3 LEU B 86 18.738 -9.465 2.244 1.00 0.34 H new ATOM 0 HG LEU B 86 18.393 -6.928 2.681 1.00 0.42 H new ATOM 0 HD11 LEU B 86 16.080 -6.152 2.366 1.00 0.96 H new ATOM 0 HD12 LEU B 86 16.886 -6.480 0.813 1.00 0.96 H new ATOM 0 HD13 LEU B 86 15.707 -7.642 1.466 1.00 0.96 H new ATOM 0 HD21 LEU B 86 16.660 -7.451 4.373 1.00 1.03 H new ATOM 0 HD22 LEU B 86 16.327 -8.990 3.544 1.00 1.03 H new ATOM 0 HD23 LEU B 86 17.912 -8.713 4.303 1.00 1.03 H new ATOM 3046 N TRP B 87 18.039 -8.713 -1.591 1.00 0.28 N ATOM 3047 CA TRP B 87 17.309 -8.339 -2.789 1.00 0.29 C ATOM 3048 C TRP B 87 15.854 -8.066 -2.453 1.00 0.29 C ATOM 3049 O TRP B 87 15.140 -8.946 -1.973 1.00 0.39 O ATOM 3050 CB TRP B 87 17.408 -9.436 -3.847 1.00 0.33 C ATOM 3051 CG TRP B 87 18.688 -9.391 -4.626 1.00 0.38 C ATOM 3052 CD1 TRP B 87 19.756 -10.230 -4.499 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.033 -8.450 -5.646 1.00 0.40 C ATOM 3054 NE1 TRP B 87 20.743 -9.870 -5.381 1.00 0.53 N ATOM 3055 CE2 TRP B 87 20.326 -8.780 -6.097 1.00 0.48 C ATOM 3056 CE3 TRP B 87 18.378 -7.361 -6.226 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 20.971 -8.059 -7.097 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.019 -6.647 -7.218 1.00 0.50 C ATOM 3059 CH2 TRP B 87 20.307 -6.999 -7.646 1.00 0.53 C ATOM 0 H TRP B 87 18.195 -9.715 -1.485 1.00 0.28 H new ATOM 0 HA TRP B 87 17.755 -7.430 -3.193 1.00 0.29 H new ATOM 0 HB2 TRP B 87 17.319 -10.408 -3.362 1.00 0.33 H new ATOM 0 HB3 TRP B 87 16.568 -9.345 -4.535 1.00 0.33 H new ATOM 0 HD1 TRP B 87 19.816 -11.056 -3.806 1.00 0.47 H new ATOM 0 HE1 TRP B 87 21.643 -10.339 -5.486 1.00 0.53 H new ATOM 0 HE3 TRP B 87 17.386 -7.082 -5.903 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 21.963 -8.328 -7.428 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 18.520 -5.803 -7.672 1.00 0.50 H new ATOM 0 HH2 TRP B 87 20.783 -6.421 -8.424 1.00 0.53 H new ATOM 3070 N MET B 88 15.421 -6.844 -2.700 1.00 0.31 N ATOM 3071 CA MET B 88 14.056 -6.448 -2.414 1.00 0.39 C ATOM 3072 C MET B 88 13.473 -5.671 -3.585 1.00 0.37 C ATOM 3073 O MET B 88 14.153 -4.846 -4.194 1.00 0.40 O ATOM 3074 CB MET B 88 14.019 -5.606 -1.138 1.00 0.52 C ATOM 3075 CG MET B 88 12.621 -5.372 -0.594 1.00 0.73 C ATOM 3076 SD MET B 88 12.610 -5.108 1.190 1.00 1.53 S ATOM 3077 CE MET B 88 13.682 -3.683 1.328 1.00 0.91 C ATOM 0 H MET B 88 15.999 -6.105 -3.100 1.00 0.31 H new ATOM 0 HA MET B 88 13.450 -7.342 -2.264 1.00 0.39 H new ATOM 0 HB2 MET B 88 14.618 -6.099 -0.372 1.00 0.52 H new ATOM 0 HB3 MET B 88 14.487 -4.642 -1.337 1.00 0.52 H new ATOM 0 HG2 MET B 88 12.182 -4.506 -1.089 1.00 0.73 H new ATOM 0 HG3 MET B 88 11.992 -6.229 -0.835 1.00 0.73 H new ATOM 0 HE1 MET B 88 13.622 -3.279 2.339 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.709 -3.979 1.116 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.369 -2.921 0.614 1.00 0.91 H new ATOM 3087 N ARG B 89 12.222 -5.948 -3.906 1.00 0.36 N ATOM 3088 CA ARG B 89 11.552 -5.273 -5.000 1.00 0.37 C ATOM 3089 C ARG B 89 10.599 -4.217 -4.455 1.00 0.36 C ATOM 3090 O ARG B 89 9.555 -4.537 -3.890 1.00 0.42 O ATOM 3091 CB ARG B 89 10.794 -6.281 -5.860 1.00 0.44 C ATOM 3092 CG ARG B 89 10.374 -5.728 -7.209 1.00 0.58 C ATOM 3093 CD ARG B 89 9.166 -6.465 -7.753 1.00 0.97 C ATOM 3094 NE ARG B 89 8.005 -6.317 -6.877 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.046 -7.229 -6.758 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.072 -8.331 -7.502 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.048 -7.032 -5.906 1.00 3.80 N ATOM 0 H ARG B 89 11.649 -6.639 -3.422 1.00 0.36 H new ATOM 0 HA ARG B 89 12.300 -4.782 -5.623 1.00 0.37 H new ATOM 0 HB2 ARG B 89 11.421 -7.159 -6.015 1.00 0.44 H new ATOM 0 HB3 ARG B 89 9.907 -6.614 -5.320 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.143 -4.667 -7.114 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.202 -5.812 -7.913 1.00 0.58 H new ATOM 0 HD2 ARG B 89 8.924 -6.085 -8.746 1.00 0.97 H new ATOM 0 HD3 ARG B 89 9.405 -7.523 -7.866 1.00 0.97 H new ATOM 0 HE ARG B 89 7.926 -5.463 -6.325 1.00 2.01 H new ATOM 0 HH11 ARG B 89 7.830 -8.479 -8.168 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.333 -9.028 -7.407 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.018 -6.182 -5.344 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.311 -7.731 -5.813 1.00 3.80 H new ATOM 3111 N THR B 90 10.975 -2.965 -4.624 1.00 0.33 N ATOM 3112 CA THR B 90 10.187 -1.844 -4.144 1.00 0.34 C ATOM 3113 C THR B 90 9.053 -1.489 -5.103 1.00 0.31 C ATOM 3114 O THR B 90 9.261 -0.765 -6.078 1.00 0.34 O ATOM 3115 CB THR B 90 11.079 -0.606 -3.953 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.456 -0.969 -4.131 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.886 0.001 -2.574 1.00 0.43 C ATOM 0 H THR B 90 11.836 -2.694 -5.098 1.00 0.33 H new ATOM 0 HA THR B 90 9.753 -2.147 -3.191 1.00 0.34 H new ATOM 0 HB THR B 90 10.794 0.137 -4.698 1.00 0.38 H new ATOM 0 HG1 THR B 90 12.989 -0.601 -3.396 1.00 0.43 H new ATOM 0 HG21 THR B 90 11.529 0.874 -2.468 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.845 0.300 -2.450 1.00 0.43 H new ATOM 0 HG23 THR B 90 11.145 -0.735 -1.813 1.00 0.43 H new ATOM 3125 N SER B 91 7.867 -2.011 -4.836 1.00 0.28 N ATOM 3126 CA SER B 91 6.703 -1.712 -5.652 1.00 0.27 C ATOM 3127 C SER B 91 6.120 -0.373 -5.208 1.00 0.23 C ATOM 3128 O SER B 91 5.245 -0.315 -4.345 1.00 0.28 O ATOM 3129 CB SER B 91 5.662 -2.831 -5.533 1.00 0.36 C ATOM 3130 OG SER B 91 6.173 -4.054 -6.044 1.00 0.97 O ATOM 0 H SER B 91 7.685 -2.645 -4.058 1.00 0.28 H new ATOM 0 HA SER B 91 6.996 -1.646 -6.700 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.377 -2.959 -4.489 1.00 0.36 H new ATOM 0 HB3 SER B 91 4.760 -2.553 -6.078 1.00 0.36 H new ATOM 0 HG SER B 91 6.324 -3.968 -7.009 1.00 0.97 H new ATOM 3136 N SER B 92 6.639 0.700 -5.782 1.00 0.23 N ATOM 3137 CA SER B 92 6.215 2.044 -5.434 1.00 0.28 C ATOM 3138 C SER B 92 4.938 2.449 -6.167 1.00 0.26 C ATOM 3139 O SER B 92 4.830 2.295 -7.382 1.00 0.36 O ATOM 3140 CB SER B 92 7.341 3.026 -5.755 1.00 0.36 C ATOM 3141 OG SER B 92 8.582 2.553 -5.250 1.00 1.27 O ATOM 0 H SER B 92 7.363 0.663 -6.499 1.00 0.23 H new ATOM 0 HA SER B 92 5.994 2.065 -4.367 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.412 3.165 -6.834 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.115 4.000 -5.322 1.00 0.36 H new ATOM 0 HG SER B 92 8.780 2.997 -4.399 1.00 1.27 H new ATOM 3147 N PHE B 93 3.976 2.951 -5.410 1.00 0.25 N ATOM 3148 CA PHE B 93 2.708 3.404 -5.959 1.00 0.27 C ATOM 3149 C PHE B 93 2.539 4.897 -5.685 1.00 0.25 C ATOM 3150 O PHE B 93 2.850 5.370 -4.590 1.00 0.25 O ATOM 3151 CB PHE B 93 1.554 2.619 -5.329 1.00 0.33 C ATOM 3152 CG PHE B 93 0.475 2.231 -6.299 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.150 3.185 -7.085 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.084 0.909 -6.420 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.144 2.825 -7.974 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -0.909 0.544 -7.307 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.524 1.503 -8.086 1.00 0.50 C ATOM 0 H PHE B 93 4.052 3.056 -4.398 1.00 0.25 H new ATOM 0 HA PHE B 93 2.699 3.234 -7.036 1.00 0.27 H new ATOM 0 HB2 PHE B 93 1.953 1.717 -4.866 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.113 3.218 -4.532 1.00 0.33 H new ATOM 0 HD1 PHE B 93 0.143 4.221 -7.002 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.561 0.154 -5.813 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -1.624 3.578 -8.581 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.204 -0.491 -7.391 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.300 1.220 -8.781 1.00 0.50 H new ATOM 3167 N THR B 94 2.069 5.640 -6.674 1.00 0.30 N ATOM 3168 CA THR B 94 1.872 7.073 -6.515 1.00 0.31 C ATOM 3169 C THR B 94 0.602 7.382 -5.725 1.00 0.33 C ATOM 3170 O THR B 94 -0.508 7.250 -6.240 1.00 0.37 O ATOM 3171 CB THR B 94 1.789 7.781 -7.878 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.288 6.920 -8.912 1.00 0.59 O ATOM 3173 CG2 THR B 94 2.589 9.076 -7.859 1.00 0.37 C ATOM 0 H THR B 94 1.817 5.277 -7.593 1.00 0.30 H new ATOM 0 HA THR B 94 2.736 7.444 -5.964 1.00 0.31 H new ATOM 0 HB THR B 94 0.744 8.017 -8.079 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.063 7.339 -9.341 1.00 0.59 H new ATOM 0 HG21 THR B 94 2.518 9.562 -8.832 1.00 0.37 H new ATOM 0 HG22 THR B 94 2.189 9.739 -7.092 1.00 0.37 H new ATOM 0 HG23 THR B 94 3.634 8.855 -7.639 1.00 0.37 H new ATOM 3181 N PHE B 95 0.766 7.786 -4.471 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.370 8.128 -3.631 1.00 0.41 C ATOM 3183 C PHE B 95 -0.702 9.603 -3.800 1.00 0.45 C ATOM 3184 O PHE B 95 -0.192 10.460 -3.074 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.074 7.817 -2.164 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.295 7.791 -1.287 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.014 6.619 -1.115 1.00 0.91 C ATOM 3188 CD2 PHE B 95 -1.719 8.933 -0.632 1.00 0.95 C ATOM 3189 CE1 PHE B 95 -3.131 6.589 -0.307 1.00 0.98 C ATOM 3190 CE2 PHE B 95 -2.836 8.908 0.177 1.00 1.03 C ATOM 3191 CZ PHE B 95 -3.543 7.735 0.341 1.00 0.78 C ATOM 0 H PHE B 95 1.674 7.884 -4.016 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.226 7.527 -3.937 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.426 6.851 -2.102 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.622 8.562 -1.778 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -1.696 5.719 -1.620 1.00 0.91 H new ATOM 0 HD2 PHE B 95 -1.169 9.855 -0.755 1.00 0.95 H new ATOM 0 HE1 PHE B 95 -3.683 5.669 -0.182 1.00 0.98 H new ATOM 0 HE2 PHE B 95 -3.157 9.807 0.682 1.00 1.03 H new ATOM 0 HZ PHE B 95 -4.417 7.714 0.975 1.00 0.78 H new ATOM 3201 N GLN B 96 -1.530 9.897 -4.785 1.00 0.51 N ATOM 3202 CA GLN B 96 -1.932 11.265 -5.056 1.00 0.56 C ATOM 3203 C GLN B 96 -3.445 11.395 -5.011 1.00 0.63 C ATOM 3204 O GLN B 96 -4.169 10.396 -5.013 1.00 0.71 O ATOM 3205 CB GLN B 96 -1.389 11.738 -6.412 1.00 0.60 C ATOM 3206 CG GLN B 96 -1.275 10.638 -7.462 1.00 0.74 C ATOM 3207 CD GLN B 96 -2.601 10.285 -8.110 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -2.841 9.131 -8.460 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -3.464 11.274 -8.291 1.00 0.91 N ATOM 0 H GLN B 96 -1.939 9.205 -5.413 1.00 0.51 H new ATOM 0 HA GLN B 96 -1.507 11.903 -4.281 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.039 12.524 -6.796 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -0.405 12.183 -6.261 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -0.574 10.954 -8.235 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.856 9.745 -6.998 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -3.228 12.219 -7.987 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -4.364 11.091 -8.734 1.00 0.91 H new ATOM 3218 N ASN B 97 -3.915 12.625 -4.958 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.340 12.897 -4.911 1.00 0.91 C ATOM 3220 C ASN B 97 -5.849 13.250 -6.300 1.00 0.97 C ATOM 3221 O ASN B 97 -5.224 14.031 -7.018 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.638 14.029 -3.928 1.00 1.06 C ATOM 3223 CG ASN B 97 -5.501 13.590 -2.484 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -6.480 13.214 -1.836 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -4.288 13.644 -1.963 1.00 1.65 N ATOM 0 H ASN B 97 -3.327 13.458 -4.946 1.00 0.73 H new ATOM 0 HA ASN B 97 -5.856 12.001 -4.566 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -4.959 14.860 -4.118 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.649 14.398 -4.099 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -4.137 13.369 -0.992 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -3.502 13.961 -2.531 1.00 1.65 H new ATOM 3232 N PRO B 98 -6.989 12.673 -6.698 1.00 1.12 N ATOM 3233 CA PRO B 98 -7.581 12.909 -8.014 1.00 1.28 C ATOM 3234 C PRO B 98 -8.377 14.211 -8.085 1.00 1.35 C ATOM 3235 O PRO B 98 -9.408 14.283 -8.754 1.00 1.41 O ATOM 3236 CB PRO B 98 -8.503 11.704 -8.184 1.00 1.50 C ATOM 3237 CG PRO B 98 -8.945 11.376 -6.800 1.00 1.51 C ATOM 3238 CD PRO B 98 -7.792 11.730 -5.895 1.00 1.26 C ATOM 0 HA PRO B 98 -6.825 13.012 -8.793 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -9.351 11.941 -8.826 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -7.980 10.865 -8.643 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -9.838 11.941 -6.532 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -9.198 10.319 -6.712 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.137 12.188 -4.968 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -7.215 10.848 -5.619 1.00 1.26 H new ATOM 3246 N TYR B 99 -7.900 15.239 -7.398 1.00 1.39 N ATOM 3247 CA TYR B 99 -8.577 16.525 -7.400 1.00 1.52 C ATOM 3248 C TYR B 99 -7.717 17.566 -8.100 1.00 1.54 C ATOM 3249 O TYR B 99 -8.038 18.011 -9.203 1.00 1.80 O ATOM 3250 CB TYR B 99 -8.895 16.985 -5.971 1.00 1.68 C ATOM 3251 CG TYR B 99 -9.395 15.882 -5.063 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -10.592 15.219 -5.321 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -8.662 15.501 -3.949 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -11.038 14.209 -4.489 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -9.101 14.492 -3.117 1.00 2.10 C ATOM 3256 CZ TYR B 99 -10.287 13.850 -3.389 1.00 2.50 C ATOM 3257 OH TYR B 99 -10.720 12.846 -2.555 1.00 2.90 O ATOM 0 H TYR B 99 -7.050 15.207 -6.835 1.00 1.39 H new ATOM 0 HA TYR B 99 -9.518 16.412 -7.939 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -7.997 17.422 -5.533 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.646 17.774 -6.013 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -11.180 15.498 -6.183 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -7.731 16.003 -3.729 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -11.969 13.704 -4.699 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -8.516 14.207 -2.255 1.00 2.10 H new ATOM 0 HH TYR B 99 -10.805 13.193 -1.642 1.00 2.90 H new ATOM 3267 N SER B 100 -6.612 17.922 -7.470 1.00 1.37 N ATOM 3268 CA SER B 100 -5.701 18.913 -8.017 1.00 1.42 C ATOM 3269 C SER B 100 -4.329 18.295 -8.266 1.00 1.24 C ATOM 3270 O SER B 100 -3.317 19.003 -8.308 1.00 1.29 O ATOM 3271 CB SER B 100 -5.582 20.095 -7.052 1.00 1.52 C ATOM 3272 OG SER B 100 -6.624 20.074 -6.083 1.00 2.27 O ATOM 0 H SER B 100 -6.322 17.536 -6.572 1.00 1.37 H new ATOM 0 HA SER B 100 -6.096 19.268 -8.969 1.00 1.42 H new ATOM 0 HB2 SER B 100 -4.615 20.063 -6.551 1.00 1.52 H new ATOM 0 HB3 SER B 100 -5.620 21.030 -7.611 1.00 1.52 H new ATOM 0 HG SER B 100 -6.349 19.526 -5.319 1.00 2.27 H new ATOM 3278 N ASP B 101 -4.308 16.966 -8.410 1.00 1.08 N ATOM 3279 CA ASP B 101 -3.073 16.219 -8.668 1.00 0.96 C ATOM 3280 C ASP B 101 -2.105 16.368 -7.494 1.00 0.87 C ATOM 3281 O ASP B 101 -0.889 16.436 -7.670 1.00 0.91 O ATOM 3282 CB ASP B 101 -2.428 16.708 -9.971 1.00 1.15 C ATOM 3283 CG ASP B 101 -1.403 15.747 -10.538 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -1.797 14.664 -11.014 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -0.200 16.091 -10.551 1.00 2.06 O ATOM 0 H ASP B 101 -5.141 16.381 -8.351 1.00 1.08 H new ATOM 0 HA ASP B 101 -3.314 15.162 -8.776 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -3.209 16.873 -10.713 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -1.950 17.671 -9.791 1.00 1.15 H new ATOM 3290 N GLU B 102 -2.665 16.405 -6.290 1.00 0.88 N ATOM 3291 CA GLU B 102 -1.882 16.563 -5.072 1.00 0.85 C ATOM 3292 C GLU B 102 -1.194 15.259 -4.683 1.00 0.72 C ATOM 3293 O GLU B 102 -1.847 14.311 -4.244 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.782 17.029 -3.921 1.00 1.03 C ATOM 3295 CG GLU B 102 -3.736 18.152 -4.296 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.124 17.655 -4.646 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.243 16.743 -5.488 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -6.107 18.195 -4.099 1.00 1.82 O ATOM 0 H GLU B 102 -3.670 16.327 -6.132 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.116 17.314 -5.265 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -3.362 16.179 -3.560 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.154 17.361 -3.094 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.806 18.855 -3.466 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.327 18.701 -5.145 1.00 1.30 H new ATOM 3305 N ILE B 103 0.119 15.213 -4.852 1.00 0.68 N ATOM 3306 CA ILE B 103 0.891 14.030 -4.501 1.00 0.59 C ATOM 3307 C ILE B 103 1.248 14.062 -3.022 1.00 0.61 C ATOM 3308 O ILE B 103 1.932 14.976 -2.561 1.00 0.74 O ATOM 3309 CB ILE B 103 2.189 13.926 -5.327 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.888 14.062 -6.820 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.894 12.606 -5.040 1.00 0.56 C ATOM 3312 CD1 ILE B 103 3.132 14.153 -7.678 1.00 0.99 C ATOM 0 H ILE B 103 0.673 15.982 -5.230 1.00 0.68 H new ATOM 0 HA ILE B 103 0.272 13.161 -4.722 1.00 0.59 H new ATOM 0 HB ILE B 103 2.851 14.742 -5.037 1.00 0.62 H new ATOM 0 HG12 ILE B 103 1.295 13.207 -7.143 1.00 0.67 H new ATOM 0 HG13 ILE B 103 1.279 14.951 -6.981 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.809 12.546 -5.630 1.00 0.56 H new ATOM 0 HG22 ILE B 103 3.141 12.549 -3.980 1.00 0.56 H new ATOM 0 HG23 ILE B 103 2.237 11.778 -5.304 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.845 14.248 -8.725 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.716 15.024 -7.381 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.732 13.252 -7.546 1.00 0.99 H new ATOM 3324 N GLU B 104 0.783 13.068 -2.284 1.00 0.54 N ATOM 3325 CA GLU B 104 1.050 13.001 -0.859 1.00 0.59 C ATOM 3326 C GLU B 104 2.368 12.284 -0.584 1.00 0.51 C ATOM 3327 O GLU B 104 3.332 12.895 -0.119 1.00 0.56 O ATOM 3328 CB GLU B 104 -0.103 12.302 -0.139 1.00 0.69 C ATOM 3329 CG GLU B 104 -1.470 12.836 -0.539 1.00 0.85 C ATOM 3330 CD GLU B 104 -2.455 12.840 0.608 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.070 13.227 1.731 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -3.622 12.461 0.398 1.00 1.33 O ATOM 0 H GLU B 104 0.220 12.299 -2.648 1.00 0.54 H new ATOM 0 HA GLU B 104 1.136 14.018 -0.477 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -0.061 11.234 -0.351 1.00 0.69 H new ATOM 0 HB3 GLU B 104 0.025 12.419 0.937 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -1.361 13.851 -0.922 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -1.868 12.229 -1.352 1.00 0.85 H new ATOM 3339 N TYR B 105 2.420 10.996 -0.888 1.00 0.42 N ATOM 3340 CA TYR B 105 3.629 10.218 -0.657 1.00 0.40 C ATOM 3341 C TYR B 105 3.720 9.056 -1.635 1.00 0.33 C ATOM 3342 O TYR B 105 2.807 8.822 -2.426 1.00 0.37 O ATOM 3343 CB TYR B 105 3.679 9.707 0.793 1.00 0.46 C ATOM 3344 CG TYR B 105 2.580 8.730 1.168 1.00 0.47 C ATOM 3345 CD1 TYR B 105 2.722 7.368 0.928 1.00 0.45 C ATOM 3346 CD2 TYR B 105 1.410 9.168 1.779 1.00 0.59 C ATOM 3347 CE1 TYR B 105 1.734 6.474 1.287 1.00 0.55 C ATOM 3348 CE2 TYR B 105 0.415 8.277 2.138 1.00 0.67 C ATOM 3349 CZ TYR B 105 0.584 6.932 1.889 1.00 0.65 C ATOM 3350 OH TYR B 105 -0.394 6.036 2.258 1.00 0.77 O ATOM 0 H TYR B 105 1.645 10.470 -1.292 1.00 0.42 H new ATOM 0 HA TYR B 105 4.486 10.871 -0.821 1.00 0.40 H new ATOM 0 HB2 TYR B 105 4.643 9.227 0.960 1.00 0.46 H new ATOM 0 HB3 TYR B 105 3.628 10.563 1.466 1.00 0.46 H new ATOM 0 HD1 TYR B 105 3.621 7.004 0.453 1.00 0.45 H new ATOM 0 HD2 TYR B 105 1.276 10.221 1.976 1.00 0.59 H new ATOM 0 HE1 TYR B 105 1.863 5.419 1.096 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -0.489 8.633 2.610 1.00 0.67 H new ATOM 0 HH TYR B 105 -0.108 5.127 2.030 1.00 0.77 H new ATOM 3360 N ILE B 106 4.832 8.347 -1.589 1.00 0.26 N ATOM 3361 CA ILE B 106 5.042 7.206 -2.454 1.00 0.25 C ATOM 3362 C ILE B 106 4.852 5.920 -1.663 1.00 0.26 C ATOM 3363 O ILE B 106 5.568 5.669 -0.691 1.00 0.28 O ATOM 3364 CB ILE B 106 6.453 7.210 -3.077 1.00 0.26 C ATOM 3365 CG1 ILE B 106 6.768 8.570 -3.712 1.00 0.31 C ATOM 3366 CG2 ILE B 106 6.572 6.099 -4.109 1.00 0.30 C ATOM 3367 CD1 ILE B 106 8.183 8.670 -4.243 1.00 0.36 C ATOM 0 H ILE B 106 5.607 8.545 -0.957 1.00 0.26 H new ATOM 0 HA ILE B 106 4.312 7.267 -3.261 1.00 0.25 H new ATOM 0 HB ILE B 106 7.180 7.033 -2.284 1.00 0.26 H new ATOM 0 HG12 ILE B 106 6.068 8.754 -4.527 1.00 0.31 H new ATOM 0 HG13 ILE B 106 6.609 9.354 -2.972 1.00 0.31 H new ATOM 0 HG21 ILE B 106 7.572 6.111 -4.543 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.396 5.136 -3.629 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.833 6.253 -4.896 1.00 0.30 H new ATOM 0 HD11 ILE B 106 8.339 9.657 -4.679 1.00 0.36 H new ATOM 0 HD12 ILE B 106 8.889 8.518 -3.427 1.00 0.36 H new ATOM 0 HD13 ILE B 106 8.340 7.908 -5.006 1.00 0.36 H new ATOM 3379 N ILE B 107 3.876 5.122 -2.065 1.00 0.29 N ATOM 3380 CA ILE B 107 3.597 3.860 -1.399 1.00 0.34 C ATOM 3381 C ILE B 107 4.581 2.801 -1.871 1.00 0.40 C ATOM 3382 O ILE B 107 4.278 2.013 -2.765 1.00 0.52 O ATOM 3383 CB ILE B 107 2.161 3.362 -1.674 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.207 4.534 -1.912 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.668 2.512 -0.514 1.00 0.53 C ATOM 3386 CD1 ILE B 107 -0.114 4.119 -2.526 1.00 0.79 C ATOM 0 H ILE B 107 3.261 5.327 -2.853 1.00 0.29 H new ATOM 0 HA ILE B 107 3.700 4.031 -0.327 1.00 0.34 H new ATOM 0 HB ILE B 107 2.182 2.753 -2.578 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.017 5.036 -0.964 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.691 5.260 -2.565 1.00 0.46 H new ATOM 0 HG21 ILE B 107 0.655 2.167 -0.720 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.325 1.652 -0.388 1.00 0.53 H new ATOM 0 HG23 ILE B 107 1.670 3.107 0.399 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.742 4.999 -2.667 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.066 3.643 -3.490 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.618 3.416 -1.863 1.00 0.79 H new ATOM 3398 N CYS B 108 5.770 2.810 -1.299 1.00 0.39 N ATOM 3399 CA CYS B 108 6.789 1.852 -1.675 1.00 0.47 C ATOM 3400 C CYS B 108 6.573 0.522 -0.977 1.00 0.37 C ATOM 3401 O CYS B 108 6.845 0.382 0.215 1.00 0.43 O ATOM 3402 CB CYS B 108 8.179 2.390 -1.352 1.00 0.61 C ATOM 3403 SG CYS B 108 8.731 3.702 -2.463 1.00 1.55 S ATOM 0 H CYS B 108 6.053 3.469 -0.574 1.00 0.39 H new ATOM 0 HA CYS B 108 6.713 1.693 -2.751 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.183 2.767 -0.329 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.894 1.569 -1.392 1.00 0.61 H new ATOM 0 HG CYS B 108 9.552 4.488 -1.832 1.00 1.55 H new ATOM 3409 N THR B 109 6.049 -0.434 -1.716 1.00 0.32 N ATOM 3410 CA THR B 109 5.819 -1.762 -1.189 1.00 0.29 C ATOM 3411 C THR B 109 7.115 -2.552 -1.255 1.00 0.26 C ATOM 3412 O THR B 109 7.506 -3.038 -2.317 1.00 0.27 O ATOM 3413 CB THR B 109 4.723 -2.497 -1.978 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.630 -1.607 -2.240 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.226 -3.706 -1.205 1.00 0.49 C ATOM 0 H THR B 109 5.773 -0.314 -2.691 1.00 0.32 H new ATOM 0 HA THR B 109 5.483 -1.672 -0.156 1.00 0.29 H new ATOM 0 HB THR B 109 5.147 -2.838 -2.923 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.882 -0.979 -2.949 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.451 -4.212 -1.780 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.055 -4.392 -1.030 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.815 -3.383 -0.249 1.00 0.49 H new ATOM 3423 N ASN B 110 7.792 -2.652 -0.128 1.00 0.35 N ATOM 3424 CA ASN B 110 9.062 -3.352 -0.066 1.00 0.40 C ATOM 3425 C ASN B 110 8.856 -4.855 0.044 1.00 0.45 C ATOM 3426 O ASN B 110 8.810 -5.408 1.142 1.00 0.57 O ATOM 3427 CB ASN B 110 9.897 -2.850 1.116 1.00 0.53 C ATOM 3428 CG ASN B 110 10.394 -1.426 0.935 1.00 1.18 C ATOM 3429 OD1 ASN B 110 9.730 -0.590 0.324 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.564 -1.132 1.478 1.00 1.84 N ATOM 0 H ASN B 110 7.484 -2.256 0.760 1.00 0.35 H new ATOM 0 HA ASN B 110 9.600 -3.146 -0.992 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.299 -2.906 2.025 1.00 0.53 H new ATOM 0 HB3 ASN B 110 10.752 -3.511 1.256 1.00 0.53 H new ATOM 0 HD21 ASN B 110 11.941 -0.188 1.397 1.00 1.84 H new ATOM 0 HD22 ASN B 110 12.089 -1.850 1.978 1.00 1.84 H new ATOM 3437 N THR B 111 8.704 -5.503 -1.098 1.00 0.39 N ATOM 3438 CA THR B 111 8.528 -6.941 -1.140 1.00 0.41 C ATOM 3439 C THR B 111 9.879 -7.614 -1.360 1.00 0.38 C ATOM 3440 O THR B 111 10.487 -7.465 -2.422 1.00 0.43 O ATOM 3441 CB THR B 111 7.558 -7.353 -2.265 1.00 0.45 C ATOM 3442 OG1 THR B 111 6.738 -6.237 -2.641 1.00 0.50 O ATOM 3443 CG2 THR B 111 6.673 -8.510 -1.821 1.00 0.52 C ATOM 0 H THR B 111 8.699 -5.051 -2.013 1.00 0.39 H new ATOM 0 HA THR B 111 8.103 -7.260 -0.189 1.00 0.41 H new ATOM 0 HB THR B 111 8.149 -7.675 -3.122 1.00 0.45 H new ATOM 0 HG1 THR B 111 6.126 -6.507 -3.357 1.00 0.50 H new ATOM 0 HG21 THR B 111 5.997 -8.783 -2.631 1.00 0.52 H new ATOM 0 HG22 THR B 111 7.296 -9.367 -1.564 1.00 0.52 H new ATOM 0 HG23 THR B 111 6.092 -8.210 -0.949 1.00 0.52 H new ATOM 3451 N ASN B 112 10.359 -8.326 -0.351 1.00 0.36 N ATOM 3452 CA ASN B 112 11.648 -9.008 -0.439 1.00 0.36 C ATOM 3453 C ASN B 112 11.619 -10.095 -1.507 1.00 0.34 C ATOM 3454 O ASN B 112 10.593 -10.736 -1.725 1.00 0.37 O ATOM 3455 CB ASN B 112 12.028 -9.604 0.922 1.00 0.45 C ATOM 3456 CG ASN B 112 13.161 -10.613 0.837 1.00 0.39 C ATOM 3457 OD1 ASN B 112 12.929 -11.826 0.806 1.00 0.71 O ATOM 3458 ND2 ASN B 112 14.390 -10.123 0.805 1.00 0.42 N ATOM 0 H ASN B 112 9.877 -8.448 0.540 1.00 0.36 H new ATOM 0 HA ASN B 112 12.403 -8.275 -0.724 1.00 0.36 H new ATOM 0 HB2 ASN B 112 12.317 -8.798 1.597 1.00 0.45 H new ATOM 0 HB3 ASN B 112 11.153 -10.086 1.358 1.00 0.45 H new ATOM 0 HD21 ASN B 112 15.190 -10.754 0.753 1.00 0.42 H new ATOM 0 HD22 ASN B 112 14.538 -9.114 0.833 1.00 0.42 H new ATOM 3465 N VAL B 113 12.743 -10.276 -2.186 1.00 0.36 N ATOM 3466 CA VAL B 113 12.857 -11.287 -3.225 1.00 0.44 C ATOM 3467 C VAL B 113 13.534 -12.533 -2.665 1.00 0.50 C ATOM 3468 O VAL B 113 13.043 -13.651 -2.828 1.00 0.78 O ATOM 3469 CB VAL B 113 13.668 -10.771 -4.436 1.00 0.52 C ATOM 3470 CG1 VAL B 113 13.576 -11.744 -5.601 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.198 -9.386 -4.855 1.00 0.83 C ATOM 0 H VAL B 113 13.592 -9.732 -2.034 1.00 0.36 H new ATOM 0 HA VAL B 113 11.849 -11.527 -3.563 1.00 0.44 H new ATOM 0 HB VAL B 113 14.713 -10.697 -4.134 1.00 0.52 H new ATOM 0 HG11 VAL B 113 14.154 -11.361 -6.442 1.00 0.98 H new ATOM 0 HG12 VAL B 113 13.974 -12.712 -5.298 1.00 0.98 H new ATOM 0 HG13 VAL B 113 12.534 -11.857 -5.899 1.00 0.98 H new ATOM 0 HG21 VAL B 113 13.784 -9.046 -5.709 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.145 -9.428 -5.132 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.328 -8.691 -4.025 1.00 0.83 H new ATOM 3481 N LYS B 114 14.659 -12.327 -1.988 1.00 0.66 N ATOM 3482 CA LYS B 114 15.417 -13.420 -1.398 1.00 0.80 C ATOM 3483 C LYS B 114 16.401 -12.884 -0.366 1.00 0.96 C ATOM 3484 O LYS B 114 17.157 -13.690 0.214 1.00 1.54 O ATOM 3485 CB LYS B 114 16.157 -14.223 -2.479 1.00 1.37 C ATOM 3486 CG LYS B 114 16.998 -13.379 -3.432 1.00 1.56 C ATOM 3487 CD LYS B 114 18.418 -13.172 -2.919 1.00 2.38 C ATOM 3488 CE LYS B 114 19.089 -14.489 -2.563 1.00 2.81 C ATOM 3489 NZ LYS B 114 19.296 -14.617 -1.098 1.00 3.21 N ATOM 3490 OXT LYS B 114 16.415 -11.657 -0.142 1.00 0.67 O ATOM 0 H LYS B 114 15.067 -11.405 -1.835 1.00 0.66 H new ATOM 0 HA LYS B 114 14.717 -14.090 -0.900 1.00 0.80 H new ATOM 0 HB2 LYS B 114 16.805 -14.952 -1.992 1.00 1.37 H new ATOM 0 HB3 LYS B 114 15.426 -14.784 -3.061 1.00 1.37 H new ATOM 0 HG2 LYS B 114 17.033 -13.863 -4.408 1.00 1.56 H new ATOM 0 HG3 LYS B 114 16.520 -12.410 -3.574 1.00 1.56 H new ATOM 0 HD2 LYS B 114 19.007 -12.658 -3.678 1.00 2.38 H new ATOM 0 HD3 LYS B 114 18.396 -12.526 -2.041 1.00 2.38 H new ATOM 0 HE2 LYS B 114 18.477 -15.318 -2.919 1.00 2.81 H new ATOM 0 HE3 LYS B 114 20.049 -14.559 -3.074 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 19.062 -15.585 -0.798 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 20.290 -14.415 -0.869 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 18.682 -13.942 -0.600 1.00 3.21 H new TER 3504 LYS B 114