USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 938 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: A 75 MET CE :methyl -179:sc= -3.98 (180deg=-3.06) USER MOD Set 1.2: A 110 ASN : amide:sc= -2.5 X(o=-6.5,f=-6.5!) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -2.8 K(o=-1.9,f=-19!) USER MOD Set 2.2: A 60 SER OG : rot -78:sc= 0.99 USER MOD Set 2.3: A 90 THR OG1 : rot 113:sc= -2.09! USER MOD Set 2.4: A 92 SER OG : rot 156:sc= 0.447 USER MOD Set 2.5: A 105 THR OG1 : rot 158:sc= 1.55 USER MOD Set 3.1: A 3 MET CE :methyl -172:sc= -5.26! (180deg=-2.74!) USER MOD Set 3.2: A 5 ASN : amide:sc= -5.58! C(o=-12!,f=-6.1!) USER MOD Set 3.3: A 36 GLN : amide:sc= -0.874 K(o=-12,f=-6.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.893 K(o=-0.89,f=-1.5!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -113:sc= 1.12 USER MOD Single : A 17 ASN : amide:sc= -10.4! C(o=-10!,f=-12!) USER MOD Single : A 23 THR OG1 : rot 170:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.78 K(o=-0.78,f=0.15) USER MOD Single : A 29 CYS SG : rot 73:sc= -3.11 USER MOD Single : A 32 THR OG1 : rot 66:sc= 0.916 USER MOD Single : A 35 TYR OH : rot 114:sc= 0.128 USER MOD Single : A 38 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.5!) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.196 (180deg=-0.939) USER MOD Single : A 44 ASN : amide:sc= -3.39! C(o=-3.4!,f=-6.5!) USER MOD Single : A 49 CYS SG : rot -56:sc= -2.42 USER MOD Single : A 50 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-6.9!) USER MOD Single : A 54 GLN : amide:sc= -2.65! C(o=-2.7!,f=-3.8!) USER MOD Single : A 55 GLN : amide:sc= 0.236 X(o=0.24,f=-0.057) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.093) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= -0.0344 (180deg=-0.276) USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= -0.519 (180deg=-1.88) USER MOD Single : A 70 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.45) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 54:sc= -3.97! USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= 0.136 (180deg=-0.179) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 83 GLN : amide:sc= -2.23! K(o=-2.2!,f=0.41) USER MOD Single : A 88 MET CE :methyl 142:sc= -8.37! (180deg=-11.7!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.051) USER MOD Single : A 94 THR OG1 : rot 15:sc= 0.61! USER MOD Single : A 96 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.025) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 39:sc= 1.23 USER MOD Single : A 109 THR OG1 : rot 131:sc= 0.246 USER MOD Single : A 111 THR OG1 : rot -6:sc= 0.711 USER MOD Single : A 112 ASN : amide:sc= -0.831 K(o=-0.83,f=-5.3!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.0128 K(o=-0.013,f=-0.89) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.275 -5.508 -4.123 1.00 0.00 N ATOM 2 CA GLY A 1 -19.152 -5.895 -5.262 1.00 0.00 C ATOM 3 C GLY A 1 -19.181 -7.393 -5.489 1.00 0.00 C ATOM 4 O GLY A 1 -18.677 -7.883 -6.500 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.290 -4.474 -4.009 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.620 -5.957 -3.251 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.302 -5.822 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.165 -5.540 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.804 -5.400 -6.169 1.00 0.00 H new ATOM 10 N ALA A 2 -19.771 -8.119 -4.544 1.00 0.00 N ATOM 11 CA ALA A 2 -19.867 -9.573 -4.637 1.00 0.00 C ATOM 12 C ALA A 2 -18.491 -10.207 -4.811 1.00 0.00 C ATOM 13 O ALA A 2 -18.168 -10.734 -5.876 1.00 0.00 O ATOM 14 CB ALA A 2 -20.786 -9.968 -5.785 1.00 0.00 C ATOM 0 H ALA A 2 -20.191 -7.723 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.290 -9.945 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.849 -11.055 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.780 -9.556 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.388 -9.577 -6.721 1.00 0.00 H new ATOM 20 N MET A 3 -17.681 -10.153 -3.757 1.00 0.00 N ATOM 21 CA MET A 3 -16.338 -10.723 -3.794 1.00 0.00 C ATOM 22 C MET A 3 -16.316 -12.087 -3.110 1.00 0.00 C ATOM 23 O MET A 3 -17.304 -12.504 -2.508 1.00 0.00 O ATOM 24 CB MET A 3 -15.344 -9.779 -3.114 1.00 0.00 C ATOM 25 CG MET A 3 -13.911 -9.962 -3.588 1.00 0.00 C ATOM 26 SD MET A 3 -13.712 -9.599 -5.344 1.00 0.00 S ATOM 27 CE MET A 3 -11.955 -9.884 -5.558 1.00 0.00 C ATOM 0 H MET A 3 -17.931 -9.721 -2.868 1.00 0.00 H new ATOM 0 HA MET A 3 -16.047 -10.852 -4.836 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.650 -8.749 -3.297 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.385 -9.937 -2.036 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.255 -9.312 -3.009 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.596 -10.987 -3.394 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.653 -9.564 -6.555 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.401 -9.315 -4.812 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.741 -10.946 -5.437 1.00 0.00 H new ATOM 37 N ASP A 4 -15.182 -12.777 -3.206 1.00 0.00 N ATOM 38 CA ASP A 4 -15.041 -14.097 -2.600 1.00 0.00 C ATOM 39 C ASP A 4 -13.789 -14.178 -1.729 1.00 0.00 C ATOM 40 O ASP A 4 -13.535 -15.200 -1.091 1.00 0.00 O ATOM 41 CB ASP A 4 -14.988 -15.174 -3.684 1.00 0.00 C ATOM 42 CG ASP A 4 -16.213 -15.155 -4.576 1.00 0.00 C ATOM 43 OD1 ASP A 4 -17.255 -15.709 -4.166 1.00 0.00 O ATOM 44 OD2 ASP A 4 -16.132 -14.585 -5.685 1.00 0.00 O ATOM 0 H ASP A 4 -14.351 -12.445 -3.696 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.910 -14.266 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.096 -15.029 -4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.898 -16.154 -3.215 1.00 0.00 H new ATOM 49 N ASN A 5 -13.010 -13.099 -1.705 1.00 0.00 N ATOM 50 CA ASN A 5 -11.787 -13.063 -0.910 1.00 0.00 C ATOM 51 C ASN A 5 -12.101 -12.930 0.580 1.00 0.00 C ATOM 52 O ASN A 5 -12.037 -13.912 1.322 1.00 0.00 O ATOM 53 CB ASN A 5 -10.889 -11.912 -1.366 1.00 0.00 C ATOM 54 CG ASN A 5 -10.309 -12.148 -2.747 1.00 0.00 C ATOM 55 OD1 ASN A 5 -10.054 -13.286 -3.141 1.00 0.00 O ATOM 56 ND2 ASN A 5 -10.103 -11.071 -3.493 1.00 0.00 N ATOM 0 H ASN A 5 -13.203 -12.243 -2.224 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.260 -14.005 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.463 -10.985 -1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.077 -11.782 -0.651 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.719 -11.168 -4.433 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.329 -10.146 -3.127 1.00 0.00 H new ATOM 63 N VAL A 6 -12.438 -11.718 1.015 1.00 0.00 N ATOM 64 CA VAL A 6 -12.757 -11.476 2.420 1.00 0.00 C ATOM 65 C VAL A 6 -13.958 -10.549 2.573 1.00 0.00 C ATOM 66 O VAL A 6 -14.537 -10.098 1.585 1.00 0.00 O ATOM 67 CB VAL A 6 -11.561 -10.868 3.175 1.00 0.00 C ATOM 68 CG1 VAL A 6 -10.431 -11.878 3.286 1.00 0.00 C ATOM 69 CG2 VAL A 6 -11.085 -9.597 2.488 1.00 0.00 C ATOM 0 H VAL A 6 -12.497 -10.893 0.419 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.998 -12.448 2.851 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.885 -10.608 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.594 -11.430 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.781 -12.757 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.106 -12.172 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.239 -9.182 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.778 -9.828 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.896 -8.869 2.467 1.00 0.00 H new ATOM 79 N CYS A 7 -14.324 -10.268 3.821 1.00 0.00 N ATOM 80 CA CYS A 7 -15.454 -9.392 4.108 1.00 0.00 C ATOM 81 C CYS A 7 -15.017 -7.931 4.109 1.00 0.00 C ATOM 82 O CYS A 7 -15.294 -7.192 3.164 1.00 0.00 O ATOM 83 CB CYS A 7 -16.083 -9.756 5.455 1.00 0.00 C ATOM 84 SG CYS A 7 -16.781 -11.423 5.516 1.00 0.00 S ATOM 0 H CYS A 7 -13.854 -10.635 4.649 1.00 0.00 H new ATOM 0 HA CYS A 7 -16.199 -9.529 3.324 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -15.327 -9.661 6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -16.869 -9.036 5.684 1.00 0.00 H new ATOM 0 HG CYS A 7 -17.287 -11.639 6.694 1.00 0.00 H new ATOM 90 N GLN A 8 -14.330 -7.520 5.173 1.00 0.00 N ATOM 91 CA GLN A 8 -13.854 -6.148 5.281 1.00 0.00 C ATOM 92 C GLN A 8 -12.341 -6.098 5.486 1.00 0.00 C ATOM 93 O GLN A 8 -11.730 -7.048 5.975 1.00 0.00 O ATOM 94 CB GLN A 8 -14.595 -5.394 6.390 1.00 0.00 C ATOM 95 CG GLN A 8 -13.698 -4.748 7.428 1.00 0.00 C ATOM 96 CD GLN A 8 -13.248 -5.717 8.507 1.00 0.00 C ATOM 97 OE1 GLN A 8 -12.198 -6.348 8.396 1.00 0.00 O ATOM 98 NE2 GLN A 8 -14.047 -5.839 9.562 1.00 0.00 N ATOM 0 H GLN A 8 -14.093 -8.115 5.967 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.070 -5.646 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.214 -4.622 5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.269 -6.087 6.893 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.821 -4.330 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.228 -3.916 7.892 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.909 -5.297 9.614 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.798 -6.475 10.320 1.00 0.00 H new ATOM 107 N PRO A 9 -11.732 -4.970 5.090 1.00 0.00 N ATOM 108 CA PRO A 9 -10.295 -4.739 5.193 1.00 0.00 C ATOM 109 C PRO A 9 -9.862 -4.100 6.508 1.00 0.00 C ATOM 110 O PRO A 9 -10.567 -4.158 7.516 1.00 0.00 O ATOM 111 CB PRO A 9 -10.069 -3.750 4.064 1.00 0.00 C ATOM 112 CG PRO A 9 -11.282 -2.894 4.117 1.00 0.00 C ATOM 113 CD PRO A 9 -12.417 -3.816 4.487 1.00 0.00 C ATOM 0 HA PRO A 9 -9.731 -5.671 5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.159 -3.169 4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.972 -4.252 3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.168 -2.099 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.465 -2.414 3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.106 -3.345 5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.001 -4.106 3.613 1.00 0.00 H new ATOM 121 N THR A 10 -8.685 -3.479 6.457 1.00 0.00 N ATOM 122 CA THR A 10 -8.073 -2.799 7.593 1.00 0.00 C ATOM 123 C THR A 10 -6.647 -2.416 7.220 1.00 0.00 C ATOM 124 O THR A 10 -6.195 -1.297 7.461 1.00 0.00 O ATOM 125 CB THR A 10 -8.050 -3.682 8.857 1.00 0.00 C ATOM 126 OG1 THR A 10 -7.270 -3.057 9.881 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.488 -5.058 8.548 1.00 0.00 C ATOM 0 H THR A 10 -8.121 -3.435 5.608 1.00 0.00 H new ATOM 0 HA THR A 10 -8.669 -1.916 7.822 1.00 0.00 H new ATOM 0 HB THR A 10 -9.075 -3.799 9.207 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.263 -3.625 10.680 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.483 -5.661 9.456 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.108 -5.543 7.794 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.470 -4.959 8.172 1.00 0.00 H new ATOM 135 N GLU A 11 -5.956 -3.381 6.629 1.00 0.00 N ATOM 136 CA GLU A 11 -4.587 -3.221 6.165 1.00 0.00 C ATOM 137 C GLU A 11 -4.216 -4.416 5.318 1.00 0.00 C ATOM 138 O GLU A 11 -4.510 -5.556 5.681 1.00 0.00 O ATOM 139 CB GLU A 11 -3.608 -3.084 7.324 1.00 0.00 C ATOM 140 CG GLU A 11 -3.638 -4.257 8.281 1.00 0.00 C ATOM 141 CD GLU A 11 -2.573 -4.161 9.357 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.772 -3.393 10.321 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.542 -4.855 9.235 1.00 0.00 O ATOM 0 H GLU A 11 -6.338 -4.311 6.456 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.527 -2.304 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.599 -2.975 6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.834 -2.170 7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.620 -4.312 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.500 -5.182 7.721 1.00 0.00 H new ATOM 150 N PHE A 12 -3.578 -4.167 4.194 1.00 0.00 N ATOM 151 CA PHE A 12 -3.182 -5.258 3.322 1.00 0.00 C ATOM 152 C PHE A 12 -1.686 -5.225 3.093 1.00 0.00 C ATOM 153 O PHE A 12 -1.117 -4.197 2.723 1.00 0.00 O ATOM 154 CB PHE A 12 -3.965 -5.242 2.000 1.00 0.00 C ATOM 155 CG PHE A 12 -3.547 -4.193 1.004 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.545 -4.454 0.084 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.184 -2.963 0.963 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.186 -3.509 -0.856 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.824 -2.011 0.029 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.823 -2.286 -0.883 1.00 0.00 C ATOM 0 H PHE A 12 -3.325 -3.236 3.864 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.429 -6.198 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.868 -6.221 1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.022 -5.100 2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.039 -5.408 0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.971 -2.746 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.406 -3.727 -1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.324 -1.054 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.540 -1.545 -1.616 1.00 0.00 H new ATOM 170 N ILE A 13 -1.053 -6.360 3.334 1.00 0.00 N ATOM 171 CA ILE A 13 0.380 -6.472 3.182 1.00 0.00 C ATOM 172 C ILE A 13 0.780 -6.543 1.724 1.00 0.00 C ATOM 173 O ILE A 13 0.610 -7.571 1.072 1.00 0.00 O ATOM 174 CB ILE A 13 0.929 -7.714 3.895 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.419 -7.776 5.335 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.446 -7.687 3.858 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.394 -9.179 5.901 1.00 0.00 C ATOM 0 H ILE A 13 -1.514 -7.218 3.637 1.00 0.00 H new ATOM 0 HA ILE A 13 0.805 -5.576 3.634 1.00 0.00 H new ATOM 0 HB ILE A 13 0.579 -8.609 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.051 -7.149 5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.587 -7.357 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.838 -8.569 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.785 -7.683 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.806 -6.790 4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.022 -9.152 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.260 -9.805 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.402 -9.593 5.892 1.00 0.00 H new ATOM 189 N SER A 14 1.308 -5.447 1.217 1.00 0.00 N ATOM 190 CA SER A 14 1.749 -5.390 -0.151 1.00 0.00 C ATOM 191 C SER A 14 3.256 -5.253 -0.208 1.00 0.00 C ATOM 192 O SER A 14 3.829 -4.338 0.377 1.00 0.00 O ATOM 193 CB SER A 14 1.088 -4.199 -0.831 1.00 0.00 C ATOM 194 OG SER A 14 0.707 -3.220 0.121 1.00 0.00 O ATOM 0 H SER A 14 1.440 -4.582 1.741 1.00 0.00 H new ATOM 0 HA SER A 14 1.468 -6.309 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.776 -3.760 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.211 -4.533 -1.386 1.00 0.00 H new ATOM 0 HG SER A 14 -0.270 -3.156 0.151 1.00 0.00 H new ATOM 200 N ARG A 15 3.888 -6.160 -0.930 1.00 0.00 N ATOM 201 CA ARG A 15 5.326 -6.132 -1.088 1.00 0.00 C ATOM 202 C ARG A 15 5.661 -5.526 -2.432 1.00 0.00 C ATOM 203 O ARG A 15 4.839 -5.552 -3.346 1.00 0.00 O ATOM 204 CB ARG A 15 5.914 -7.535 -0.965 1.00 0.00 C ATOM 205 CG ARG A 15 6.139 -7.971 0.472 1.00 0.00 C ATOM 206 CD ARG A 15 6.747 -9.360 0.550 1.00 0.00 C ATOM 207 NE ARG A 15 5.843 -10.385 0.037 1.00 0.00 N ATOM 208 CZ ARG A 15 5.574 -11.518 0.679 1.00 0.00 C ATOM 209 NH1 ARG A 15 6.127 -11.764 1.859 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.748 -12.405 0.142 1.00 0.00 N ATOM 0 H ARG A 15 3.424 -6.927 -1.417 1.00 0.00 H new ATOM 0 HA ARG A 15 5.764 -5.523 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.245 -8.245 -1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.863 -7.572 -1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.796 -7.258 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.190 -7.959 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.677 -9.380 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.001 -9.586 1.586 1.00 0.00 H new ATOM 0 HE ARG A 15 5.393 -10.223 -0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.761 -11.083 2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.918 -12.634 2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.318 -12.219 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.542 -13.274 0.635 1.00 0.00 H new ATOM 224 N HIS A 16 6.855 -4.973 -2.555 1.00 0.00 N ATOM 225 CA HIS A 16 7.255 -4.339 -3.798 1.00 0.00 C ATOM 226 C HIS A 16 8.739 -4.001 -3.795 1.00 0.00 C ATOM 227 O HIS A 16 9.431 -4.205 -2.802 1.00 0.00 O ATOM 228 CB HIS A 16 6.453 -3.053 -3.966 1.00 0.00 C ATOM 229 CG HIS A 16 6.642 -2.112 -2.821 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.872 -1.596 -2.484 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.767 -1.619 -1.912 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.752 -0.828 -1.423 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.484 -0.822 -1.056 1.00 0.00 N ATOM 0 H HIS A 16 7.558 -4.950 -1.817 1.00 0.00 H new ATOM 0 HA HIS A 16 7.064 -5.029 -4.620 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.751 -2.560 -4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.395 -3.297 -4.062 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.743 -1.781 -2.981 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.706 -1.816 -1.869 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.554 -0.294 -0.935 1.00 0.00 H new ATOM 242 N ASN A 17 9.219 -3.478 -4.916 1.00 0.00 N ATOM 243 CA ASN A 17 10.612 -3.066 -5.026 1.00 0.00 C ATOM 244 C ASN A 17 10.723 -1.615 -4.580 1.00 0.00 C ATOM 245 O ASN A 17 9.711 -0.994 -4.263 1.00 0.00 O ATOM 246 CB ASN A 17 11.139 -3.223 -6.458 1.00 0.00 C ATOM 247 CG ASN A 17 10.040 -3.347 -7.493 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.147 -4.185 -7.377 1.00 0.00 O ATOM 249 ND2 ASN A 17 10.110 -2.515 -8.520 1.00 0.00 N ATOM 0 H ASN A 17 8.666 -3.329 -5.760 1.00 0.00 H new ATOM 0 HA ASN A 17 11.221 -3.707 -4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.764 -2.364 -6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.776 -4.106 -6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.405 -2.553 -9.256 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.869 -1.836 -8.575 1.00 0.00 H new ATOM 256 N ILE A 18 11.928 -1.064 -4.548 1.00 0.00 N ATOM 257 CA ILE A 18 12.089 0.319 -4.122 1.00 0.00 C ATOM 258 C ILE A 18 11.156 1.236 -4.910 1.00 0.00 C ATOM 259 O ILE A 18 10.635 2.219 -4.383 1.00 0.00 O ATOM 260 CB ILE A 18 13.533 0.820 -4.279 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.661 2.230 -3.697 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.951 0.794 -5.740 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.316 2.315 -2.228 1.00 0.00 C ATOM 0 H ILE A 18 12.792 -1.541 -4.806 1.00 0.00 H new ATOM 0 HA ILE A 18 11.835 0.346 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 18 14.200 0.156 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.682 2.582 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.010 2.904 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.976 1.152 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.888 -0.226 -6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.289 1.437 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.430 3.344 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.285 1.995 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.984 1.668 -1.659 1.00 0.00 H new ATOM 275 N GLU A 19 10.951 0.894 -6.179 1.00 0.00 N ATOM 276 CA GLU A 19 10.072 1.663 -7.055 1.00 0.00 C ATOM 277 C GLU A 19 8.670 1.730 -6.484 1.00 0.00 C ATOM 278 O GLU A 19 7.970 2.733 -6.618 1.00 0.00 O ATOM 279 CB GLU A 19 9.966 0.990 -8.423 1.00 0.00 C ATOM 280 CG GLU A 19 11.241 0.988 -9.231 1.00 0.00 C ATOM 281 CD GLU A 19 12.037 -0.294 -9.089 1.00 0.00 C ATOM 282 OE1 GLU A 19 12.654 -0.496 -8.025 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.042 -1.098 -10.046 1.00 0.00 O ATOM 0 H GLU A 19 11.384 0.085 -6.625 1.00 0.00 H new ATOM 0 HA GLU A 19 10.497 2.663 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.642 -0.041 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.189 1.492 -8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.997 1.142 -10.282 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.861 1.829 -8.921 1.00 0.00 H new ATOM 290 N GLY A 20 8.281 0.648 -5.838 1.00 0.00 N ATOM 291 CA GLY A 20 6.956 0.547 -5.284 1.00 0.00 C ATOM 292 C GLY A 20 6.164 -0.507 -6.022 1.00 0.00 C ATOM 293 O GLY A 20 5.074 -0.894 -5.602 1.00 0.00 O ATOM 0 H GLY A 20 8.869 -0.172 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.014 0.294 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.449 1.510 -5.355 1.00 0.00 H new ATOM 297 N ILE A 21 6.730 -0.969 -7.141 1.00 0.00 N ATOM 298 CA ILE A 21 6.109 -1.996 -7.953 1.00 0.00 C ATOM 299 C ILE A 21 5.809 -3.217 -7.110 1.00 0.00 C ATOM 300 O ILE A 21 6.716 -3.889 -6.626 1.00 0.00 O ATOM 301 CB ILE A 21 7.016 -2.418 -9.105 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.596 -1.183 -9.811 1.00 0.00 C ATOM 303 CG2 ILE A 21 6.234 -3.312 -10.049 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.606 -0.399 -10.640 1.00 0.00 C ATOM 0 H ILE A 21 7.626 -0.638 -7.500 1.00 0.00 H new ATOM 0 HA ILE A 21 5.187 -1.578 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 21 7.865 -2.987 -8.726 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.023 -0.520 -9.059 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.415 -1.503 -10.456 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.876 -3.618 -10.875 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.889 -4.195 -9.511 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.375 -2.766 -10.439 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.109 0.453 -11.098 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.196 -1.041 -11.420 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.798 -0.043 -10.001 1.00 0.00 H new ATOM 316 N PHE A 22 4.538 -3.525 -6.990 1.00 0.00 N ATOM 317 CA PHE A 22 4.088 -4.627 -6.167 1.00 0.00 C ATOM 318 C PHE A 22 4.615 -5.983 -6.616 1.00 0.00 C ATOM 319 O PHE A 22 4.213 -6.513 -7.650 1.00 0.00 O ATOM 320 CB PHE A 22 2.573 -4.643 -6.157 1.00 0.00 C ATOM 321 CG PHE A 22 1.966 -3.551 -5.319 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.551 -3.154 -4.126 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.805 -2.927 -5.723 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.980 -2.154 -3.361 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.229 -1.934 -4.964 1.00 0.00 C ATOM 326 CZ PHE A 22 0.816 -1.547 -3.783 1.00 0.00 C ATOM 0 H PHE A 22 3.786 -3.020 -7.459 1.00 0.00 H new ATOM 0 HA PHE A 22 4.488 -4.464 -5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.210 -4.549 -7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.230 -5.608 -5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.461 -3.630 -3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.339 -3.223 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.445 -1.849 -2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.683 -1.460 -5.296 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.366 -0.768 -3.186 1.00 0.00 H new ATOM 336 N THR A 23 5.516 -6.537 -5.820 1.00 0.00 N ATOM 337 CA THR A 23 6.058 -7.855 -6.083 1.00 0.00 C ATOM 338 C THR A 23 5.163 -8.880 -5.399 1.00 0.00 C ATOM 339 O THR A 23 5.342 -10.091 -5.533 1.00 0.00 O ATOM 340 CB THR A 23 7.499 -7.983 -5.566 1.00 0.00 C ATOM 341 OG1 THR A 23 7.530 -7.821 -4.143 1.00 0.00 O ATOM 342 CG2 THR A 23 8.382 -6.936 -6.224 1.00 0.00 C ATOM 0 H THR A 23 5.887 -6.089 -4.982 1.00 0.00 H new ATOM 0 HA THR A 23 6.084 -8.025 -7.159 1.00 0.00 H new ATOM 0 HB THR A 23 7.875 -8.975 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.418 -8.062 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.402 -7.034 -5.852 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.375 -7.081 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.004 -5.941 -5.989 1.00 0.00 H new ATOM 350 N PHE A 24 4.193 -8.345 -4.657 1.00 0.00 N ATOM 351 CA PHE A 24 3.210 -9.130 -3.929 1.00 0.00 C ATOM 352 C PHE A 24 2.150 -8.202 -3.348 1.00 0.00 C ATOM 353 O PHE A 24 2.415 -7.034 -3.070 1.00 0.00 O ATOM 354 CB PHE A 24 3.861 -9.940 -2.802 1.00 0.00 C ATOM 355 CG PHE A 24 2.868 -10.484 -1.804 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.273 -11.720 -2.001 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.516 -9.748 -0.679 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.349 -12.213 -1.095 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.590 -10.235 0.225 1.00 0.00 C ATOM 360 CZ PHE A 24 1.008 -11.468 0.018 1.00 0.00 C ATOM 0 H PHE A 24 4.071 -7.338 -4.547 1.00 0.00 H new ATOM 0 HA PHE A 24 2.751 -9.832 -4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.420 -10.769 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.581 -9.309 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.533 -12.305 -2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.971 -8.784 -0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.895 -13.179 -1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.323 -9.650 1.093 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.287 -11.851 0.725 1.00 0.00 H new ATOM 370 N VAL A 25 0.946 -8.723 -3.193 1.00 0.00 N ATOM 371 CA VAL A 25 -0.163 -7.970 -2.628 1.00 0.00 C ATOM 372 C VAL A 25 -1.094 -8.915 -1.894 1.00 0.00 C ATOM 373 O VAL A 25 -1.545 -9.918 -2.442 1.00 0.00 O ATOM 374 CB VAL A 25 -0.971 -7.195 -3.699 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.783 -6.095 -3.055 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.073 -6.625 -4.782 1.00 0.00 C ATOM 0 H VAL A 25 0.708 -9.680 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 25 0.265 -7.236 -1.945 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.648 -7.905 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.344 -5.561 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.476 -6.529 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.115 -5.401 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.679 -6.089 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.646 -5.939 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.460 -7.437 -5.278 1.00 0.00 H new ATOM 386 N ASP A 26 -1.350 -8.599 -0.641 1.00 0.00 N ATOM 387 CA ASP A 26 -2.221 -9.408 0.187 1.00 0.00 C ATOM 388 C ASP A 26 -3.677 -9.228 -0.260 1.00 0.00 C ATOM 389 O ASP A 26 -4.123 -8.111 -0.507 1.00 0.00 O ATOM 390 CB ASP A 26 -1.995 -9.024 1.643 1.00 0.00 C ATOM 391 CG ASP A 26 -3.095 -9.502 2.568 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.250 -10.732 2.718 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.794 -8.648 3.149 1.00 0.00 O ATOM 0 H ASP A 26 -0.964 -7.781 -0.171 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.993 -10.469 0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.044 -9.438 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.914 -7.940 1.717 1.00 0.00 H new ATOM 398 N HIS A 27 -4.398 -10.346 -0.372 1.00 0.00 N ATOM 399 CA HIS A 27 -5.789 -10.357 -0.852 1.00 0.00 C ATOM 400 C HIS A 27 -6.712 -9.357 -0.148 1.00 0.00 C ATOM 401 O HIS A 27 -7.821 -9.118 -0.618 1.00 0.00 O ATOM 402 CB HIS A 27 -6.366 -11.771 -0.760 1.00 0.00 C ATOM 403 CG HIS A 27 -6.619 -12.243 0.638 1.00 0.00 C ATOM 404 ND1 HIS A 27 -7.616 -13.141 0.962 1.00 0.00 N ATOM 405 CD2 HIS A 27 -5.989 -11.953 1.799 1.00 0.00 C ATOM 406 CE1 HIS A 27 -7.586 -13.381 2.260 1.00 0.00 C ATOM 407 NE2 HIS A 27 -6.607 -12.673 2.791 1.00 0.00 N ATOM 0 H HIS A 27 -4.038 -11.270 -0.134 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.747 -10.032 -1.892 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.302 -11.806 -1.318 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.679 -12.464 -1.246 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.154 -11.279 1.923 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.249 -14.044 2.796 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.351 -12.662 3.778 1.00 0.00 H new ATOM 416 N ARG A 28 -6.283 -8.783 0.967 1.00 0.00 N ATOM 417 CA ARG A 28 -7.113 -7.800 1.660 1.00 0.00 C ATOM 418 C ARG A 28 -7.264 -6.552 0.800 1.00 0.00 C ATOM 419 O ARG A 28 -8.234 -5.805 0.920 1.00 0.00 O ATOM 420 CB ARG A 28 -6.507 -7.431 3.009 1.00 0.00 C ATOM 421 CG ARG A 28 -6.860 -8.409 4.112 1.00 0.00 C ATOM 422 CD ARG A 28 -8.203 -8.075 4.742 1.00 0.00 C ATOM 423 NE ARG A 28 -8.621 -9.093 5.703 1.00 0.00 N ATOM 424 CZ ARG A 28 -9.084 -8.816 6.918 1.00 0.00 C ATOM 425 NH1 ARG A 28 -9.180 -7.557 7.325 1.00 0.00 N ATOM 426 NH2 ARG A 28 -9.447 -9.801 7.728 1.00 0.00 N ATOM 0 H ARG A 28 -5.383 -8.974 1.407 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.095 -8.240 1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.423 -7.381 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.848 -6.435 3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.888 -9.421 3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.084 -8.393 4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.140 -7.108 5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.957 -7.981 3.961 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.554 -10.072 5.426 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.898 -6.798 6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.536 -7.348 8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.371 -10.770 7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.802 -9.590 8.660 1.00 0.00 H new ATOM 440 N CYS A 29 -6.278 -6.349 -0.066 1.00 0.00 N ATOM 441 CA CYS A 29 -6.224 -5.206 -0.959 1.00 0.00 C ATOM 442 C CYS A 29 -7.518 -4.975 -1.736 1.00 0.00 C ATOM 443 O CYS A 29 -7.798 -3.853 -2.136 1.00 0.00 O ATOM 444 CB CYS A 29 -5.078 -5.406 -1.938 1.00 0.00 C ATOM 445 SG CYS A 29 -5.274 -6.849 -3.001 1.00 0.00 S ATOM 0 H CYS A 29 -5.486 -6.983 -0.166 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.073 -4.322 -0.340 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.985 -4.517 -2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.147 -5.502 -1.379 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.196 -6.614 -3.886 1.00 0.00 H new ATOM 451 N VAL A 30 -8.300 -6.016 -1.985 1.00 0.00 N ATOM 452 CA VAL A 30 -9.539 -5.826 -2.731 1.00 0.00 C ATOM 453 C VAL A 30 -10.619 -5.210 -1.840 1.00 0.00 C ATOM 454 O VAL A 30 -11.468 -4.462 -2.306 1.00 0.00 O ATOM 455 CB VAL A 30 -10.043 -7.134 -3.381 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.020 -8.246 -3.224 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.379 -7.550 -2.805 1.00 0.00 C ATOM 0 H VAL A 30 -8.109 -6.974 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.318 -5.133 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.180 -6.945 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.398 -9.156 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.087 -7.953 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.840 -8.428 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.709 -8.473 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.278 -7.711 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.114 -6.766 -2.987 1.00 0.00 H new ATOM 467 N ALA A 31 -10.609 -5.553 -0.562 1.00 0.00 N ATOM 468 CA ALA A 31 -11.570 -4.982 0.369 1.00 0.00 C ATOM 469 C ALA A 31 -11.094 -3.605 0.800 1.00 0.00 C ATOM 470 O ALA A 31 -11.885 -2.729 1.148 1.00 0.00 O ATOM 471 CB ALA A 31 -11.743 -5.879 1.577 1.00 0.00 C ATOM 0 H ALA A 31 -9.954 -6.217 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.537 -4.894 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.466 -5.433 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.102 -6.857 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.786 -5.993 2.085 1.00 0.00 H new ATOM 477 N THR A 32 -9.779 -3.437 0.745 1.00 0.00 N ATOM 478 CA THR A 32 -9.119 -2.202 1.144 1.00 0.00 C ATOM 479 C THR A 32 -9.148 -1.138 0.053 1.00 0.00 C ATOM 480 O THR A 32 -9.674 -0.044 0.253 1.00 0.00 O ATOM 481 CB THR A 32 -7.652 -2.497 1.473 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.557 -3.642 2.328 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.994 -1.312 2.139 1.00 0.00 C ATOM 0 H THR A 32 -9.136 -4.159 0.420 1.00 0.00 H new ATOM 0 HA THR A 32 -9.661 -1.820 2.009 1.00 0.00 H new ATOM 0 HB THR A 32 -7.133 -2.699 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.865 -4.437 1.845 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.954 -1.551 2.361 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.035 -0.451 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.518 -1.078 3.066 1.00 0.00 H new ATOM 491 N VAL A 33 -8.581 -1.470 -1.100 1.00 0.00 N ATOM 492 CA VAL A 33 -8.517 -0.544 -2.217 1.00 0.00 C ATOM 493 C VAL A 33 -9.290 -1.060 -3.420 1.00 0.00 C ATOM 494 O VAL A 33 -9.152 -0.540 -4.523 1.00 0.00 O ATOM 495 CB VAL A 33 -7.059 -0.266 -2.614 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.339 0.411 -1.464 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.354 -1.551 -2.992 1.00 0.00 C ATOM 0 H VAL A 33 -8.157 -2.380 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.980 0.387 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.050 0.394 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.305 0.607 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.835 1.352 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.358 -0.239 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.323 -1.332 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.364 -2.235 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.867 -2.013 -3.836 1.00 0.00 H new ATOM 507 N GLY A 34 -10.079 -2.104 -3.207 1.00 0.00 N ATOM 508 CA GLY A 34 -10.887 -2.653 -4.292 1.00 0.00 C ATOM 509 C GLY A 34 -10.078 -3.459 -5.286 1.00 0.00 C ATOM 510 O GLY A 34 -10.585 -4.405 -5.889 1.00 0.00 O ATOM 0 H GLY A 34 -10.178 -2.582 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.668 -3.286 -3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.385 -1.837 -4.815 1.00 0.00 H new ATOM 514 N TYR A 35 -8.822 -3.082 -5.452 1.00 0.00 N ATOM 515 CA TYR A 35 -7.928 -3.752 -6.380 1.00 0.00 C ATOM 516 C TYR A 35 -7.486 -5.113 -5.874 1.00 0.00 C ATOM 517 O TYR A 35 -6.880 -5.221 -4.809 1.00 0.00 O ATOM 518 CB TYR A 35 -6.708 -2.882 -6.615 1.00 0.00 C ATOM 519 CG TYR A 35 -7.055 -1.592 -7.285 1.00 0.00 C ATOM 520 CD1 TYR A 35 -7.710 -1.589 -8.502 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.750 -0.382 -6.696 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.054 -0.417 -9.120 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.085 0.803 -7.305 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.740 0.786 -8.521 1.00 0.00 C ATOM 525 OH TYR A 35 -8.079 1.969 -9.138 1.00 0.00 O ATOM 0 H TYR A 35 -8.394 -2.305 -4.949 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.474 -3.909 -7.310 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.222 -2.675 -5.661 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.989 -3.426 -7.228 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.955 -2.529 -8.974 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.241 -0.366 -5.744 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.568 -0.434 -10.070 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.837 1.743 -6.835 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.749 2.439 -8.599 1.00 0.00 H new ATOM 535 N GLN A 36 -7.792 -6.150 -6.643 1.00 0.00 N ATOM 536 CA GLN A 36 -7.383 -7.494 -6.292 1.00 0.00 C ATOM 537 C GLN A 36 -5.860 -7.529 -6.213 1.00 0.00 C ATOM 538 O GLN A 36 -5.203 -6.662 -6.787 1.00 0.00 O ATOM 539 CB GLN A 36 -7.882 -8.481 -7.349 1.00 0.00 C ATOM 540 CG GLN A 36 -9.371 -8.372 -7.633 1.00 0.00 C ATOM 541 CD GLN A 36 -9.837 -9.372 -8.673 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.865 -9.075 -9.867 1.00 0.00 O ATOM 543 NE2 GLN A 36 -10.203 -10.566 -8.224 1.00 0.00 N ATOM 0 H GLN A 36 -8.322 -6.081 -7.512 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.809 -7.778 -5.330 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.332 -8.317 -8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.657 -9.496 -7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.927 -8.528 -6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.600 -7.363 -7.976 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.164 -10.769 -7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.523 -11.280 -8.878 1.00 0.00 H new ATOM 552 N PRO A 37 -5.263 -8.490 -5.496 1.00 0.00 N ATOM 553 CA PRO A 37 -3.815 -8.560 -5.394 1.00 0.00 C ATOM 554 C PRO A 37 -3.150 -8.474 -6.758 1.00 0.00 C ATOM 555 O PRO A 37 -2.128 -7.812 -6.910 1.00 0.00 O ATOM 556 CB PRO A 37 -3.536 -9.907 -4.752 1.00 0.00 C ATOM 557 CG PRO A 37 -4.820 -10.404 -4.194 1.00 0.00 C ATOM 558 CD PRO A 37 -5.934 -9.546 -4.729 1.00 0.00 C ATOM 0 HA PRO A 37 -3.416 -7.727 -4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.139 -10.608 -5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.787 -9.810 -3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.977 -11.446 -4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.801 -10.365 -3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.610 -10.124 -5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.533 -9.127 -3.920 1.00 0.00 H new ATOM 566 N GLN A 38 -3.730 -9.149 -7.746 1.00 0.00 N ATOM 567 CA GLN A 38 -3.195 -9.122 -9.101 1.00 0.00 C ATOM 568 C GLN A 38 -3.448 -7.759 -9.734 1.00 0.00 C ATOM 569 O GLN A 38 -2.705 -7.315 -10.611 1.00 0.00 O ATOM 570 CB GLN A 38 -3.818 -10.224 -9.947 1.00 0.00 C ATOM 571 CG GLN A 38 -5.314 -10.084 -10.079 1.00 0.00 C ATOM 572 CD GLN A 38 -5.866 -10.802 -11.297 1.00 0.00 C ATOM 573 OE1 GLN A 38 -5.184 -10.939 -12.312 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.108 -11.260 -11.200 1.00 0.00 N ATOM 0 H GLN A 38 -4.568 -9.719 -7.633 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.120 -9.295 -9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.368 -10.212 -10.940 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.586 -11.192 -9.503 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.792 -10.479 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.572 -9.027 -10.138 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.636 -11.123 -10.338 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.534 -11.749 -11.987 1.00 0.00 H new ATOM 583 N GLU A 39 -4.511 -7.104 -9.275 1.00 0.00 N ATOM 584 CA GLU A 39 -4.881 -5.782 -9.757 1.00 0.00 C ATOM 585 C GLU A 39 -3.866 -4.749 -9.282 1.00 0.00 C ATOM 586 O GLU A 39 -3.874 -3.599 -9.722 1.00 0.00 O ATOM 587 CB GLU A 39 -6.274 -5.421 -9.238 1.00 0.00 C ATOM 588 CG GLU A 39 -7.286 -5.121 -10.330 1.00 0.00 C ATOM 589 CD GLU A 39 -8.697 -5.514 -9.939 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.237 -4.919 -8.984 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.262 -6.419 -10.588 1.00 0.00 O ATOM 0 H GLU A 39 -5.137 -7.476 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.892 -5.788 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.647 -6.244 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.192 -4.552 -8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.260 -4.056 -10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.003 -5.652 -11.239 1.00 0.00 H new ATOM 598 N LEU A 40 -2.995 -5.180 -8.375 1.00 0.00 N ATOM 599 CA LEU A 40 -1.966 -4.321 -7.812 1.00 0.00 C ATOM 600 C LEU A 40 -0.583 -4.810 -8.219 1.00 0.00 C ATOM 601 O LEU A 40 0.311 -4.022 -8.510 1.00 0.00 O ATOM 602 CB LEU A 40 -2.080 -4.330 -6.288 1.00 0.00 C ATOM 603 CG LEU A 40 -2.842 -3.175 -5.630 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.301 -2.130 -6.638 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.022 -3.737 -4.862 1.00 0.00 C ATOM 0 H LEU A 40 -2.985 -6.133 -8.012 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.105 -3.308 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.561 -5.262 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.071 -4.346 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.163 -2.664 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.835 -1.334 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.434 -1.712 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.963 -2.595 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.571 -2.922 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.682 -4.269 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.663 -4.424 -4.096 1.00 0.00 H new ATOM 617 N LEU A 41 -0.431 -6.125 -8.237 1.00 0.00 N ATOM 618 CA LEU A 41 0.828 -6.765 -8.586 1.00 0.00 C ATOM 619 C LEU A 41 1.386 -6.238 -9.901 1.00 0.00 C ATOM 620 O LEU A 41 0.688 -6.186 -10.914 1.00 0.00 O ATOM 621 CB LEU A 41 0.625 -8.280 -8.660 1.00 0.00 C ATOM 622 CG LEU A 41 0.759 -9.015 -7.324 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.199 -10.198 -7.250 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.195 -9.471 -7.115 1.00 0.00 C ATOM 0 H LEU A 41 -1.179 -6.780 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 41 1.557 -6.530 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.365 -8.479 -9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.350 -8.695 -9.361 1.00 0.00 H new ATOM 0 HG LEU A 41 0.494 -8.322 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.082 -10.701 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.224 -9.843 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.023 -10.897 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.276 -9.992 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.484 -10.144 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.855 -8.604 -7.112 1.00 0.00 H new ATOM 636 N GLY A 42 2.654 -5.848 -9.866 1.00 0.00 N ATOM 637 CA GLY A 42 3.313 -5.327 -11.046 1.00 0.00 C ATOM 638 C GLY A 42 3.078 -3.845 -11.230 1.00 0.00 C ATOM 639 O GLY A 42 3.655 -3.221 -12.120 1.00 0.00 O ATOM 0 H GLY A 42 3.241 -5.884 -9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.384 -5.516 -10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.953 -5.861 -11.925 1.00 0.00 H new ATOM 643 N LYS A 43 2.226 -3.280 -10.382 1.00 0.00 N ATOM 644 CA LYS A 43 1.909 -1.863 -10.449 1.00 0.00 C ATOM 645 C LYS A 43 2.653 -1.087 -9.383 1.00 0.00 C ATOM 646 O LYS A 43 2.821 -1.553 -8.257 1.00 0.00 O ATOM 647 CB LYS A 43 0.416 -1.634 -10.258 1.00 0.00 C ATOM 648 CG LYS A 43 -0.447 -2.522 -11.118 1.00 0.00 C ATOM 649 CD LYS A 43 -1.762 -1.855 -11.469 1.00 0.00 C ATOM 650 CE LYS A 43 -2.316 -2.364 -12.790 1.00 0.00 C ATOM 651 NZ LYS A 43 -1.387 -2.100 -13.923 1.00 0.00 N ATOM 0 H LYS A 43 1.743 -3.785 -9.639 1.00 0.00 H new ATOM 0 HA LYS A 43 2.214 -1.512 -11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.163 -1.800 -9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.186 -0.592 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.089 -2.774 -12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.642 -3.458 -10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.486 -2.039 -10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.619 -0.776 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.503 -3.435 -12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.275 -1.886 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.932 -2.006 -14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.863 -1.220 -13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.716 -2.890 -14.013 1.00 0.00 H new ATOM 665 N ASN A 44 3.091 0.102 -9.748 1.00 0.00 N ATOM 666 CA ASN A 44 3.789 0.963 -8.814 1.00 0.00 C ATOM 667 C ASN A 44 2.806 1.447 -7.758 1.00 0.00 C ATOM 668 O ASN A 44 1.830 2.123 -8.066 1.00 0.00 O ATOM 669 CB ASN A 44 4.412 2.152 -9.549 1.00 0.00 C ATOM 670 CG ASN A 44 5.472 2.860 -8.737 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.168 3.695 -7.889 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.726 2.542 -9.014 1.00 0.00 N ATOM 0 H ASN A 44 2.976 0.493 -10.683 1.00 0.00 H new ATOM 0 HA ASN A 44 4.592 0.404 -8.334 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.851 1.804 -10.484 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.627 2.862 -9.810 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.490 2.997 -8.514 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.929 1.842 -9.727 1.00 0.00 H new ATOM 679 N ILE A 45 3.055 1.059 -6.518 1.00 0.00 N ATOM 680 CA ILE A 45 2.205 1.436 -5.404 1.00 0.00 C ATOM 681 C ILE A 45 1.894 2.931 -5.420 1.00 0.00 C ATOM 682 O ILE A 45 0.745 3.338 -5.246 1.00 0.00 O ATOM 683 CB ILE A 45 2.893 1.074 -4.081 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.992 1.385 -2.893 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.197 1.824 -3.972 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.567 0.939 -1.564 1.00 0.00 C ATOM 0 H ILE A 45 3.850 0.476 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 45 1.266 0.890 -5.499 1.00 0.00 H new ATOM 0 HB ILE A 45 3.093 0.003 -4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.808 2.459 -2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.027 0.901 -3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.687 1.568 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.845 1.551 -4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.003 2.896 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.872 1.193 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.725 -0.139 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.518 1.443 -1.392 1.00 0.00 H new ATOM 698 N VAL A 46 2.925 3.741 -5.631 1.00 0.00 N ATOM 699 CA VAL A 46 2.762 5.188 -5.659 1.00 0.00 C ATOM 700 C VAL A 46 1.917 5.639 -6.849 1.00 0.00 C ATOM 701 O VAL A 46 1.279 6.689 -6.790 1.00 0.00 O ATOM 702 CB VAL A 46 4.109 5.946 -5.622 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.233 5.026 -5.187 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.419 6.616 -6.954 1.00 0.00 C ATOM 0 H VAL A 46 3.881 3.420 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 46 2.228 5.446 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 46 4.020 6.741 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.171 5.581 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.021 4.638 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.316 4.196 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.374 7.138 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.474 5.860 -7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.632 7.331 -7.194 1.00 0.00 H new ATOM 714 N GLU A 47 1.935 4.875 -7.946 1.00 0.00 N ATOM 715 CA GLU A 47 1.131 5.233 -9.112 1.00 0.00 C ATOM 716 C GLU A 47 -0.311 5.461 -8.688 1.00 0.00 C ATOM 717 O GLU A 47 -1.015 6.298 -9.254 1.00 0.00 O ATOM 718 CB GLU A 47 1.198 4.152 -10.191 1.00 0.00 C ATOM 719 CG GLU A 47 2.263 4.410 -11.244 1.00 0.00 C ATOM 720 CD GLU A 47 2.222 3.399 -12.374 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.903 2.358 -12.264 1.00 0.00 O ATOM 722 OE2 GLU A 47 1.509 3.649 -13.368 1.00 0.00 O ATOM 0 H GLU A 47 2.486 4.023 -8.048 1.00 0.00 H new ATOM 0 HA GLU A 47 1.537 6.151 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.392 3.189 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.226 4.077 -10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.130 5.412 -11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.246 4.385 -10.775 1.00 0.00 H new ATOM 729 N PHE A 48 -0.741 4.708 -7.682 1.00 0.00 N ATOM 730 CA PHE A 48 -2.087 4.850 -7.141 1.00 0.00 C ATOM 731 C PHE A 48 -2.085 5.982 -6.136 1.00 0.00 C ATOM 732 O PHE A 48 -3.051 6.732 -6.014 1.00 0.00 O ATOM 733 CB PHE A 48 -2.539 3.567 -6.450 1.00 0.00 C ATOM 734 CG PHE A 48 -2.613 2.385 -7.361 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.482 1.634 -7.634 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.817 2.019 -7.936 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.559 0.532 -8.471 1.00 0.00 C ATOM 738 CE2 PHE A 48 -3.895 0.927 -8.771 1.00 0.00 C ATOM 739 CZ PHE A 48 -2.765 0.185 -9.035 1.00 0.00 C ATOM 0 H PHE A 48 -0.176 3.992 -7.224 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.776 5.059 -7.959 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.851 3.343 -5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.520 3.732 -6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.535 1.908 -7.193 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.706 2.596 -7.728 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.675 -0.052 -8.680 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.839 0.653 -9.218 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.826 -0.673 -9.688 1.00 0.00 H new ATOM 749 N CYS A 49 -0.975 6.081 -5.416 1.00 0.00 N ATOM 750 CA CYS A 49 -0.792 7.120 -4.408 1.00 0.00 C ATOM 751 C CYS A 49 -0.979 8.505 -5.014 1.00 0.00 C ATOM 752 O CYS A 49 -0.685 8.720 -6.188 1.00 0.00 O ATOM 753 CB CYS A 49 0.610 7.028 -3.804 1.00 0.00 C ATOM 754 SG CYS A 49 1.057 8.433 -2.758 1.00 0.00 S ATOM 0 H CYS A 49 -0.181 5.449 -5.512 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.541 6.967 -3.631 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.681 6.113 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.337 6.944 -4.612 1.00 0.00 H new ATOM 0 HG CYS A 49 0.925 9.536 -3.433 1.00 0.00 H new ATOM 760 N HIS A 50 -1.474 9.440 -4.209 1.00 0.00 N ATOM 761 CA HIS A 50 -1.662 10.806 -4.672 1.00 0.00 C ATOM 762 C HIS A 50 -0.303 11.386 -5.051 1.00 0.00 C ATOM 763 O HIS A 50 0.659 11.222 -4.307 1.00 0.00 O ATOM 764 CB HIS A 50 -2.330 11.651 -3.583 1.00 0.00 C ATOM 765 CG HIS A 50 -2.785 13.001 -4.041 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.942 13.927 -4.619 1.00 0.00 N ATOM 767 CD2 HIS A 50 -4.008 13.586 -3.996 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.624 15.021 -4.910 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.879 14.839 -4.542 1.00 0.00 N ATOM 0 H HIS A 50 -1.750 9.277 -3.241 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.315 10.814 -5.545 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.188 11.105 -3.192 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.630 11.778 -2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.914 13.148 -3.604 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.223 15.912 -5.370 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.631 15.520 -4.647 1.00 0.00 H new ATOM 778 N PRO A 51 -0.193 12.049 -6.216 1.00 0.00 N ATOM 779 CA PRO A 51 1.074 12.617 -6.690 1.00 0.00 C ATOM 780 C PRO A 51 1.856 13.369 -5.615 1.00 0.00 C ATOM 781 O PRO A 51 3.010 13.039 -5.336 1.00 0.00 O ATOM 782 CB PRO A 51 0.622 13.562 -7.798 1.00 0.00 C ATOM 783 CG PRO A 51 -0.592 12.909 -8.348 1.00 0.00 C ATOM 784 CD PRO A 51 -1.292 12.315 -7.163 1.00 0.00 C ATOM 0 HA PRO A 51 1.768 11.840 -7.012 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.400 14.556 -7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.392 13.682 -8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.229 13.630 -8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.330 12.141 -9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.026 13.003 -6.744 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.825 11.402 -7.427 1.00 0.00 H new ATOM 792 N GLU A 52 1.225 14.370 -5.014 1.00 0.00 N ATOM 793 CA GLU A 52 1.867 15.177 -3.981 1.00 0.00 C ATOM 794 C GLU A 52 2.328 14.327 -2.798 1.00 0.00 C ATOM 795 O GLU A 52 3.130 14.775 -1.977 1.00 0.00 O ATOM 796 CB GLU A 52 0.900 16.252 -3.494 1.00 0.00 C ATOM 797 CG GLU A 52 0.437 17.197 -4.589 1.00 0.00 C ATOM 798 CD GLU A 52 -0.450 18.309 -4.063 1.00 0.00 C ATOM 799 OE1 GLU A 52 -1.665 18.071 -3.900 1.00 0.00 O ATOM 800 OE2 GLU A 52 0.071 19.417 -3.815 1.00 0.00 O ATOM 0 H GLU A 52 0.265 14.644 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 52 2.750 15.640 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.029 15.770 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.381 16.831 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.307 17.633 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.106 16.632 -5.346 1.00 0.00 H new ATOM 807 N ASP A 53 1.821 13.104 -2.716 1.00 0.00 N ATOM 808 CA ASP A 53 2.166 12.201 -1.625 1.00 0.00 C ATOM 809 C ASP A 53 3.100 11.073 -2.065 1.00 0.00 C ATOM 810 O ASP A 53 3.705 10.412 -1.221 1.00 0.00 O ATOM 811 CB ASP A 53 0.895 11.603 -1.023 1.00 0.00 C ATOM 812 CG ASP A 53 0.024 12.648 -0.355 1.00 0.00 C ATOM 813 OD1 ASP A 53 -0.801 13.270 -1.056 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.168 12.846 0.870 1.00 0.00 O ATOM 0 H ASP A 53 1.167 12.713 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 53 2.697 12.792 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.324 11.106 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.166 10.840 -0.293 1.00 0.00 H new ATOM 819 N GLN A 54 3.227 10.844 -3.373 1.00 0.00 N ATOM 820 CA GLN A 54 4.088 9.780 -3.861 1.00 0.00 C ATOM 821 C GLN A 54 5.525 10.006 -3.420 1.00 0.00 C ATOM 822 O GLN A 54 6.252 9.058 -3.131 1.00 0.00 O ATOM 823 CB GLN A 54 4.029 9.677 -5.378 1.00 0.00 C ATOM 824 CG GLN A 54 2.628 9.696 -5.943 1.00 0.00 C ATOM 825 CD GLN A 54 2.612 9.620 -7.456 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.541 10.078 -8.123 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.554 9.042 -8.007 1.00 0.00 N ATOM 0 H GLN A 54 2.749 11.376 -4.100 1.00 0.00 H new ATOM 0 HA GLN A 54 3.727 8.844 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.595 10.503 -5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.522 8.756 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.063 8.858 -5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.123 10.607 -5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.807 8.676 -7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.487 8.963 -9.022 1.00 0.00 H new ATOM 836 N GLN A 55 5.932 11.269 -3.375 1.00 0.00 N ATOM 837 CA GLN A 55 7.284 11.613 -2.961 1.00 0.00 C ATOM 838 C GLN A 55 7.536 11.151 -1.532 1.00 0.00 C ATOM 839 O GLN A 55 8.660 10.814 -1.163 1.00 0.00 O ATOM 840 CB GLN A 55 7.513 13.120 -3.071 1.00 0.00 C ATOM 841 CG GLN A 55 8.932 13.546 -2.730 1.00 0.00 C ATOM 842 CD GLN A 55 9.961 12.948 -3.667 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.288 13.529 -4.701 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.479 11.780 -3.306 1.00 0.00 N ATOM 0 H GLN A 55 5.347 12.068 -3.619 1.00 0.00 H new ATOM 0 HA GLN A 55 7.984 11.104 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.280 13.441 -4.086 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.819 13.634 -2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.000 14.633 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.161 13.248 -1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.178 11.335 -2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.178 11.328 -3.895 1.00 0.00 H new ATOM 853 N LEU A 56 6.474 11.137 -0.739 1.00 0.00 N ATOM 854 CA LEU A 56 6.544 10.717 0.645 1.00 0.00 C ATOM 855 C LEU A 56 6.544 9.202 0.726 1.00 0.00 C ATOM 856 O LEU A 56 7.236 8.608 1.554 1.00 0.00 O ATOM 857 CB LEU A 56 5.357 11.297 1.415 1.00 0.00 C ATOM 858 CG LEU A 56 5.016 10.598 2.729 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.400 11.465 3.916 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.537 10.252 2.762 1.00 0.00 C ATOM 0 H LEU A 56 5.541 11.417 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 56 7.467 11.086 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.562 12.347 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.479 11.267 0.770 1.00 0.00 H new ATOM 0 HG LEU A 56 5.590 9.674 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.148 10.947 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.472 11.662 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.856 12.408 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.301 9.754 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.948 11.165 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.300 9.589 1.930 1.00 0.00 H new ATOM 872 N LEU A 57 5.758 8.587 -0.145 1.00 0.00 N ATOM 873 CA LEU A 57 5.661 7.141 -0.193 1.00 0.00 C ATOM 874 C LEU A 57 7.006 6.549 -0.579 1.00 0.00 C ATOM 875 O LEU A 57 7.577 5.734 0.145 1.00 0.00 O ATOM 876 CB LEU A 57 4.592 6.726 -1.202 1.00 0.00 C ATOM 877 CG LEU A 57 4.212 5.248 -1.171 1.00 0.00 C ATOM 878 CD1 LEU A 57 3.833 4.835 0.238 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.072 4.969 -2.140 1.00 0.00 C ATOM 0 H LEU A 57 5.177 9.071 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 57 5.379 6.766 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.695 7.320 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.944 6.974 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 57 5.074 4.659 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.564 3.779 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.679 5.000 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.983 5.429 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.815 3.910 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.202 5.563 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.381 5.233 -3.151 1.00 0.00 H new ATOM 891 N ARG A 58 7.498 6.972 -1.734 1.00 0.00 N ATOM 892 CA ARG A 58 8.788 6.524 -2.231 1.00 0.00 C ATOM 893 C ARG A 58 9.869 6.818 -1.203 1.00 0.00 C ATOM 894 O ARG A 58 10.780 6.015 -1.001 1.00 0.00 O ATOM 895 CB ARG A 58 9.118 7.225 -3.550 1.00 0.00 C ATOM 896 CG ARG A 58 8.076 7.000 -4.631 1.00 0.00 C ATOM 897 CD ARG A 58 8.308 7.905 -5.829 1.00 0.00 C ATOM 898 NE ARG A 58 9.600 7.655 -6.464 1.00 0.00 N ATOM 899 CZ ARG A 58 9.885 8.003 -7.715 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.971 8.607 -8.463 1.00 0.00 N ATOM 901 NH2 ARG A 58 11.083 7.745 -8.221 1.00 0.00 N ATOM 0 H ARG A 58 7.018 7.630 -2.348 1.00 0.00 H new ATOM 0 HA ARG A 58 8.744 5.449 -2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.217 8.295 -3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.085 6.871 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.102 5.958 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.082 7.183 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.511 7.753 -6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.256 8.946 -5.512 1.00 0.00 H new ATOM 0 HE ARG A 58 10.323 7.188 -5.917 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.047 8.805 -8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.192 8.873 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.788 7.279 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.300 8.013 -9.181 1.00 0.00 H new ATOM 915 N ASP A 59 9.755 7.974 -0.551 1.00 0.00 N ATOM 916 CA ASP A 59 10.717 8.374 0.470 1.00 0.00 C ATOM 917 C ASP A 59 10.826 7.302 1.527 1.00 0.00 C ATOM 918 O ASP A 59 11.925 6.899 1.906 1.00 0.00 O ATOM 919 CB ASP A 59 10.309 9.697 1.109 1.00 0.00 C ATOM 920 CG ASP A 59 11.308 10.172 2.146 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.301 10.823 1.759 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.097 9.895 3.345 1.00 0.00 O ATOM 0 H ASP A 59 9.007 8.648 -0.713 1.00 0.00 H new ATOM 0 HA ASP A 59 11.688 8.507 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.207 10.456 0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.331 9.585 1.576 1.00 0.00 H new ATOM 927 N SER A 60 9.680 6.848 2.003 1.00 0.00 N ATOM 928 CA SER A 60 9.650 5.803 3.002 1.00 0.00 C ATOM 929 C SER A 60 10.473 4.615 2.521 1.00 0.00 C ATOM 930 O SER A 60 11.421 4.203 3.181 1.00 0.00 O ATOM 931 CB SER A 60 8.209 5.382 3.292 1.00 0.00 C ATOM 932 OG SER A 60 7.782 4.354 2.415 1.00 0.00 O ATOM 0 H SER A 60 8.763 7.187 1.713 1.00 0.00 H new ATOM 0 HA SER A 60 10.083 6.180 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.130 5.038 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.550 6.244 3.192 1.00 0.00 H new ATOM 0 HG SER A 60 7.552 4.741 1.544 1.00 0.00 H new ATOM 938 N PHE A 61 10.127 4.098 1.346 1.00 0.00 N ATOM 939 CA PHE A 61 10.833 2.961 0.769 1.00 0.00 C ATOM 940 C PHE A 61 12.325 3.227 0.692 1.00 0.00 C ATOM 941 O PHE A 61 13.132 2.317 0.878 1.00 0.00 O ATOM 942 CB PHE A 61 10.295 2.653 -0.627 1.00 0.00 C ATOM 943 CG PHE A 61 8.798 2.518 -0.674 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.105 1.956 0.388 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.085 2.956 -1.776 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.732 1.835 0.352 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.709 2.836 -1.820 1.00 0.00 C ATOM 948 CZ PHE A 61 6.031 2.274 -0.753 1.00 0.00 C ATOM 0 H PHE A 61 9.359 4.450 0.774 1.00 0.00 H new ATOM 0 HA PHE A 61 10.666 2.101 1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.603 3.445 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.747 1.729 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.648 1.609 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.610 3.396 -2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.206 1.397 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.164 3.180 -2.686 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.956 2.179 -0.785 1.00 0.00 H new ATOM 958 N GLN A 62 12.690 4.474 0.420 1.00 0.00 N ATOM 959 CA GLN A 62 14.093 4.834 0.318 1.00 0.00 C ATOM 960 C GLN A 62 14.757 4.724 1.677 1.00 0.00 C ATOM 961 O GLN A 62 15.924 4.363 1.780 1.00 0.00 O ATOM 962 CB GLN A 62 14.246 6.254 -0.228 1.00 0.00 C ATOM 963 CG GLN A 62 13.611 6.453 -1.593 1.00 0.00 C ATOM 964 CD GLN A 62 14.637 6.666 -2.690 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.096 5.714 -3.320 1.00 0.00 O ATOM 966 NE2 GLN A 62 15.002 7.922 -2.922 1.00 0.00 N ATOM 0 H GLN A 62 12.039 5.244 0.268 1.00 0.00 H new ATOM 0 HA GLN A 62 14.579 4.145 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.799 6.955 0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.307 6.498 -0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.001 5.583 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.941 7.312 -1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.595 8.681 -2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.689 8.128 -3.647 1.00 0.00 H new ATOM 975 N GLN A 63 13.994 5.019 2.718 1.00 0.00 N ATOM 976 CA GLN A 63 14.499 4.969 4.074 1.00 0.00 C ATOM 977 C GLN A 63 14.589 3.535 4.603 1.00 0.00 C ATOM 978 O GLN A 63 15.561 3.173 5.264 1.00 0.00 O ATOM 979 CB GLN A 63 13.595 5.805 4.964 1.00 0.00 C ATOM 980 CG GLN A 63 13.565 7.277 4.576 1.00 0.00 C ATOM 981 CD GLN A 63 14.916 7.951 4.725 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.237 8.888 3.994 1.00 0.00 O ATOM 983 NE2 GLN A 63 15.717 7.479 5.673 1.00 0.00 N ATOM 0 H GLN A 63 13.015 5.297 2.644 1.00 0.00 H new ATOM 0 HA GLN A 63 15.512 5.372 4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.582 5.404 4.921 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.930 5.715 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.230 7.369 3.543 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.834 7.797 5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.412 6.701 6.257 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.637 7.895 5.817 1.00 0.00 H new ATOM 992 N VAL A 64 13.573 2.722 4.312 1.00 0.00 N ATOM 993 CA VAL A 64 13.558 1.328 4.773 1.00 0.00 C ATOM 994 C VAL A 64 14.687 0.544 4.135 1.00 0.00 C ATOM 995 O VAL A 64 15.284 -0.332 4.758 1.00 0.00 O ATOM 996 CB VAL A 64 12.214 0.595 4.464 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.105 1.574 4.139 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.367 -0.415 3.328 1.00 0.00 C ATOM 0 H VAL A 64 12.757 2.998 3.766 1.00 0.00 H new ATOM 0 HA VAL A 64 13.680 1.371 5.855 1.00 0.00 H new ATOM 0 HB VAL A 64 11.942 0.053 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.186 1.026 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.946 2.239 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.384 2.162 3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.410 -0.903 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.691 0.101 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.109 -1.164 3.604 1.00 0.00 H new ATOM 1008 N VAL A 65 14.959 0.867 2.888 1.00 0.00 N ATOM 1009 CA VAL A 65 15.987 0.196 2.130 1.00 0.00 C ATOM 1010 C VAL A 65 17.365 0.757 2.466 1.00 0.00 C ATOM 1011 O VAL A 65 18.370 0.051 2.392 1.00 0.00 O ATOM 1012 CB VAL A 65 15.690 0.325 0.631 1.00 0.00 C ATOM 1013 CG1 VAL A 65 15.967 1.738 0.143 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.468 -0.702 -0.165 1.00 0.00 C ATOM 0 H VAL A 65 14.473 1.602 2.374 1.00 0.00 H new ATOM 0 HA VAL A 65 15.990 -0.861 2.397 1.00 0.00 H new ATOM 0 HB VAL A 65 14.630 0.126 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.749 1.804 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.336 2.441 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.015 1.983 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.240 -0.590 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.536 -0.553 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.189 -1.704 0.162 1.00 0.00 H new ATOM 1024 N LYS A 66 17.403 2.035 2.833 1.00 0.00 N ATOM 1025 CA LYS A 66 18.651 2.685 3.216 1.00 0.00 C ATOM 1026 C LYS A 66 19.140 2.114 4.532 1.00 0.00 C ATOM 1027 O LYS A 66 20.327 1.846 4.716 1.00 0.00 O ATOM 1028 CB LYS A 66 18.444 4.190 3.373 1.00 0.00 C ATOM 1029 CG LYS A 66 18.654 4.971 2.087 1.00 0.00 C ATOM 1030 CD LYS A 66 18.231 6.425 2.239 1.00 0.00 C ATOM 1031 CE LYS A 66 19.140 7.179 3.197 1.00 0.00 C ATOM 1032 NZ LYS A 66 20.542 7.243 2.700 1.00 0.00 N ATOM 0 H LYS A 66 16.583 2.640 2.873 1.00 0.00 H new ATOM 0 HA LYS A 66 19.389 2.505 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.433 4.373 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.130 4.565 4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.705 4.925 1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.083 4.508 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.246 6.912 1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.204 6.469 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.759 8.190 3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.123 6.692 4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.062 7.976 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.004 6.322 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.541 7.475 1.686 1.00 0.00 H new ATOM 1046 N LEU A 67 18.195 1.933 5.440 1.00 0.00 N ATOM 1047 CA LEU A 67 18.477 1.397 6.758 1.00 0.00 C ATOM 1048 C LEU A 67 18.249 -0.106 6.754 1.00 0.00 C ATOM 1049 O LEU A 67 18.422 -0.785 7.766 1.00 0.00 O ATOM 1050 CB LEU A 67 17.573 2.095 7.768 1.00 0.00 C ATOM 1051 CG LEU A 67 17.553 3.621 7.635 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.588 4.235 8.637 1.00 0.00 C ATOM 1053 CD2 LEU A 67 18.952 4.188 7.821 1.00 0.00 C ATOM 0 H LEU A 67 17.212 2.154 5.283 1.00 0.00 H new ATOM 0 HA LEU A 67 19.516 1.576 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.557 1.717 7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.899 1.832 8.774 1.00 0.00 H new ATOM 0 HG LEU A 67 17.209 3.875 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.589 5.319 8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.583 3.853 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.899 3.974 9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 67 18.921 5.273 7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.323 3.923 8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.616 3.775 7.062 1.00 0.00 H new ATOM 1065 N LYS A 68 17.869 -0.597 5.578 1.00 0.00 N ATOM 1066 CA LYS A 68 17.599 -2.012 5.339 1.00 0.00 C ATOM 1067 C LYS A 68 17.028 -2.714 6.562 1.00 0.00 C ATOM 1068 O LYS A 68 17.756 -3.286 7.374 1.00 0.00 O ATOM 1069 CB LYS A 68 18.852 -2.727 4.860 1.00 0.00 C ATOM 1070 CG LYS A 68 18.568 -3.773 3.794 1.00 0.00 C ATOM 1071 CD LYS A 68 18.661 -3.188 2.395 1.00 0.00 C ATOM 1072 CE LYS A 68 17.602 -3.778 1.477 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.903 -3.517 0.042 1.00 0.00 N ATOM 0 H LYS A 68 17.738 -0.014 4.751 1.00 0.00 H new ATOM 0 HA LYS A 68 16.840 -2.057 4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.553 -1.993 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.338 -3.205 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.277 -4.595 3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.573 -4.190 3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.542 -2.106 2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.651 -3.382 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.535 -4.853 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.629 -3.355 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.014 -3.452 -0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.426 -2.622 -0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.480 -4.294 -0.339 1.00 0.00 H new ATOM 1087 N GLY A 69 15.713 -2.661 6.666 1.00 0.00 N ATOM 1088 CA GLY A 69 15.012 -3.296 7.764 1.00 0.00 C ATOM 1089 C GLY A 69 14.192 -2.310 8.565 1.00 0.00 C ATOM 1090 O GLY A 69 13.076 -2.618 8.985 1.00 0.00 O ATOM 0 H GLY A 69 15.107 -2.182 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.359 -4.076 7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.733 -3.783 8.420 1.00 0.00 H new ATOM 1094 N GLN A 70 14.748 -1.124 8.780 1.00 0.00 N ATOM 1095 CA GLN A 70 14.056 -0.081 9.522 1.00 0.00 C ATOM 1096 C GLN A 70 12.716 0.214 8.861 1.00 0.00 C ATOM 1097 O GLN A 70 12.663 0.584 7.689 1.00 0.00 O ATOM 1098 CB GLN A 70 14.913 1.180 9.568 1.00 0.00 C ATOM 1099 CG GLN A 70 14.437 2.217 10.568 1.00 0.00 C ATOM 1100 CD GLN A 70 14.360 1.674 11.982 1.00 0.00 C ATOM 1101 OE1 GLN A 70 13.327 1.156 12.406 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.458 1.789 12.720 1.00 0.00 N ATOM 0 H GLN A 70 15.677 -0.862 8.450 1.00 0.00 H new ATOM 0 HA GLN A 70 13.880 -0.420 10.543 1.00 0.00 H new ATOM 0 HB2 GLN A 70 15.938 0.901 9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.932 1.630 8.575 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.113 3.072 10.548 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.454 2.580 10.269 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.292 2.225 12.328 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.467 1.441 13.679 1.00 0.00 H new ATOM 1111 N VAL A 71 11.638 0.053 9.615 1.00 0.00 N ATOM 1112 CA VAL A 71 10.305 0.276 9.077 1.00 0.00 C ATOM 1113 C VAL A 71 9.937 1.756 9.040 1.00 0.00 C ATOM 1114 O VAL A 71 10.270 2.528 9.941 1.00 0.00 O ATOM 1115 CB VAL A 71 9.240 -0.517 9.860 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.916 0.156 11.185 1.00 0.00 C ATOM 1117 CG2 VAL A 71 7.990 -0.701 9.014 1.00 0.00 C ATOM 0 H VAL A 71 11.660 -0.229 10.595 1.00 0.00 H new ATOM 0 HA VAL A 71 10.324 -0.088 8.050 1.00 0.00 H new ATOM 0 HB VAL A 71 9.646 -1.503 10.088 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.162 -0.427 11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.819 0.218 11.792 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.534 1.160 10.999 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.247 -1.263 9.580 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.583 0.275 8.749 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.243 -1.247 8.105 1.00 0.00 H new ATOM 1127 N LEU A 72 9.250 2.127 7.968 1.00 0.00 N ATOM 1128 CA LEU A 72 8.813 3.488 7.725 1.00 0.00 C ATOM 1129 C LEU A 72 7.299 3.597 7.824 1.00 0.00 C ATOM 1130 O LEU A 72 6.579 2.625 7.578 1.00 0.00 O ATOM 1131 CB LEU A 72 9.253 3.904 6.322 1.00 0.00 C ATOM 1132 CG LEU A 72 10.670 4.461 6.195 1.00 0.00 C ATOM 1133 CD1 LEU A 72 10.693 5.923 6.578 1.00 0.00 C ATOM 1134 CD2 LEU A 72 11.651 3.663 7.042 1.00 0.00 C ATOM 0 H LEU A 72 8.978 1.476 7.232 1.00 0.00 H new ATOM 0 HA LEU A 72 9.258 4.140 8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.165 3.039 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.555 4.656 5.953 1.00 0.00 H new ATOM 0 HG LEU A 72 10.982 4.370 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.708 6.308 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.030 6.482 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.357 6.034 7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.651 4.082 6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.351 3.711 8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.655 2.624 6.713 1.00 0.00 H new ATOM 1146 N SER A 73 6.822 4.783 8.175 1.00 0.00 N ATOM 1147 CA SER A 73 5.392 5.026 8.285 1.00 0.00 C ATOM 1148 C SER A 73 5.027 6.311 7.571 1.00 0.00 C ATOM 1149 O SER A 73 5.458 7.397 7.959 1.00 0.00 O ATOM 1150 CB SER A 73 4.962 5.108 9.744 1.00 0.00 C ATOM 1151 OG SER A 73 3.574 4.860 9.880 1.00 0.00 O ATOM 0 H SER A 73 7.405 5.592 8.388 1.00 0.00 H new ATOM 0 HA SER A 73 4.870 4.191 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.524 4.383 10.333 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.199 6.095 10.142 1.00 0.00 H new ATOM 0 HG SER A 73 3.323 4.917 10.826 1.00 0.00 H new ATOM 1157 N VAL A 74 4.229 6.181 6.526 1.00 0.00 N ATOM 1158 CA VAL A 74 3.810 7.346 5.748 1.00 0.00 C ATOM 1159 C VAL A 74 2.344 7.260 5.358 1.00 0.00 C ATOM 1160 O VAL A 74 1.864 6.206 4.944 1.00 0.00 O ATOM 1161 CB VAL A 74 4.650 7.512 4.462 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.119 7.720 4.790 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.468 6.318 3.545 1.00 0.00 C ATOM 0 H VAL A 74 3.858 5.291 6.194 1.00 0.00 H new ATOM 0 HA VAL A 74 3.966 8.210 6.393 1.00 0.00 H new ATOM 0 HB VAL A 74 4.294 8.401 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.686 7.834 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.233 8.617 5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.494 6.858 5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.068 6.455 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.788 5.412 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.417 6.227 3.270 1.00 0.00 H new ATOM 1173 N MET A 75 1.629 8.370 5.492 1.00 0.00 N ATOM 1174 CA MET A 75 0.226 8.394 5.116 1.00 0.00 C ATOM 1175 C MET A 75 0.071 8.989 3.737 1.00 0.00 C ATOM 1176 O MET A 75 0.565 10.080 3.456 1.00 0.00 O ATOM 1177 CB MET A 75 -0.626 9.187 6.098 1.00 0.00 C ATOM 1178 CG MET A 75 -0.806 8.509 7.437 1.00 0.00 C ATOM 1179 SD MET A 75 -2.212 9.158 8.356 1.00 0.00 S ATOM 1180 CE MET A 75 -3.553 8.642 7.288 1.00 0.00 C ATOM 0 H MET A 75 1.993 9.252 5.853 1.00 0.00 H new ATOM 0 HA MET A 75 -0.123 7.361 5.127 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.169 10.164 6.255 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.607 9.362 5.655 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.940 7.438 7.283 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.100 8.635 8.029 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.501 8.982 7.704 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.416 9.075 6.297 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.559 7.555 7.211 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.620 8.267 2.881 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.843 8.733 1.521 1.00 0.00 C ATOM 1192 C PHE A 76 -2.253 8.411 1.046 1.00 0.00 C ATOM 1193 O PHE A 76 -2.957 7.607 1.649 1.00 0.00 O ATOM 1194 CB PHE A 76 0.179 8.100 0.581 1.00 0.00 C ATOM 1195 CG PHE A 76 -0.125 6.670 0.254 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.194 5.653 1.139 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.735 6.343 -0.942 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -0.091 4.343 0.831 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -1.019 5.030 -1.252 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.695 4.029 -0.361 1.00 0.00 C ATOM 0 H PHE A 76 -1.036 7.361 3.096 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.725 9.817 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.219 8.677 -0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.167 8.159 1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.670 5.891 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.992 7.125 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.161 3.559 1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.494 4.786 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.916 2.999 -0.601 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.649 9.043 -0.048 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.973 8.834 -0.621 1.00 0.00 C ATOM 1212 C ARG A 77 -3.917 7.810 -1.753 1.00 0.00 C ATOM 1213 O ARG A 77 -3.432 8.101 -2.846 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.535 10.164 -1.119 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.634 11.213 -0.024 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.755 12.620 -0.587 1.00 0.00 C ATOM 1217 NE ARG A 77 -6.053 12.856 -1.213 1.00 0.00 N ATOM 1218 CZ ARG A 77 -6.962 13.697 -0.727 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -6.711 14.380 0.383 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -8.121 13.860 -1.349 1.00 0.00 N ATOM 0 H ARG A 77 -2.070 9.709 -0.560 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.634 8.440 0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.901 10.542 -1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.524 9.997 -1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.498 10.999 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.753 11.153 0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.603 13.344 0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.965 12.785 -1.320 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.275 12.348 -2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.820 14.261 0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.409 15.024 0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.319 13.340 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.815 14.506 -0.973 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.417 6.611 -1.474 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.423 5.522 -2.448 1.00 0.00 C ATOM 1236 C PHE A 78 -5.675 5.549 -3.316 1.00 0.00 C ATOM 1237 O PHE A 78 -6.759 5.200 -2.851 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.362 4.166 -1.726 1.00 0.00 C ATOM 1239 CG PHE A 78 -4.000 3.009 -2.628 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.902 2.521 -3.564 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.755 2.411 -2.537 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.562 1.460 -4.388 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.412 1.354 -3.358 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.315 0.879 -4.283 1.00 0.00 C ATOM 0 H PHE A 78 -4.827 6.366 -0.573 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.549 5.656 -3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.632 4.227 -0.919 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.330 3.966 -1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.879 2.973 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.041 2.776 -1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.272 1.088 -5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.436 0.900 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.047 0.053 -4.925 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.536 5.958 -4.575 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.676 5.951 -5.477 1.00 0.00 C ATOM 1256 C ARG A 79 -7.085 4.505 -5.681 1.00 0.00 C ATOM 1257 O ARG A 79 -6.431 3.761 -6.411 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.342 6.614 -6.815 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.498 6.600 -7.807 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.554 5.291 -8.568 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.199 5.437 -9.871 1.00 0.00 N ATOM 1262 CZ ARG A 79 -7.664 5.003 -11.008 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -6.485 4.394 -11.002 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -8.306 5.179 -12.155 1.00 0.00 N ATOM 0 H ARG A 79 -4.663 6.291 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.494 6.526 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.041 7.646 -6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.486 6.106 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.437 6.755 -7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.388 7.427 -8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.542 4.909 -8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.095 4.552 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.109 5.897 -9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.986 4.257 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.078 4.062 -11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.212 5.648 -12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.894 4.845 -13.026 1.00 0.00 H new ATOM 1278 N SER A 80 -8.151 4.105 -5.013 1.00 0.00 N ATOM 1279 CA SER A 80 -8.617 2.740 -5.080 1.00 0.00 C ATOM 1280 C SER A 80 -9.515 2.472 -6.280 1.00 0.00 C ATOM 1281 O SER A 80 -9.707 3.333 -7.136 1.00 0.00 O ATOM 1282 CB SER A 80 -9.332 2.404 -3.786 1.00 0.00 C ATOM 1283 OG SER A 80 -8.415 2.392 -2.709 1.00 0.00 O ATOM 0 H SER A 80 -8.711 4.713 -4.415 1.00 0.00 H new ATOM 0 HA SER A 80 -7.748 2.096 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.118 3.135 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.816 1.431 -3.872 1.00 0.00 H new ATOM 0 HG SER A 80 -7.926 3.241 -2.686 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.040 1.252 -6.333 1.00 0.00 N ATOM 1290 CA LYS A 81 -10.911 0.822 -7.411 1.00 0.00 C ATOM 1291 C LYS A 81 -12.135 1.724 -7.508 1.00 0.00 C ATOM 1292 O LYS A 81 -12.750 1.851 -8.567 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.333 -0.626 -7.187 1.00 0.00 C ATOM 1294 CG LYS A 81 -11.807 -1.287 -8.453 1.00 0.00 C ATOM 1295 CD LYS A 81 -10.925 -2.461 -8.809 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.027 -2.799 -10.277 1.00 0.00 C ATOM 1297 NZ LYS A 81 -10.053 -2.024 -11.095 1.00 0.00 N ATOM 0 H LYS A 81 -9.871 0.536 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.365 0.892 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.492 -1.188 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.129 -0.659 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.836 -1.624 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.804 -0.564 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.890 -2.230 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.212 -3.328 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.851 -3.866 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.039 -2.594 -10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.959 -2.464 -12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.391 -1.046 -11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.127 -2.020 -10.621 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.475 2.354 -6.389 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.619 3.253 -6.328 1.00 0.00 C ATOM 1313 C ASN A 82 -13.256 4.627 -6.881 1.00 0.00 C ATOM 1314 O ASN A 82 -14.084 5.539 -6.903 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.109 3.373 -4.886 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.641 2.059 -4.349 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.349 1.332 -5.047 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.289 1.738 -3.110 1.00 0.00 N ATOM 0 H ASN A 82 -11.971 2.257 -5.508 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.419 2.841 -6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.290 3.717 -4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.892 4.129 -4.832 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.607 0.859 -2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.701 2.370 -2.567 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.006 4.761 -7.321 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.506 6.011 -7.887 1.00 0.00 C ATOM 1327 C GLN A 83 -11.588 7.133 -6.860 1.00 0.00 C ATOM 1328 O GLN A 83 -11.913 8.273 -7.190 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.297 6.382 -9.144 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.642 5.187 -10.020 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.314 5.418 -11.480 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -13.128 5.946 -12.236 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -11.117 5.012 -11.886 1.00 0.00 N ATOM 0 H GLN A 83 -11.316 4.011 -7.295 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.461 5.870 -8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.218 6.884 -8.849 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.719 7.097 -9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.098 4.312 -9.664 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.704 4.964 -9.921 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.474 4.579 -11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.841 5.133 -12.860 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.284 6.792 -5.614 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.319 7.756 -4.524 1.00 0.00 C ATOM 1344 C GLU A 84 -10.013 7.735 -3.739 1.00 0.00 C ATOM 1345 O GLU A 84 -9.405 6.679 -3.557 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.494 7.457 -3.600 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.844 7.740 -4.234 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.147 9.223 -4.327 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -13.730 9.854 -5.322 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -14.802 9.753 -3.406 1.00 0.00 O ATOM 0 H GLU A 84 -11.009 5.851 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.445 8.752 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.454 6.410 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.394 8.053 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.870 7.305 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.624 7.250 -3.652 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.587 8.904 -3.275 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.352 9.020 -2.513 1.00 0.00 C ATOM 1359 C TRP A 85 -8.490 8.355 -1.144 1.00 0.00 C ATOM 1360 O TRP A 85 -8.926 8.981 -0.177 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.972 10.495 -2.357 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.474 11.120 -3.623 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.906 12.277 -4.200 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.445 10.615 -4.464 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -7.205 12.515 -5.360 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.299 11.504 -5.542 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.637 9.491 -4.401 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.367 11.295 -6.556 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.710 9.279 -5.401 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.582 10.178 -6.469 1.00 0.00 C ATOM 0 H TRP A 85 -10.081 9.786 -3.414 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.560 8.505 -3.057 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.841 11.051 -2.004 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -7.203 10.585 -1.590 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.684 12.913 -3.805 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.338 13.313 -5.982 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.731 8.792 -3.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.268 11.988 -7.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -4.074 8.407 -5.360 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.849 9.985 -7.238 1.00 0.00 H new ATOM 1381 N LEU A 86 -8.110 7.081 -1.076 1.00 0.00 N ATOM 1382 CA LEU A 86 -8.189 6.310 0.161 1.00 0.00 C ATOM 1383 C LEU A 86 -6.966 6.535 1.041 1.00 0.00 C ATOM 1384 O LEU A 86 -5.900 5.986 0.775 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.306 4.815 -0.157 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.622 4.352 -0.796 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.905 2.913 -0.401 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.777 5.253 -0.388 1.00 0.00 C ATOM 0 H LEU A 86 -7.742 6.558 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.073 6.649 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.488 4.543 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.161 4.257 0.768 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.521 4.413 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.840 2.588 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.092 2.274 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.986 2.843 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.696 4.901 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.890 5.231 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.574 6.274 -0.711 1.00 0.00 H new ATOM 1400 N TRP A 87 -7.119 7.317 2.107 1.00 0.00 N ATOM 1401 CA TRP A 87 -6.001 7.577 3.000 1.00 0.00 C ATOM 1402 C TRP A 87 -5.532 6.288 3.645 1.00 0.00 C ATOM 1403 O TRP A 87 -6.322 5.535 4.214 1.00 0.00 O ATOM 1404 CB TRP A 87 -6.367 8.596 4.070 1.00 0.00 C ATOM 1405 CG TRP A 87 -6.070 10.004 3.658 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.966 10.924 3.195 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.788 10.652 3.653 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -6.325 12.101 2.897 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.989 11.960 3.168 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -3.488 10.258 4.006 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.947 12.872 3.026 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -2.458 11.170 3.864 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.692 12.461 3.377 1.00 0.00 C ATOM 0 H TRP A 87 -7.993 7.774 2.368 1.00 0.00 H new ATOM 0 HA TRP A 87 -5.190 7.994 2.404 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.428 8.507 4.302 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.820 8.367 4.985 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -8.026 10.751 3.080 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.771 12.943 2.533 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.296 9.263 4.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -4.124 13.869 2.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.453 10.880 4.134 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.864 13.147 3.277 1.00 0.00 H new ATOM 1424 N MET A 88 -4.241 6.047 3.544 1.00 0.00 N ATOM 1425 CA MET A 88 -3.636 4.847 4.092 1.00 0.00 C ATOM 1426 C MET A 88 -2.326 5.154 4.782 1.00 0.00 C ATOM 1427 O MET A 88 -1.693 6.175 4.528 1.00 0.00 O ATOM 1428 CB MET A 88 -3.368 3.839 2.979 1.00 0.00 C ATOM 1429 CG MET A 88 -4.584 3.511 2.152 1.00 0.00 C ATOM 1430 SD MET A 88 -5.455 2.044 2.709 1.00 0.00 S ATOM 1431 CE MET A 88 -6.741 1.979 1.469 1.00 0.00 C ATOM 0 H MET A 88 -3.582 6.674 3.082 1.00 0.00 H new ATOM 0 HA MET A 88 -4.335 4.434 4.820 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.590 4.232 2.325 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.980 2.920 3.419 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.268 4.360 2.173 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.281 3.372 1.114 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.934 0.941 1.199 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.652 2.426 1.866 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.422 2.531 0.585 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.938 4.251 5.657 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.688 4.363 6.379 1.00 0.00 C ATOM 1443 C ARG A 89 0.193 3.182 6.002 1.00 0.00 C ATOM 1444 O ARG A 89 -0.194 2.030 6.196 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.939 4.360 7.883 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.966 5.378 8.330 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.557 6.024 9.638 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.714 5.118 10.772 1.00 0.00 N ATOM 1449 CZ ARG A 89 -1.137 5.309 11.956 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.360 6.365 12.157 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -1.335 4.442 12.939 1.00 0.00 N ATOM 0 H ARG A 89 -2.480 3.418 5.888 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.197 5.300 6.116 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.270 3.366 8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.001 4.554 8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.082 6.144 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.936 4.894 8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.518 6.346 9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.158 6.918 9.803 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.299 4.292 10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.203 7.034 11.403 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.081 6.508 13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.930 3.627 12.788 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.892 4.589 13.846 1.00 0.00 H new ATOM 1465 N THR A 90 1.373 3.456 5.474 1.00 0.00 N ATOM 1466 CA THR A 90 2.257 2.382 5.039 1.00 0.00 C ATOM 1467 C THR A 90 3.290 1.992 6.078 1.00 0.00 C ATOM 1468 O THR A 90 3.882 2.851 6.737 1.00 0.00 O ATOM 1469 CB THR A 90 3.022 2.757 3.767 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.201 3.491 4.105 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.154 3.580 2.846 1.00 0.00 C ATOM 0 H THR A 90 1.740 4.398 5.336 1.00 0.00 H new ATOM 0 HA THR A 90 1.589 1.539 4.861 1.00 0.00 H new ATOM 0 HB THR A 90 3.304 1.839 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.993 2.958 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.717 3.836 1.948 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.270 3.005 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.848 4.494 3.355 1.00 0.00 H new ATOM 1479 N SER A 91 3.499 0.682 6.188 1.00 0.00 N ATOM 1480 CA SER A 91 4.498 0.109 7.077 1.00 0.00 C ATOM 1481 C SER A 91 5.563 -0.547 6.207 1.00 0.00 C ATOM 1482 O SER A 91 5.663 -1.773 6.131 1.00 0.00 O ATOM 1483 CB SER A 91 3.855 -0.915 8.018 1.00 0.00 C ATOM 1484 OG SER A 91 3.603 -0.351 9.293 1.00 0.00 O ATOM 0 H SER A 91 2.974 -0.014 5.658 1.00 0.00 H new ATOM 0 HA SER A 91 4.945 0.883 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.921 -1.274 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.511 -1.779 8.123 1.00 0.00 H new ATOM 0 HG SER A 91 3.191 -1.025 9.873 1.00 0.00 H new ATOM 1490 N SER A 92 6.349 0.297 5.542 1.00 0.00 N ATOM 1491 CA SER A 92 7.377 -0.156 4.608 1.00 0.00 C ATOM 1492 C SER A 92 8.670 -0.565 5.299 1.00 0.00 C ATOM 1493 O SER A 92 9.246 0.189 6.069 1.00 0.00 O ATOM 1494 CB SER A 92 7.668 0.949 3.599 1.00 0.00 C ATOM 1495 OG SER A 92 6.518 1.743 3.369 1.00 0.00 O ATOM 0 H SER A 92 6.292 1.311 5.635 1.00 0.00 H new ATOM 0 HA SER A 92 6.987 -1.043 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.480 1.577 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.004 0.509 2.660 1.00 0.00 H new ATOM 0 HG SER A 92 6.791 2.629 3.052 1.00 0.00 H new ATOM 1501 N GLN A 93 9.125 -1.769 4.995 1.00 0.00 N ATOM 1502 CA GLN A 93 10.361 -2.293 5.550 1.00 0.00 C ATOM 1503 C GLN A 93 10.803 -3.506 4.751 1.00 0.00 C ATOM 1504 O GLN A 93 9.973 -4.306 4.334 1.00 0.00 O ATOM 1505 CB GLN A 93 10.187 -2.655 7.017 1.00 0.00 C ATOM 1506 CG GLN A 93 9.128 -3.710 7.271 1.00 0.00 C ATOM 1507 CD GLN A 93 9.047 -4.086 8.732 1.00 0.00 C ATOM 1508 OE1 GLN A 93 7.996 -4.488 9.230 1.00 0.00 O ATOM 1509 NE2 GLN A 93 10.166 -3.947 9.424 1.00 0.00 N ATOM 0 H GLN A 93 8.650 -2.409 4.359 1.00 0.00 H new ATOM 0 HA GLN A 93 11.129 -1.522 5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.140 -3.010 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.929 -1.755 7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.159 -3.339 6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.351 -4.598 6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.012 -3.610 8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.183 -4.177 10.418 1.00 0.00 H new ATOM 1518 N THR A 94 12.109 -3.645 4.563 1.00 0.00 N ATOM 1519 CA THR A 94 12.663 -4.743 3.777 1.00 0.00 C ATOM 1520 C THR A 94 11.905 -6.044 4.004 1.00 0.00 C ATOM 1521 O THR A 94 11.836 -6.557 5.122 1.00 0.00 O ATOM 1522 CB THR A 94 14.149 -4.942 4.091 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.304 -5.584 5.363 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.855 -3.599 4.106 1.00 0.00 C ATOM 0 H THR A 94 12.808 -3.009 4.946 1.00 0.00 H new ATOM 0 HA THR A 94 12.554 -4.470 2.727 1.00 0.00 H new ATOM 0 HB THR A 94 14.591 -5.573 3.320 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.446 -5.966 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.912 -3.746 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.753 -3.124 3.130 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.408 -2.961 4.869 1.00 0.00 H new ATOM 1532 N ALA A 95 11.334 -6.560 2.921 1.00 0.00 N ATOM 1533 CA ALA A 95 10.550 -7.787 2.958 1.00 0.00 C ATOM 1534 C ALA A 95 11.308 -8.948 3.592 1.00 0.00 C ATOM 1535 O ALA A 95 12.500 -8.850 3.884 1.00 0.00 O ATOM 1536 CB ALA A 95 10.103 -8.152 1.554 1.00 0.00 C ATOM 0 H ALA A 95 11.402 -6.139 1.994 1.00 0.00 H new ATOM 0 HA ALA A 95 9.679 -7.599 3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.517 -9.070 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.493 -7.346 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.978 -8.302 0.921 1.00 0.00 H new ATOM 1542 N GLN A 96 10.596 -10.052 3.796 1.00 0.00 N ATOM 1543 CA GLN A 96 11.166 -11.246 4.398 1.00 0.00 C ATOM 1544 C GLN A 96 12.129 -11.945 3.455 1.00 0.00 C ATOM 1545 O GLN A 96 13.327 -11.659 3.455 1.00 0.00 O ATOM 1546 CB GLN A 96 10.048 -12.193 4.809 1.00 0.00 C ATOM 1547 CG GLN A 96 8.880 -11.490 5.479 1.00 0.00 C ATOM 1548 CD GLN A 96 7.867 -12.460 6.051 1.00 0.00 C ATOM 1549 OE1 GLN A 96 6.672 -12.170 6.100 1.00 0.00 O ATOM 1550 NE2 GLN A 96 8.341 -13.619 6.491 1.00 0.00 N ATOM 0 H GLN A 96 9.611 -10.141 3.548 1.00 0.00 H new ATOM 0 HA GLN A 96 11.733 -10.945 5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.687 -12.722 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.449 -12.944 5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.255 -10.850 6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.387 -10.841 4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.340 -13.817 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.707 -14.311 6.889 1.00 0.00 H new ATOM 1559 N ASN A 97 11.602 -12.856 2.654 1.00 0.00 N ATOM 1560 CA ASN A 97 12.421 -13.604 1.714 1.00 0.00 C ATOM 1561 C ASN A 97 11.552 -14.475 0.803 1.00 0.00 C ATOM 1562 O ASN A 97 10.460 -14.889 1.194 1.00 0.00 O ATOM 1563 CB ASN A 97 13.418 -14.468 2.487 1.00 0.00 C ATOM 1564 CG ASN A 97 12.782 -15.724 3.051 1.00 0.00 C ATOM 1565 OD1 ASN A 97 12.751 -16.766 2.397 1.00 0.00 O ATOM 1566 ND2 ASN A 97 12.271 -15.630 4.273 1.00 0.00 N ATOM 0 H ASN A 97 10.611 -13.096 2.636 1.00 0.00 H new ATOM 0 HA ASN A 97 12.964 -12.901 1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.241 -14.746 1.828 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.845 -13.884 3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.831 -16.442 4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.319 -14.746 4.779 1.00 0.00 H new ATOM 1573 N PRO A 98 12.017 -14.765 -0.430 1.00 0.00 N ATOM 1574 CA PRO A 98 13.308 -14.301 -0.948 1.00 0.00 C ATOM 1575 C PRO A 98 13.253 -12.857 -1.440 1.00 0.00 C ATOM 1576 O PRO A 98 14.098 -12.426 -2.224 1.00 0.00 O ATOM 1577 CB PRO A 98 13.540 -15.250 -2.117 1.00 0.00 C ATOM 1578 CG PRO A 98 12.183 -15.513 -2.641 1.00 0.00 C ATOM 1579 CD PRO A 98 11.305 -15.583 -1.432 1.00 0.00 C ATOM 0 HA PRO A 98 14.093 -14.308 -0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 98 14.180 -14.799 -2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.028 -16.170 -1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.861 -14.721 -3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.152 -16.445 -3.205 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.310 -15.188 -1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.176 -16.610 -1.091 1.00 0.00 H new ATOM 1587 N TYR A 99 12.253 -12.116 -0.974 1.00 0.00 N ATOM 1588 CA TYR A 99 12.080 -10.727 -1.370 1.00 0.00 C ATOM 1589 C TYR A 99 12.715 -9.797 -0.346 1.00 0.00 C ATOM 1590 O TYR A 99 12.285 -8.663 -0.177 1.00 0.00 O ATOM 1591 CB TYR A 99 10.589 -10.407 -1.531 1.00 0.00 C ATOM 1592 CG TYR A 99 9.724 -11.626 -1.768 1.00 0.00 C ATOM 1593 CD1 TYR A 99 9.981 -12.482 -2.829 1.00 0.00 C ATOM 1594 CD2 TYR A 99 8.658 -11.926 -0.929 1.00 0.00 C ATOM 1595 CE1 TYR A 99 9.202 -13.601 -3.052 1.00 0.00 C ATOM 1596 CE2 TYR A 99 7.872 -13.043 -1.145 1.00 0.00 C ATOM 1597 CZ TYR A 99 8.148 -13.877 -2.206 1.00 0.00 C ATOM 1598 OH TYR A 99 7.369 -14.990 -2.424 1.00 0.00 O ATOM 0 H TYR A 99 11.549 -12.458 -0.320 1.00 0.00 H new ATOM 0 HA TYR A 99 12.577 -10.573 -2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.239 -9.893 -0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.463 -9.716 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.806 -12.270 -3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.440 -11.276 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.417 -14.256 -3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.045 -13.261 -0.485 1.00 0.00 H new ATOM 0 HH TYR A 99 6.671 -15.040 -1.738 1.00 0.00 H new ATOM 1608 N SER A 100 13.748 -10.282 0.333 1.00 0.00 N ATOM 1609 CA SER A 100 14.433 -9.484 1.343 1.00 0.00 C ATOM 1610 C SER A 100 14.938 -8.172 0.756 1.00 0.00 C ATOM 1611 O SER A 100 14.877 -7.127 1.404 1.00 0.00 O ATOM 1612 CB SER A 100 15.599 -10.271 1.946 1.00 0.00 C ATOM 1613 OG SER A 100 16.248 -9.526 2.962 1.00 0.00 O ATOM 0 H SER A 100 14.128 -11.220 0.204 1.00 0.00 H new ATOM 0 HA SER A 100 13.715 -9.253 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.232 -11.211 2.358 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.314 -10.524 1.163 1.00 0.00 H new ATOM 0 HG SER A 100 16.988 -10.052 3.331 1.00 0.00 H new ATOM 1619 N ASP A 101 15.435 -8.232 -0.475 1.00 0.00 N ATOM 1620 CA ASP A 101 15.944 -7.045 -1.149 1.00 0.00 C ATOM 1621 C ASP A 101 14.802 -6.100 -1.508 1.00 0.00 C ATOM 1622 O ASP A 101 15.029 -4.978 -1.960 1.00 0.00 O ATOM 1623 CB ASP A 101 16.711 -7.439 -2.413 1.00 0.00 C ATOM 1624 CG ASP A 101 17.880 -8.358 -2.116 1.00 0.00 C ATOM 1625 OD1 ASP A 101 17.664 -9.586 -2.036 1.00 0.00 O ATOM 1626 OD2 ASP A 101 19.011 -7.851 -1.965 1.00 0.00 O ATOM 0 H ASP A 101 15.496 -9.089 -1.025 1.00 0.00 H new ATOM 0 HA ASP A 101 16.622 -6.531 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.032 -7.932 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.076 -6.539 -2.909 1.00 0.00 H new ATOM 1631 N GLU A 102 13.573 -6.565 -1.301 1.00 0.00 N ATOM 1632 CA GLU A 102 12.392 -5.776 -1.600 1.00 0.00 C ATOM 1633 C GLU A 102 11.976 -4.930 -0.412 1.00 0.00 C ATOM 1634 O GLU A 102 12.792 -4.594 0.446 1.00 0.00 O ATOM 1635 CB GLU A 102 11.246 -6.685 -1.995 1.00 0.00 C ATOM 1636 CG GLU A 102 11.529 -7.491 -3.237 1.00 0.00 C ATOM 1637 CD GLU A 102 12.518 -6.825 -4.176 1.00 0.00 C ATOM 1638 OE1 GLU A 102 12.091 -5.961 -4.972 1.00 0.00 O ATOM 1639 OE2 GLU A 102 13.717 -7.166 -4.117 1.00 0.00 O ATOM 0 H GLU A 102 13.373 -7.492 -0.924 1.00 0.00 H new ATOM 0 HA GLU A 102 12.638 -5.111 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.029 -7.364 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.352 -6.083 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.916 -8.468 -2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.594 -7.664 -3.770 1.00 0.00 H new ATOM 1646 N ILE A 103 10.692 -4.597 -0.370 1.00 0.00 N ATOM 1647 CA ILE A 103 10.143 -3.779 0.702 1.00 0.00 C ATOM 1648 C ILE A 103 8.693 -4.139 1.006 1.00 0.00 C ATOM 1649 O ILE A 103 7.786 -3.846 0.224 1.00 0.00 O ATOM 1650 CB ILE A 103 10.224 -2.275 0.352 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.683 -1.858 0.135 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.559 -1.426 1.436 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.858 -0.450 -0.390 1.00 0.00 C ATOM 0 H ILE A 103 10.008 -4.883 -1.071 1.00 0.00 H new ATOM 0 HA ILE A 103 10.747 -3.981 1.586 1.00 0.00 H new ATOM 0 HB ILE A 103 9.680 -2.105 -0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.219 -1.950 1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.147 -2.554 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.629 -0.372 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.510 -1.708 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.063 -1.592 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.920 -0.237 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.354 -0.355 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.427 0.258 0.317 1.00 0.00 H new ATOM 1665 N GLU A 104 8.494 -4.789 2.146 1.00 0.00 N ATOM 1666 CA GLU A 104 7.171 -5.171 2.607 1.00 0.00 C ATOM 1667 C GLU A 104 6.455 -3.952 3.168 1.00 0.00 C ATOM 1668 O GLU A 104 6.792 -3.462 4.246 1.00 0.00 O ATOM 1669 CB GLU A 104 7.288 -6.240 3.685 1.00 0.00 C ATOM 1670 CG GLU A 104 6.038 -7.084 3.844 1.00 0.00 C ATOM 1671 CD GLU A 104 6.212 -8.204 4.851 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.079 -7.938 6.064 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.483 -9.347 4.425 1.00 0.00 O ATOM 0 H GLU A 104 9.248 -5.065 2.775 1.00 0.00 H new ATOM 0 HA GLU A 104 6.600 -5.571 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.128 -6.892 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.515 -5.760 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.211 -6.446 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.766 -7.509 2.878 1.00 0.00 H new ATOM 1680 N THR A 105 5.471 -3.468 2.433 1.00 0.00 N ATOM 1681 CA THR A 105 4.720 -2.294 2.834 1.00 0.00 C ATOM 1682 C THR A 105 3.275 -2.635 3.181 1.00 0.00 C ATOM 1683 O THR A 105 2.483 -2.988 2.308 1.00 0.00 O ATOM 1684 CB THR A 105 4.759 -1.246 1.709 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.068 -0.680 1.638 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.737 -0.142 1.926 1.00 0.00 C ATOM 0 H THR A 105 5.172 -3.875 1.547 1.00 0.00 H new ATOM 0 HA THR A 105 5.186 -1.889 3.732 1.00 0.00 H new ATOM 0 HB THR A 105 4.510 -1.747 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.211 -0.297 0.747 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.799 0.577 1.109 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.736 -0.573 1.955 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.942 0.363 2.870 1.00 0.00 H new ATOM 1694 N ILE A 106 2.939 -2.525 4.465 1.00 0.00 N ATOM 1695 CA ILE A 106 1.581 -2.813 4.920 1.00 0.00 C ATOM 1696 C ILE A 106 0.711 -1.568 4.830 1.00 0.00 C ATOM 1697 O ILE A 106 0.806 -0.668 5.665 1.00 0.00 O ATOM 1698 CB ILE A 106 1.538 -3.343 6.370 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.214 -4.714 6.465 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.092 -3.427 6.859 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.725 -4.654 6.390 1.00 0.00 C ATOM 0 H ILE A 106 3.583 -2.241 5.203 1.00 0.00 H new ATOM 0 HA ILE A 106 1.198 -3.592 4.261 1.00 0.00 H new ATOM 0 HB ILE A 106 2.084 -2.648 7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.924 -5.188 7.403 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.844 -5.348 5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.075 -3.802 7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.361 -2.436 6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.471 -4.103 6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.133 -5.662 6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.025 -4.210 5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.106 -4.047 7.211 1.00 0.00 H new ATOM 1713 N ILE A 107 -0.134 -1.523 3.812 1.00 0.00 N ATOM 1714 CA ILE A 107 -1.020 -0.391 3.610 1.00 0.00 C ATOM 1715 C ILE A 107 -2.297 -0.527 4.442 1.00 0.00 C ATOM 1716 O ILE A 107 -3.156 -1.353 4.140 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.381 -0.249 2.129 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.103 -0.053 1.314 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.336 0.917 1.937 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.308 -0.179 -0.175 1.00 0.00 C ATOM 0 H ILE A 107 -0.224 -2.260 3.112 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.490 0.503 3.938 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.881 -1.154 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.310 0.932 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.637 -0.787 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.588 1.011 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.245 0.741 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.861 1.836 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.642 -0.028 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.691 -1.173 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.024 0.572 -0.509 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.420 0.297 5.481 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.585 0.256 6.366 1.00 0.00 C ATOM 1734 C CYS A 108 -4.536 1.425 6.113 1.00 0.00 C ATOM 1735 O CYS A 108 -4.112 2.571 6.017 1.00 0.00 O ATOM 1736 CB CYS A 108 -3.129 0.271 7.827 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.466 0.515 9.020 1.00 0.00 S ATOM 0 H CYS A 108 -1.727 1.002 5.732 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.127 -0.666 6.154 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.627 -0.671 8.049 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.392 1.063 7.957 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.518 -0.144 8.634 1.00 0.00 H new ATOM 1743 N THR A 109 -5.829 1.124 6.019 1.00 0.00 N ATOM 1744 CA THR A 109 -6.843 2.151 5.785 1.00 0.00 C ATOM 1745 C THR A 109 -6.947 3.103 6.973 1.00 0.00 C ATOM 1746 O THR A 109 -6.861 2.684 8.127 1.00 0.00 O ATOM 1747 CB THR A 109 -8.228 1.526 5.540 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.612 0.723 6.665 1.00 0.00 O ATOM 1749 CG2 THR A 109 -8.219 0.674 4.286 1.00 0.00 C ATOM 0 H THR A 109 -6.200 0.177 6.101 1.00 0.00 H new ATOM 0 HA THR A 109 -6.531 2.702 4.898 1.00 0.00 H new ATOM 0 HB THR A 109 -8.948 2.334 5.409 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.523 0.958 6.939 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.208 0.242 4.132 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.956 1.292 3.428 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.487 -0.126 4.395 1.00 0.00 H new ATOM 1757 N ASN A 110 -7.136 4.387 6.681 1.00 0.00 N ATOM 1758 CA ASN A 110 -7.263 5.400 7.725 1.00 0.00 C ATOM 1759 C ASN A 110 -8.457 6.308 7.455 1.00 0.00 C ATOM 1760 O ASN A 110 -9.468 6.245 8.154 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.988 6.237 7.814 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.900 7.012 9.117 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -6.911 7.458 9.658 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -4.686 7.168 9.633 1.00 0.00 N ATOM 0 H ASN A 110 -7.205 4.751 5.731 1.00 0.00 H new ATOM 0 HA ASN A 110 -7.420 4.888 8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -5.120 5.584 7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.953 6.933 6.976 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.566 7.674 10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.874 6.782 9.152 1.00 0.00 H new ATOM 1771 N THR A 111 -8.325 7.157 6.437 1.00 0.00 N ATOM 1772 CA THR A 111 -9.384 8.086 6.052 1.00 0.00 C ATOM 1773 C THR A 111 -9.877 8.907 7.242 1.00 0.00 C ATOM 1774 O THR A 111 -11.082 9.019 7.472 1.00 0.00 O ATOM 1775 CB THR A 111 -10.576 7.347 5.414 1.00 0.00 C ATOM 1776 OG1 THR A 111 -11.258 6.558 6.397 1.00 0.00 O ATOM 1777 CG2 THR A 111 -10.105 6.450 4.280 1.00 0.00 C ATOM 0 H THR A 111 -7.486 7.220 5.860 1.00 0.00 H new ATOM 0 HA THR A 111 -8.950 8.763 5.316 1.00 0.00 H new ATOM 0 HB THR A 111 -11.262 8.093 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.758 6.581 7.239 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.961 5.937 3.842 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.616 7.055 3.517 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.400 5.714 4.667 1.00 0.00 H new ATOM 1785 N ASN A 112 -8.935 9.479 7.990 1.00 0.00 N ATOM 1786 CA ASN A 112 -9.262 10.303 9.154 1.00 0.00 C ATOM 1787 C ASN A 112 -9.996 9.488 10.218 1.00 0.00 C ATOM 1788 O ASN A 112 -11.128 9.052 10.012 1.00 0.00 O ATOM 1789 CB ASN A 112 -10.114 11.503 8.730 1.00 0.00 C ATOM 1790 CG ASN A 112 -10.275 12.530 9.835 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -10.270 12.195 11.019 1.00 0.00 O ATOM 1792 ND2 ASN A 112 -10.421 13.792 9.448 1.00 0.00 N ATOM 0 H ASN A 112 -7.935 9.387 7.810 1.00 0.00 H new ATOM 0 HA ASN A 112 -8.328 10.663 9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.657 11.979 7.862 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.098 11.152 8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -10.535 14.529 10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.419 14.024 8.455 1.00 0.00 H new ATOM 1799 N VAL A 113 -9.343 9.292 11.360 1.00 0.00 N ATOM 1800 CA VAL A 113 -9.931 8.534 12.457 1.00 0.00 C ATOM 1801 C VAL A 113 -11.212 9.193 12.959 1.00 0.00 C ATOM 1802 O VAL A 113 -11.174 10.267 13.562 1.00 0.00 O ATOM 1803 CB VAL A 113 -8.945 8.389 13.634 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -9.535 7.510 14.726 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -7.616 7.827 13.150 1.00 0.00 C ATOM 0 H VAL A 113 -8.406 9.648 11.549 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.165 7.544 12.065 1.00 0.00 H new ATOM 0 HB VAL A 113 -8.766 9.378 14.055 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.823 7.421 15.546 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.458 7.957 15.094 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.747 6.520 14.321 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.932 7.731 13.994 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.777 6.847 12.701 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.185 8.500 12.408 1.00 0.00 H new ATOM 1815 N LYS A 114 -12.344 8.544 12.705 1.00 0.00 N ATOM 1816 CA LYS A 114 -13.639 9.065 13.130 1.00 0.00 C ATOM 1817 C LYS A 114 -14.382 8.044 13.985 1.00 0.00 C ATOM 1818 O LYS A 114 -14.471 8.186 15.204 1.00 0.00 O ATOM 1819 CB LYS A 114 -14.487 9.444 11.913 1.00 0.00 C ATOM 1820 CG LYS A 114 -13.978 10.668 11.169 1.00 0.00 C ATOM 1821 CD LYS A 114 -14.153 11.934 11.993 1.00 0.00 C ATOM 1822 CE LYS A 114 -13.697 13.165 11.229 1.00 0.00 C ATOM 1823 NZ LYS A 114 -13.897 14.413 12.016 1.00 0.00 N ATOM 0 H LYS A 114 -12.391 7.655 12.206 1.00 0.00 H new ATOM 0 HA LYS A 114 -13.463 9.957 13.732 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -14.517 8.599 11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -15.511 9.628 12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.924 10.534 10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -14.513 10.770 10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.201 12.045 12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.584 11.848 12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.643 13.063 10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.248 13.235 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.573 15.230 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.907 14.524 12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.351 14.358 12.899 1.00 0.00 H new ATOM 1837 N ASN A 115 -14.915 7.012 13.337 1.00 0.00 N ATOM 1838 CA ASN A 115 -15.653 5.967 14.037 1.00 0.00 C ATOM 1839 C ASN A 115 -15.472 4.617 13.352 1.00 0.00 C ATOM 1840 O ASN A 115 -15.619 3.568 13.978 1.00 0.00 O ATOM 1841 CB ASN A 115 -17.140 6.324 14.103 1.00 0.00 C ATOM 1842 CG ASN A 115 -17.952 5.291 14.859 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -17.452 4.640 15.776 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -19.214 5.135 14.477 1.00 0.00 N ATOM 0 H ASN A 115 -14.849 6.878 12.328 1.00 0.00 H new ATOM 0 HA ASN A 115 -15.257 5.893 15.050 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -17.256 7.295 14.584 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -17.533 6.420 13.091 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -19.809 4.454 14.949 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -19.588 5.696 13.712 1.00 0.00 H new ATOM 1851 N SER A 116 -15.151 4.653 12.062 1.00 0.00 N ATOM 1852 CA SER A 116 -14.948 3.431 11.291 1.00 0.00 C ATOM 1853 C SER A 116 -13.792 3.595 10.309 1.00 0.00 C ATOM 1854 O SER A 116 -13.535 4.694 9.816 1.00 0.00 O ATOM 1855 CB SER A 116 -16.225 3.063 10.533 1.00 0.00 C ATOM 1856 OG SER A 116 -17.319 2.909 11.422 1.00 0.00 O ATOM 0 H SER A 116 -15.026 5.514 11.529 1.00 0.00 H new ATOM 0 HA SER A 116 -14.702 2.629 11.987 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.453 3.838 9.801 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.069 2.137 9.979 1.00 0.00 H new ATOM 0 HG SER A 116 -18.123 2.676 10.913 1.00 0.00 H new ATOM 1862 N SER A 117 -13.099 2.495 10.031 1.00 0.00 N ATOM 1863 CA SER A 117 -11.972 2.516 9.107 1.00 0.00 C ATOM 1864 C SER A 117 -11.950 1.255 8.248 1.00 0.00 C ATOM 1865 O SER A 117 -11.032 0.440 8.344 1.00 0.00 O ATOM 1866 CB SER A 117 -10.657 2.648 9.879 1.00 0.00 C ATOM 1867 OG SER A 117 -10.629 3.842 10.640 1.00 0.00 O ATOM 0 H SER A 117 -13.299 1.579 10.432 1.00 0.00 H new ATOM 0 HA SER A 117 -12.087 3.378 8.450 1.00 0.00 H new ATOM 0 HB2 SER A 117 -10.532 1.790 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 117 -9.820 2.638 9.181 1.00 0.00 H new ATOM 0 HG SER A 117 -9.779 3.901 11.125 1.00 0.00 H new ATOM 1873 N GLN A 118 -12.967 1.102 7.407 1.00 0.00 N ATOM 1874 CA GLN A 118 -13.066 -0.059 6.529 1.00 0.00 C ATOM 1875 C GLN A 118 -13.767 0.302 5.224 1.00 0.00 C ATOM 1876 O GLN A 118 -14.956 0.619 5.210 1.00 0.00 O ATOM 1877 CB GLN A 118 -13.812 -1.197 7.230 1.00 0.00 C ATOM 1878 CG GLN A 118 -15.147 -0.781 7.829 1.00 0.00 C ATOM 1879 CD GLN A 118 -15.916 -1.953 8.408 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -15.776 -2.283 9.585 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -16.736 -2.590 7.578 1.00 0.00 N ATOM 0 H GLN A 118 -13.735 1.767 7.314 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.055 -0.391 6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -13.981 -2.002 6.515 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -13.180 -1.600 8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -14.976 -0.041 8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -15.751 -0.298 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -16.821 -2.282 6.609 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -17.280 -3.386 7.910 1.00 0.00 H new ATOM 1890 N GLU A 119 -13.018 0.259 4.127 1.00 0.00 N ATOM 1891 CA GLU A 119 -13.569 0.578 2.814 1.00 0.00 C ATOM 1892 C GLU A 119 -14.617 -0.452 2.401 1.00 0.00 C ATOM 1893 O GLU A 119 -14.232 -1.493 1.829 1.00 0.00 O ATOM 1894 CB GLU A 119 -12.452 0.640 1.771 1.00 0.00 C ATOM 1895 CG GLU A 119 -12.940 0.998 0.375 1.00 0.00 C ATOM 1896 CD GLU A 119 -13.744 2.282 0.351 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -13.139 3.364 0.500 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -14.979 2.207 0.184 1.00 0.00 O ATOM 1899 OXT GLU A 119 -15.816 -0.207 2.652 1.00 0.00 O ATOM 0 H GLU A 119 -12.030 0.007 4.121 1.00 0.00 H new ATOM 0 HA GLU A 119 -14.051 1.554 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.712 1.375 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.947 -0.325 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.083 1.098 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.552 0.183 -0.012 1.00 0.00 H new TER 1906 GLU A 119