USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 80 HIS HD1 : A 80 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 50 GLN : amide:sc= 0.0388 K(o=0.08,f=-1.8) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -126:sc= 0.0416 (180deg=0) USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.3) USER MOD Single : A 15 SER OG : rot 180:sc= -0.967 USER MOD Single : A 22 GLN : amide:sc= -2.11 K(o=-2.1,f=-7.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.7!) USER MOD Single : A 31 HIS : no HE2:sc= -0.881 K(o=-0.88,f=-4.2!) USER MOD Single : A 32 TYR OH : rot 169:sc= -0.465 USER MOD Single : A 35 MET CE :methyl -105:sc= -0.0653 (180deg=-2.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0.0227 (180deg=-0.06) USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= 0.149 (180deg=-0.32) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.55 K(o=-1.5,f=-3.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.49) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc=-0.00238 (180deg=-0.108) USER MOD Single : A 69 MET CE :methyl 138:sc= -0.383 (180deg=-1.71) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 15:sc= -0.974 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0541 X(o=-0.054,f=0) USER MOD Single : A 88 MET CE :methyl 146:sc= -0.704 (180deg=-2.03) USER MOD Single : A 89 LYS NZ :NH3+ -129:sc= 0.76 (180deg=-0.101) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0678 K(o=-0.068,f=-1.7!) USER MOD Single : A 97 LYS NZ :NH3+ -107:sc= -1.8! (180deg=-4.27!) USER MOD Single : A 99 LYS NZ :NH3+ 164:sc=-0.00251 (180deg=-0.136) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.391 4.058 -14.079 1.00 0.00 N ATOM 2 CA GLY A 1 -26.683 2.848 -13.332 1.00 0.00 C ATOM 3 C GLY A 1 -25.598 2.509 -12.330 1.00 0.00 C ATOM 4 O GLY A 1 -24.658 1.780 -12.645 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.163 4.246 -14.750 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.301 4.859 -13.421 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.500 3.937 -14.601 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.632 2.968 -12.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.805 2.017 -14.026 1.00 0.00 H new ATOM 8 N SER A 2 -25.726 3.041 -11.118 1.00 0.00 N ATOM 9 CA SER A 2 -24.746 2.796 -10.068 1.00 0.00 C ATOM 10 C SER A 2 -25.365 2.003 -8.921 1.00 0.00 C ATOM 11 O SER A 2 -26.570 2.077 -8.679 1.00 0.00 O ATOM 12 CB SER A 2 -24.186 4.119 -9.543 1.00 0.00 C ATOM 13 OG SER A 2 -25.162 4.826 -8.798 1.00 0.00 O ATOM 0 H SER A 2 -26.500 3.645 -10.840 1.00 0.00 H new ATOM 0 HA SER A 2 -23.933 2.210 -10.496 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.315 3.926 -8.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.848 4.732 -10.379 1.00 0.00 H new ATOM 0 HG SER A 2 -24.779 5.667 -8.472 1.00 0.00 H new ATOM 19 N SER A 3 -24.532 1.243 -8.217 1.00 0.00 N ATOM 20 CA SER A 3 -24.997 0.432 -7.098 1.00 0.00 C ATOM 21 C SER A 3 -25.658 1.303 -6.034 1.00 0.00 C ATOM 22 O SER A 3 -25.363 2.492 -5.918 1.00 0.00 O ATOM 23 CB SER A 3 -23.831 -0.346 -6.485 1.00 0.00 C ATOM 24 OG SER A 3 -22.810 0.531 -6.042 1.00 0.00 O ATOM 0 H SER A 3 -23.531 1.172 -8.402 1.00 0.00 H new ATOM 0 HA SER A 3 -25.737 -0.274 -7.475 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.189 -0.945 -5.647 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.425 -1.039 -7.222 1.00 0.00 H new ATOM 0 HG SER A 3 -22.077 0.010 -5.653 1.00 0.00 H new ATOM 30 N GLY A 4 -26.553 0.701 -5.257 1.00 0.00 N ATOM 31 CA GLY A 4 -27.242 1.436 -4.212 1.00 0.00 C ATOM 32 C GLY A 4 -26.521 1.364 -2.881 1.00 0.00 C ATOM 33 O GLY A 4 -27.106 0.972 -1.871 1.00 0.00 O ATOM 0 H GLY A 4 -26.813 -0.282 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.342 2.479 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.251 1.039 -4.097 1.00 0.00 H new ATOM 37 N SER A 5 -25.247 1.741 -2.878 1.00 0.00 N ATOM 38 CA SER A 5 -24.443 1.712 -1.662 1.00 0.00 C ATOM 39 C SER A 5 -24.203 3.124 -1.136 1.00 0.00 C ATOM 40 O SER A 5 -24.453 3.414 0.034 1.00 0.00 O ATOM 41 CB SER A 5 -23.105 1.020 -1.926 1.00 0.00 C ATOM 42 OG SER A 5 -23.298 -0.257 -2.511 1.00 0.00 O ATOM 0 H SER A 5 -24.749 2.070 -3.705 1.00 0.00 H new ATOM 0 HA SER A 5 -24.992 1.150 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.496 1.638 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.555 0.916 -0.991 1.00 0.00 H new ATOM 0 HG SER A 5 -22.428 -0.678 -2.672 1.00 0.00 H new ATOM 48 N SER A 6 -23.716 3.999 -2.009 1.00 0.00 N ATOM 49 CA SER A 6 -23.437 5.381 -1.634 1.00 0.00 C ATOM 50 C SER A 6 -22.542 5.438 -0.400 1.00 0.00 C ATOM 51 O SER A 6 -22.802 6.194 0.535 1.00 0.00 O ATOM 52 CB SER A 6 -24.743 6.132 -1.366 1.00 0.00 C ATOM 53 OG SER A 6 -25.303 6.626 -2.570 1.00 0.00 O ATOM 0 H SER A 6 -23.506 3.776 -2.982 1.00 0.00 H new ATOM 0 HA SER A 6 -22.915 5.859 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.455 5.467 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.557 6.960 -0.682 1.00 0.00 H new ATOM 0 HG SER A 6 -26.137 7.100 -2.372 1.00 0.00 H new ATOM 59 N GLY A 7 -21.485 4.631 -0.405 1.00 0.00 N ATOM 60 CA GLY A 7 -20.567 4.604 0.719 1.00 0.00 C ATOM 61 C GLY A 7 -19.336 3.764 0.441 1.00 0.00 C ATOM 62 O GLY A 7 -19.426 2.702 -0.175 1.00 0.00 O ATOM 0 H GLY A 7 -21.248 3.996 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.262 5.622 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.082 4.210 1.595 1.00 0.00 H new ATOM 66 N ALA A 8 -18.181 4.241 0.895 1.00 0.00 N ATOM 67 CA ALA A 8 -16.927 3.526 0.693 1.00 0.00 C ATOM 68 C ALA A 8 -16.420 2.927 2.000 1.00 0.00 C ATOM 69 O ALA A 8 -15.863 3.631 2.842 1.00 0.00 O ATOM 70 CB ALA A 8 -15.881 4.455 0.095 1.00 0.00 C ATOM 0 H ALA A 8 -18.088 5.119 1.405 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.112 2.708 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.949 3.908 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.235 4.831 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.708 5.292 0.772 1.00 0.00 H new ATOM 76 N ASN A 9 -16.616 1.622 2.163 1.00 0.00 N ATOM 77 CA ASN A 9 -16.179 0.929 3.369 1.00 0.00 C ATOM 78 C ASN A 9 -14.902 0.135 3.108 1.00 0.00 C ATOM 79 O ASN A 9 -14.454 0.018 1.967 1.00 0.00 O ATOM 80 CB ASN A 9 -17.280 -0.007 3.872 1.00 0.00 C ATOM 81 CG ASN A 9 -18.669 0.557 3.639 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.869 1.771 3.661 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.635 -0.325 3.413 1.00 0.00 N ATOM 0 H ASN A 9 -17.074 1.024 1.475 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.971 1.678 4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.193 -0.970 3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.139 -0.190 4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.589 -0.005 3.248 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.423 -1.323 3.404 1.00 0.00 H new ATOM 90 N CYS A 10 -14.322 -0.409 4.172 1.00 0.00 N ATOM 91 CA CYS A 10 -13.098 -1.192 4.059 1.00 0.00 C ATOM 92 C CYS A 10 -13.229 -2.253 2.970 1.00 0.00 C ATOM 93 O CYS A 10 -14.257 -2.920 2.860 1.00 0.00 O ATOM 94 CB CYS A 10 -12.768 -1.857 5.397 1.00 0.00 C ATOM 95 SG CYS A 10 -10.985 -2.094 5.690 1.00 0.00 S ATOM 0 H CYS A 10 -14.680 -0.322 5.123 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.288 -0.516 3.787 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.180 -1.251 6.203 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.265 -2.826 5.441 1.00 0.00 H new ATOM 100 N ALA A 11 -12.179 -2.404 2.169 1.00 0.00 N ATOM 101 CA ALA A 11 -12.176 -3.385 1.091 1.00 0.00 C ATOM 102 C ALA A 11 -11.650 -4.731 1.576 1.00 0.00 C ATOM 103 O ALA A 11 -11.472 -5.660 0.787 1.00 0.00 O ATOM 104 CB ALA A 11 -11.343 -2.880 -0.078 1.00 0.00 C ATOM 0 H ALA A 11 -11.320 -1.860 2.246 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.204 -3.526 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.349 -3.622 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.764 -1.945 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.318 -2.710 0.252 1.00 0.00 H new ATOM 110 N VAL A 12 -11.401 -4.831 2.878 1.00 0.00 N ATOM 111 CA VAL A 12 -10.896 -6.065 3.468 1.00 0.00 C ATOM 112 C VAL A 12 -11.849 -6.595 4.533 1.00 0.00 C ATOM 113 O VAL A 12 -12.092 -7.799 4.620 1.00 0.00 O ATOM 114 CB VAL A 12 -9.505 -5.857 4.096 1.00 0.00 C ATOM 115 CG1 VAL A 12 -8.415 -6.024 3.048 1.00 0.00 C ATOM 116 CG2 VAL A 12 -9.417 -4.489 4.756 1.00 0.00 C ATOM 0 H VAL A 12 -11.541 -4.072 3.545 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.817 -6.794 2.661 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.356 -6.616 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.440 -5.873 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.466 -7.028 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.558 -5.290 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.427 -4.359 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.588 -3.713 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.173 -4.413 5.538 1.00 0.00 H new ATOM 126 N CYS A 13 -12.387 -5.689 5.342 1.00 0.00 N ATOM 127 CA CYS A 13 -13.314 -6.064 6.402 1.00 0.00 C ATOM 128 C CYS A 13 -14.742 -5.662 6.044 1.00 0.00 C ATOM 129 O CYS A 13 -15.704 -6.178 6.612 1.00 0.00 O ATOM 130 CB CYS A 13 -12.904 -5.408 7.723 1.00 0.00 C ATOM 131 SG CYS A 13 -13.422 -3.669 7.882 1.00 0.00 S ATOM 0 H CYS A 13 -12.196 -4.689 5.283 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.278 -7.148 6.515 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.330 -5.980 8.548 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -11.820 -5.464 7.823 1.00 0.00 H new ATOM 136 N ASP A 14 -14.870 -4.737 5.099 1.00 0.00 N ATOM 137 CA ASP A 14 -16.180 -4.266 4.664 1.00 0.00 C ATOM 138 C ASP A 14 -16.936 -3.617 5.819 1.00 0.00 C ATOM 139 O ASP A 14 -18.132 -3.844 5.996 1.00 0.00 O ATOM 140 CB ASP A 14 -16.997 -5.424 4.089 1.00 0.00 C ATOM 141 CG ASP A 14 -16.252 -6.177 3.005 1.00 0.00 C ATOM 142 OD1 ASP A 14 -16.112 -5.630 1.891 1.00 0.00 O ATOM 143 OD2 ASP A 14 -15.807 -7.313 3.271 1.00 0.00 O ATOM 0 H ASP A 14 -14.083 -4.299 4.620 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.029 -3.517 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.259 -6.113 4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.932 -5.038 3.682 1.00 0.00 H new ATOM 148 N SER A 15 -16.229 -2.809 6.602 1.00 0.00 N ATOM 149 CA SER A 15 -16.832 -2.131 7.744 1.00 0.00 C ATOM 150 C SER A 15 -16.540 -0.634 7.703 1.00 0.00 C ATOM 151 O SER A 15 -15.464 -0.196 7.293 1.00 0.00 O ATOM 152 CB SER A 15 -16.311 -2.728 9.052 1.00 0.00 C ATOM 153 OG SER A 15 -17.287 -2.643 10.076 1.00 0.00 O ATOM 0 H SER A 15 -15.238 -2.608 6.467 1.00 0.00 H new ATOM 0 HA SER A 15 -17.911 -2.275 7.692 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.034 -3.770 8.895 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.408 -2.202 9.361 1.00 0.00 H new ATOM 0 HG SER A 15 -16.930 -3.033 10.901 1.00 0.00 H new ATOM 159 N PRO A 16 -17.520 0.171 8.138 1.00 0.00 N ATOM 160 CA PRO A 16 -17.393 1.632 8.161 1.00 0.00 C ATOM 161 C PRO A 16 -16.400 2.110 9.215 1.00 0.00 C ATOM 162 O PRO A 16 -15.526 2.928 8.932 1.00 0.00 O ATOM 163 CB PRO A 16 -18.807 2.105 8.506 1.00 0.00 C ATOM 164 CG PRO A 16 -19.421 0.963 9.240 1.00 0.00 C ATOM 165 CD PRO A 16 -18.828 -0.281 8.640 1.00 0.00 C ATOM 0 HA PRO A 16 -17.016 2.024 7.216 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.784 3.004 9.121 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.373 2.348 7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.205 1.023 10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.506 0.969 9.134 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.722 -1.073 9.381 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.451 -0.676 7.838 1.00 0.00 H new ATOM 173 N GLY A 17 -16.540 1.593 10.432 1.00 0.00 N ATOM 174 CA GLY A 17 -15.648 1.979 11.509 1.00 0.00 C ATOM 175 C GLY A 17 -15.240 3.437 11.430 1.00 0.00 C ATOM 176 O GLY A 17 -16.082 4.314 11.237 1.00 0.00 O ATOM 0 H GLY A 17 -17.255 0.914 10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.137 1.793 12.465 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.756 1.353 11.480 1.00 0.00 H new ATOM 180 N ASP A 18 -13.946 3.697 11.582 1.00 0.00 N ATOM 181 CA ASP A 18 -13.429 5.059 11.527 1.00 0.00 C ATOM 182 C ASP A 18 -12.979 5.414 10.113 1.00 0.00 C ATOM 183 O ASP A 18 -12.190 4.692 9.501 1.00 0.00 O ATOM 184 CB ASP A 18 -12.262 5.224 12.502 1.00 0.00 C ATOM 185 CG ASP A 18 -12.727 5.465 13.925 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.336 4.548 14.514 1.00 0.00 O ATOM 187 OD2 ASP A 18 -12.481 6.571 14.450 1.00 0.00 O ATOM 0 H ASP A 18 -13.236 2.983 11.744 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.232 5.737 11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.639 4.330 12.473 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.638 6.058 12.180 1.00 0.00 H new ATOM 192 N LEU A 19 -13.488 6.528 9.598 1.00 0.00 N ATOM 193 CA LEU A 19 -13.140 6.978 8.255 1.00 0.00 C ATOM 194 C LEU A 19 -11.753 7.614 8.235 1.00 0.00 C ATOM 195 O LEU A 19 -10.974 7.401 7.305 1.00 0.00 O ATOM 196 CB LEU A 19 -14.179 7.979 7.746 1.00 0.00 C ATOM 197 CG LEU A 19 -15.436 7.378 7.116 1.00 0.00 C ATOM 198 CD1 LEU A 19 -15.093 6.654 5.824 1.00 0.00 C ATOM 199 CD2 LEU A 19 -16.123 6.434 8.092 1.00 0.00 C ATOM 0 H LEU A 19 -14.143 7.136 10.090 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.130 6.108 7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.482 8.613 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.701 8.626 7.010 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.124 8.190 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.000 6.233 5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.647 7.357 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.385 5.852 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.015 6.016 7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.441 5.627 8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.406 6.982 8.991 1.00 0.00 H new ATOM 211 N LEU A 20 -11.450 8.392 9.268 1.00 0.00 N ATOM 212 CA LEU A 20 -10.156 9.057 9.372 1.00 0.00 C ATOM 213 C LEU A 20 -9.047 8.049 9.652 1.00 0.00 C ATOM 214 O LEU A 20 -7.913 8.218 9.204 1.00 0.00 O ATOM 215 CB LEU A 20 -10.191 10.114 10.477 1.00 0.00 C ATOM 216 CG LEU A 20 -11.167 11.272 10.268 1.00 0.00 C ATOM 217 CD1 LEU A 20 -11.321 12.079 11.547 1.00 0.00 C ATOM 218 CD2 LEU A 20 -10.701 12.164 9.126 1.00 0.00 C ATOM 0 H LEU A 20 -12.083 8.578 10.046 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.948 9.543 8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.440 9.620 11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.188 10.526 10.590 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.140 10.857 10.005 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.019 12.899 11.378 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.702 11.435 12.340 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.352 12.483 11.841 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.408 12.983 8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.716 12.569 9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.644 11.580 8.208 1.00 0.00 H new ATOM 230 N ASP A 21 -9.382 6.999 10.394 1.00 0.00 N ATOM 231 CA ASP A 21 -8.415 5.961 10.732 1.00 0.00 C ATOM 232 C ASP A 21 -7.916 5.254 9.475 1.00 0.00 C ATOM 233 O ASP A 21 -6.711 5.121 9.265 1.00 0.00 O ATOM 234 CB ASP A 21 -9.039 4.945 11.690 1.00 0.00 C ATOM 235 CG ASP A 21 -9.410 5.560 13.025 1.00 0.00 C ATOM 236 OD1 ASP A 21 -9.737 6.765 13.052 1.00 0.00 O ATOM 237 OD2 ASP A 21 -9.372 4.837 14.043 1.00 0.00 O ATOM 0 H ASP A 21 -10.316 6.844 10.773 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.565 6.436 11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.930 4.516 11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.339 4.126 11.853 1.00 0.00 H new ATOM 242 N GLN A 22 -8.851 4.803 8.645 1.00 0.00 N ATOM 243 CA GLN A 22 -8.505 4.109 7.411 1.00 0.00 C ATOM 244 C GLN A 22 -8.004 5.090 6.356 1.00 0.00 C ATOM 245 O GLN A 22 -8.579 6.162 6.168 1.00 0.00 O ATOM 246 CB GLN A 22 -9.715 3.341 6.876 1.00 0.00 C ATOM 247 CG GLN A 22 -10.931 4.219 6.628 1.00 0.00 C ATOM 248 CD GLN A 22 -12.235 3.451 6.724 1.00 0.00 C ATOM 249 OE1 GLN A 22 -13.221 3.946 7.271 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.247 2.235 6.191 1.00 0.00 N ATOM 0 H GLN A 22 -9.853 4.906 8.805 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.705 3.403 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.438 2.846 5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.981 2.558 7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.940 5.034 7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.852 4.671 5.639 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.407 1.864 5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.097 1.672 6.225 1.00 0.00 H new ATOM 259 N PHE A 23 -6.929 4.716 5.670 1.00 0.00 N ATOM 260 CA PHE A 23 -6.349 5.564 4.635 1.00 0.00 C ATOM 261 C PHE A 23 -7.216 5.559 3.380 1.00 0.00 C ATOM 262 O PHE A 23 -8.004 4.639 3.159 1.00 0.00 O ATOM 263 CB PHE A 23 -4.934 5.092 4.293 1.00 0.00 C ATOM 264 CG PHE A 23 -3.991 5.132 5.461 1.00 0.00 C ATOM 265 CD1 PHE A 23 -4.000 4.122 6.410 1.00 0.00 C ATOM 266 CD2 PHE A 23 -3.094 6.177 5.609 1.00 0.00 C ATOM 267 CE1 PHE A 23 -3.133 4.156 7.486 1.00 0.00 C ATOM 268 CE2 PHE A 23 -2.224 6.217 6.683 1.00 0.00 C ATOM 269 CZ PHE A 23 -2.243 5.204 7.622 1.00 0.00 C ATOM 0 H PHE A 23 -6.442 3.831 5.812 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.302 6.583 5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.982 4.073 3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.535 5.715 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.692 3.299 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.074 6.970 4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.151 3.364 8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.531 7.039 6.788 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.563 5.231 8.461 1.00 0.00 H new ATOM 279 N PHE A 24 -7.066 6.594 2.560 1.00 0.00 N ATOM 280 CA PHE A 24 -7.836 6.711 1.327 1.00 0.00 C ATOM 281 C PHE A 24 -6.913 6.783 0.114 1.00 0.00 C ATOM 282 O PHE A 24 -6.381 7.844 -0.213 1.00 0.00 O ATOM 283 CB PHE A 24 -8.731 7.952 1.376 1.00 0.00 C ATOM 284 CG PHE A 24 -9.138 8.450 0.019 1.00 0.00 C ATOM 285 CD1 PHE A 24 -10.244 7.920 -0.626 1.00 0.00 C ATOM 286 CD2 PHE A 24 -8.415 9.449 -0.613 1.00 0.00 C ATOM 287 CE1 PHE A 24 -10.622 8.377 -1.875 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.788 9.910 -1.861 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.892 9.373 -2.493 1.00 0.00 C ATOM 0 H PHE A 24 -6.418 7.364 2.727 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.462 5.823 1.233 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.626 7.722 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.206 8.748 1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.818 7.140 -0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.550 9.872 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -11.487 7.956 -2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.216 10.690 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.184 9.731 -3.469 1.00 0.00 H new ATOM 299 N CYS A 25 -6.728 5.647 -0.548 1.00 0.00 N ATOM 300 CA CYS A 25 -5.869 5.578 -1.724 1.00 0.00 C ATOM 301 C CYS A 25 -6.159 6.734 -2.678 1.00 0.00 C ATOM 302 O CYS A 25 -7.263 7.279 -2.694 1.00 0.00 O ATOM 303 CB CYS A 25 -6.065 4.244 -2.448 1.00 0.00 C ATOM 304 SG CYS A 25 -4.858 3.935 -3.778 1.00 0.00 S ATOM 0 H CYS A 25 -7.162 4.760 -0.290 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.834 5.655 -1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.002 3.435 -1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.070 4.216 -2.870 1.00 0.00 H new ATOM 309 N THR A 26 -5.159 7.103 -3.473 1.00 0.00 N ATOM 310 CA THR A 26 -5.306 8.193 -4.429 1.00 0.00 C ATOM 311 C THR A 26 -5.517 7.661 -5.842 1.00 0.00 C ATOM 312 O THR A 26 -6.158 8.308 -6.671 1.00 0.00 O ATOM 313 CB THR A 26 -4.074 9.117 -4.420 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.880 8.345 -4.591 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.995 9.901 -3.118 1.00 0.00 C ATOM 0 H THR A 26 -4.239 6.663 -3.473 1.00 0.00 H new ATOM 0 HA THR A 26 -6.183 8.764 -4.124 1.00 0.00 H new ATOM 0 HB THR A 26 -4.171 9.822 -5.245 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.102 8.941 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.117 10.547 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.892 10.511 -3.005 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.920 9.208 -2.280 1.00 0.00 H new ATOM 323 N THR A 27 -4.975 6.477 -6.111 1.00 0.00 N ATOM 324 CA THR A 27 -5.104 5.858 -7.424 1.00 0.00 C ATOM 325 C THR A 27 -6.511 5.314 -7.640 1.00 0.00 C ATOM 326 O THR A 27 -7.251 5.799 -8.497 1.00 0.00 O ATOM 327 CB THR A 27 -4.089 4.714 -7.608 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.754 5.226 -7.536 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.299 4.014 -8.942 1.00 0.00 C ATOM 0 H THR A 27 -4.442 5.928 -5.436 1.00 0.00 H new ATOM 0 HA THR A 27 -4.901 6.635 -8.161 1.00 0.00 H new ATOM 0 HB THR A 27 -4.242 3.990 -6.808 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.115 4.492 -7.652 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.571 3.210 -9.050 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.306 3.599 -8.981 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.171 4.731 -9.753 1.00 0.00 H new ATOM 337 N CYS A 28 -6.877 4.305 -6.857 1.00 0.00 N ATOM 338 CA CYS A 28 -8.196 3.694 -6.962 1.00 0.00 C ATOM 339 C CYS A 28 -9.222 4.472 -6.143 1.00 0.00 C ATOM 340 O CYS A 28 -10.361 4.658 -6.570 1.00 0.00 O ATOM 341 CB CYS A 28 -8.147 2.240 -6.490 1.00 0.00 C ATOM 342 SG CYS A 28 -7.828 2.047 -4.707 1.00 0.00 S ATOM 0 H CYS A 28 -6.278 3.893 -6.142 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.498 3.719 -8.009 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.094 1.758 -6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.370 1.715 -7.046 1.00 0.00 H new ATOM 347 N GLY A 29 -8.809 4.925 -4.963 1.00 0.00 N ATOM 348 CA GLY A 29 -9.703 5.677 -4.103 1.00 0.00 C ATOM 349 C GLY A 29 -10.485 4.786 -3.158 1.00 0.00 C ATOM 350 O GLY A 29 -11.678 4.997 -2.942 1.00 0.00 O ATOM 0 H GLY A 29 -7.871 4.784 -4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.125 6.397 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.399 6.248 -4.718 1.00 0.00 H new ATOM 354 N GLN A 30 -9.812 3.788 -2.595 1.00 0.00 N ATOM 355 CA GLN A 30 -10.453 2.861 -1.670 1.00 0.00 C ATOM 356 C GLN A 30 -10.087 3.191 -0.227 1.00 0.00 C ATOM 357 O GLN A 30 -9.210 4.018 0.028 1.00 0.00 O ATOM 358 CB GLN A 30 -10.047 1.422 -1.995 1.00 0.00 C ATOM 359 CG GLN A 30 -10.896 0.781 -3.081 1.00 0.00 C ATOM 360 CD GLN A 30 -12.084 0.023 -2.522 1.00 0.00 C ATOM 361 OE1 GLN A 30 -12.133 -1.206 -2.578 1.00 0.00 O ATOM 362 NE2 GLN A 30 -13.051 0.755 -1.979 1.00 0.00 N ATOM 0 H GLN A 30 -8.824 3.601 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.532 2.962 -1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.003 1.410 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.116 0.820 -1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.251 1.554 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.278 0.100 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.968 1.771 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.876 0.301 -1.587 1.00 0.00 H new ATOM 371 N HIS A 31 -10.764 2.541 0.714 1.00 0.00 N ATOM 372 CA HIS A 31 -10.510 2.766 2.132 1.00 0.00 C ATOM 373 C HIS A 31 -9.991 1.496 2.799 1.00 0.00 C ATOM 374 O HIS A 31 -10.464 0.396 2.515 1.00 0.00 O ATOM 375 CB HIS A 31 -11.785 3.239 2.832 1.00 0.00 C ATOM 376 CG HIS A 31 -12.296 4.551 2.322 1.00 0.00 C ATOM 377 ND1 HIS A 31 -13.564 5.021 2.593 1.00 0.00 N ATOM 378 CD2 HIS A 31 -11.702 5.496 1.556 1.00 0.00 C ATOM 379 CE1 HIS A 31 -13.728 6.197 2.013 1.00 0.00 C ATOM 380 NE2 HIS A 31 -12.613 6.508 1.378 1.00 0.00 N ATOM 0 H HIS A 31 -11.493 1.854 0.520 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.748 3.540 2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.560 2.483 2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.592 3.324 3.901 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -14.265 4.537 3.153 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.698 5.461 1.159 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.622 6.801 2.052 1.00 0.00 H new ATOM 389 N TYR A 32 -9.015 1.656 3.687 1.00 0.00 N ATOM 390 CA TYR A 32 -8.429 0.522 4.392 1.00 0.00 C ATOM 391 C TYR A 32 -8.032 0.910 5.813 1.00 0.00 C ATOM 392 O TYR A 32 -7.326 1.896 6.025 1.00 0.00 O ATOM 393 CB TYR A 32 -7.208 -0.001 3.633 1.00 0.00 C ATOM 394 CG TYR A 32 -7.511 -0.421 2.213 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.473 0.498 1.172 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.836 -1.739 1.912 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.750 0.118 -0.127 1.00 0.00 C ATOM 398 CE2 TYR A 32 -8.113 -2.127 0.616 1.00 0.00 C ATOM 399 CZ TYR A 32 -8.069 -1.195 -0.400 1.00 0.00 C ATOM 400 OH TYR A 32 -8.345 -1.578 -1.693 1.00 0.00 O ATOM 0 H TYR A 32 -8.613 2.560 3.935 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.179 -0.267 4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.441 0.773 3.618 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.792 -0.851 4.173 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.223 1.527 1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.872 -2.471 2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.717 0.846 -0.924 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.363 -3.155 0.399 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.375 -2.556 -1.745 1.00 0.00 H new ATOM 410 N HIS A 33 -8.491 0.126 6.783 1.00 0.00 N ATOM 411 CA HIS A 33 -8.183 0.386 8.185 1.00 0.00 C ATOM 412 C HIS A 33 -6.712 0.106 8.479 1.00 0.00 C ATOM 413 O HIS A 33 -6.059 -0.650 7.763 1.00 0.00 O ATOM 414 CB HIS A 33 -9.068 -0.472 9.090 1.00 0.00 C ATOM 415 CG HIS A 33 -10.500 -0.034 9.117 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.556 -0.902 8.934 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.049 1.188 9.308 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.692 -0.232 9.010 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.412 1.039 9.237 1.00 0.00 N ATOM 0 H HIS A 33 -9.077 -0.694 6.624 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.382 1.439 8.386 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.020 -1.508 8.755 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.670 -0.446 10.104 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.514 2.110 9.484 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.681 -0.652 8.904 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.097 1.788 9.342 1.00 0.00 H new ATOM 427 N GLY A 34 -6.198 0.724 9.539 1.00 0.00 N ATOM 428 CA GLY A 34 -4.808 0.529 9.908 1.00 0.00 C ATOM 429 C GLY A 34 -4.541 -0.862 10.448 1.00 0.00 C ATOM 430 O GLY A 34 -3.399 -1.321 10.459 1.00 0.00 O ATOM 0 H GLY A 34 -6.719 1.355 10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.176 0.705 9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.528 1.267 10.660 1.00 0.00 H new ATOM 434 N MET A 35 -5.595 -1.533 10.897 1.00 0.00 N ATOM 435 CA MET A 35 -5.468 -2.880 11.441 1.00 0.00 C ATOM 436 C MET A 35 -5.696 -3.928 10.357 1.00 0.00 C ATOM 437 O MET A 35 -4.921 -4.877 10.223 1.00 0.00 O ATOM 438 CB MET A 35 -6.464 -3.088 12.584 1.00 0.00 C ATOM 439 CG MET A 35 -5.907 -2.721 13.950 1.00 0.00 C ATOM 440 SD MET A 35 -5.882 -0.940 14.234 1.00 0.00 S ATOM 441 CE MET A 35 -4.180 -0.556 13.829 1.00 0.00 C ATOM 0 H MET A 35 -6.547 -1.167 10.895 1.00 0.00 H new ATOM 0 HA MET A 35 -4.455 -2.995 11.826 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.355 -2.491 12.392 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.777 -4.132 12.597 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.507 -3.200 14.724 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.895 -3.114 14.043 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.619 -0.376 14.746 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.736 -1.394 13.291 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.147 0.336 13.203 1.00 0.00 H new ATOM 451 N CYS A 36 -6.762 -3.752 9.583 1.00 0.00 N ATOM 452 CA CYS A 36 -7.092 -4.682 8.511 1.00 0.00 C ATOM 453 C CYS A 36 -5.925 -4.827 7.538 1.00 0.00 C ATOM 454 O CYS A 36 -5.861 -5.785 6.766 1.00 0.00 O ATOM 455 CB CYS A 36 -8.339 -4.208 7.761 1.00 0.00 C ATOM 456 SG CYS A 36 -9.837 -4.116 8.794 1.00 0.00 S ATOM 0 H CYS A 36 -7.413 -2.972 9.679 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.293 -5.655 8.958 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.142 -3.224 7.336 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.527 -4.884 6.926 1.00 0.00 H new ATOM 461 N LEU A 37 -5.004 -3.871 7.581 1.00 0.00 N ATOM 462 CA LEU A 37 -3.838 -3.891 6.705 1.00 0.00 C ATOM 463 C LEU A 37 -2.551 -4.014 7.513 1.00 0.00 C ATOM 464 O LEU A 37 -1.459 -4.103 6.951 1.00 0.00 O ATOM 465 CB LEU A 37 -3.798 -2.625 5.848 1.00 0.00 C ATOM 466 CG LEU A 37 -4.821 -2.548 4.715 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.322 -3.302 3.492 1.00 0.00 C ATOM 468 CD2 LEU A 37 -6.165 -3.097 5.171 1.00 0.00 C ATOM 0 H LEU A 37 -5.042 -3.072 8.214 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.919 -4.761 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.943 -1.764 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.801 -2.534 5.417 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.953 -1.501 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.064 -3.236 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.384 -2.863 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.160 -4.348 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.881 -3.034 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.049 -4.138 5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.529 -2.513 6.016 1.00 0.00 H new ATOM 480 N ASP A 38 -2.687 -4.018 8.835 1.00 0.00 N ATOM 481 CA ASP A 38 -1.535 -4.133 9.721 1.00 0.00 C ATOM 482 C ASP A 38 -0.593 -2.946 9.546 1.00 0.00 C ATOM 483 O ASP A 38 0.626 -3.087 9.649 1.00 0.00 O ATOM 484 CB ASP A 38 -0.785 -5.438 9.452 1.00 0.00 C ATOM 485 CG ASP A 38 -1.649 -6.662 9.686 1.00 0.00 C ATOM 486 OD1 ASP A 38 -2.451 -6.647 10.643 1.00 0.00 O ATOM 487 OD2 ASP A 38 -1.523 -7.633 8.912 1.00 0.00 O ATOM 0 H ASP A 38 -3.583 -3.943 9.316 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.899 -4.137 10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.426 -5.442 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.093 -5.488 10.096 1.00 0.00 H new ATOM 492 N ILE A 39 -1.167 -1.777 9.280 1.00 0.00 N ATOM 493 CA ILE A 39 -0.379 -0.565 9.090 1.00 0.00 C ATOM 494 C ILE A 39 -0.389 0.299 10.346 1.00 0.00 C ATOM 495 O ILE A 39 -1.413 0.423 11.018 1.00 0.00 O ATOM 496 CB ILE A 39 -0.901 0.266 7.903 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.971 -0.596 6.640 1.00 0.00 C ATOM 498 CG2 ILE A 39 -0.013 1.479 7.675 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.596 0.113 5.459 1.00 0.00 C ATOM 0 H ILE A 39 -2.174 -1.644 9.191 1.00 0.00 H new ATOM 0 HA ILE A 39 0.642 -0.882 8.879 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.907 0.616 8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.036 -0.915 6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.543 -1.498 6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.395 2.056 6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.010 2.101 8.570 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.003 1.150 7.458 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.613 -0.557 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.615 0.408 5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.011 1.000 5.216 1.00 0.00 H new ATOM 511 N ALA A 40 0.756 0.898 10.655 1.00 0.00 N ATOM 512 CA ALA A 40 0.878 1.755 11.827 1.00 0.00 C ATOM 513 C ALA A 40 0.604 3.213 11.473 1.00 0.00 C ATOM 514 O ALA A 40 1.459 3.897 10.910 1.00 0.00 O ATOM 515 CB ALA A 40 2.261 1.611 12.445 1.00 0.00 C ATOM 0 H ALA A 40 1.613 0.805 10.109 1.00 0.00 H new ATOM 0 HA ALA A 40 0.132 1.439 12.556 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.338 2.257 13.320 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.420 0.575 12.744 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.018 1.898 11.715 1.00 0.00 H new ATOM 521 N VAL A 41 -0.595 3.683 11.805 1.00 0.00 N ATOM 522 CA VAL A 41 -0.981 5.060 11.522 1.00 0.00 C ATOM 523 C VAL A 41 0.133 6.031 11.894 1.00 0.00 C ATOM 524 O VAL A 41 0.347 6.327 13.070 1.00 0.00 O ATOM 525 CB VAL A 41 -2.263 5.450 12.281 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.583 6.922 12.068 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.428 4.575 11.845 1.00 0.00 C ATOM 0 H VAL A 41 -1.315 3.130 12.270 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.169 5.122 10.450 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.096 5.289 13.346 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.492 7.179 12.612 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.756 7.531 12.434 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.730 7.112 11.005 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.325 4.865 12.392 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.598 4.702 10.776 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.197 3.531 12.055 1.00 0.00 H new ATOM 537 N THR A 42 0.841 6.526 10.884 1.00 0.00 N ATOM 538 CA THR A 42 1.935 7.464 11.105 1.00 0.00 C ATOM 539 C THR A 42 1.711 8.761 10.335 1.00 0.00 C ATOM 540 O THR A 42 1.030 8.793 9.309 1.00 0.00 O ATOM 541 CB THR A 42 3.288 6.859 10.685 1.00 0.00 C ATOM 542 OG1 THR A 42 3.202 6.345 9.351 1.00 0.00 O ATOM 543 CG2 THR A 42 3.701 5.746 11.637 1.00 0.00 C ATOM 0 H THR A 42 0.677 6.293 9.905 1.00 0.00 H new ATOM 0 HA THR A 42 1.957 7.677 12.174 1.00 0.00 H new ATOM 0 HB THR A 42 4.041 7.646 10.722 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.066 5.964 9.091 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.659 5.334 11.321 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.794 6.146 12.647 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.946 4.960 11.627 1.00 0.00 H new ATOM 551 N PRO A 43 2.296 9.858 10.839 1.00 0.00 N ATOM 552 CA PRO A 43 2.175 11.178 10.213 1.00 0.00 C ATOM 553 C PRO A 43 2.929 11.264 8.890 1.00 0.00 C ATOM 554 O PRO A 43 2.971 12.318 8.255 1.00 0.00 O ATOM 555 CB PRO A 43 2.799 12.119 11.246 1.00 0.00 C ATOM 556 CG PRO A 43 3.742 11.262 12.018 1.00 0.00 C ATOM 557 CD PRO A 43 3.121 9.894 12.058 1.00 0.00 C ATOM 0 HA PRO A 43 1.141 11.419 9.967 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.320 12.946 10.764 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.039 12.555 11.894 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.722 11.232 11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.890 11.653 13.025 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.877 9.109 12.055 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.519 9.752 12.955 1.00 0.00 H new ATOM 565 N LEU A 44 3.524 10.149 8.481 1.00 0.00 N ATOM 566 CA LEU A 44 4.277 10.098 7.232 1.00 0.00 C ATOM 567 C LEU A 44 3.491 9.362 6.152 1.00 0.00 C ATOM 568 O LEU A 44 3.505 9.752 4.984 1.00 0.00 O ATOM 569 CB LEU A 44 5.626 9.411 7.455 1.00 0.00 C ATOM 570 CG LEU A 44 6.450 9.127 6.199 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.197 10.376 5.757 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.421 7.982 6.446 1.00 0.00 C ATOM 0 H LEU A 44 3.500 9.268 8.995 1.00 0.00 H new ATOM 0 HA LEU A 44 4.448 11.121 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.222 10.033 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.450 8.467 7.971 1.00 0.00 H new ATOM 0 HG LEU A 44 5.769 8.834 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.778 10.155 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.482 11.169 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.867 10.700 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.999 7.794 5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.096 8.247 7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.864 7.084 6.714 1.00 0.00 H new ATOM 584 N LYS A 45 2.805 8.296 6.549 1.00 0.00 N ATOM 585 CA LYS A 45 2.009 7.506 5.617 1.00 0.00 C ATOM 586 C LYS A 45 0.745 8.256 5.209 1.00 0.00 C ATOM 587 O LYS A 45 0.435 8.371 4.023 1.00 0.00 O ATOM 588 CB LYS A 45 1.637 6.161 6.245 1.00 0.00 C ATOM 589 CG LYS A 45 2.753 5.133 6.186 1.00 0.00 C ATOM 590 CD LYS A 45 2.427 3.908 7.024 1.00 0.00 C ATOM 591 CE LYS A 45 3.687 3.257 7.575 1.00 0.00 C ATOM 592 NZ LYS A 45 3.513 1.792 7.774 1.00 0.00 N ATOM 0 H LYS A 45 2.784 7.959 7.511 1.00 0.00 H new ATOM 0 HA LYS A 45 2.609 7.330 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.356 6.321 7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.760 5.762 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.919 4.834 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.681 5.581 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.774 4.193 7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.879 3.187 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.516 3.434 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.951 3.723 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.425 1.367 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.822 1.624 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.171 1.360 6.892 1.00 0.00 H new ATOM 606 N ARG A 46 0.020 8.766 6.199 1.00 0.00 N ATOM 607 CA ARG A 46 -1.210 9.506 5.943 1.00 0.00 C ATOM 608 C ARG A 46 -1.108 10.296 4.642 1.00 0.00 C ATOM 609 O ARG A 46 -2.048 10.329 3.848 1.00 0.00 O ATOM 610 CB ARG A 46 -1.513 10.453 7.105 1.00 0.00 C ATOM 611 CG ARG A 46 -2.132 9.762 8.309 1.00 0.00 C ATOM 612 CD ARG A 46 -2.330 10.729 9.466 1.00 0.00 C ATOM 613 NE ARG A 46 -2.896 10.070 10.640 1.00 0.00 N ATOM 614 CZ ARG A 46 -2.807 10.559 11.872 1.00 0.00 C ATOM 615 NH1 ARG A 46 -2.179 11.706 12.089 1.00 0.00 N ATOM 616 NH2 ARG A 46 -3.347 9.901 12.889 1.00 0.00 N ATOM 0 H ARG A 46 0.263 8.680 7.186 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.024 8.787 5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.590 10.943 7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.189 11.235 6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.092 9.329 8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.492 8.939 8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.373 11.180 9.729 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.988 11.539 9.153 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.387 9.186 10.507 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.763 12.215 11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.112 12.080 13.036 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.831 9.018 12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.278 10.278 13.834 1.00 0.00 H new ATOM 630 N ALA A 47 0.040 10.932 4.430 1.00 0.00 N ATOM 631 CA ALA A 47 0.265 11.721 3.226 1.00 0.00 C ATOM 632 C ALA A 47 0.066 10.877 1.971 1.00 0.00 C ATOM 633 O ALA A 47 0.887 10.018 1.653 1.00 0.00 O ATOM 634 CB ALA A 47 1.662 12.323 3.243 1.00 0.00 C ATOM 0 H ALA A 47 0.828 10.916 5.077 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.467 12.529 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.816 12.910 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.770 12.967 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.402 11.524 3.288 1.00 0.00 H new ATOM 640 N GLY A 48 -1.031 11.127 1.263 1.00 0.00 N ATOM 641 CA GLY A 48 -1.317 10.381 0.051 1.00 0.00 C ATOM 642 C GLY A 48 -0.952 8.915 0.174 1.00 0.00 C ATOM 643 O GLY A 48 -0.177 8.393 -0.628 1.00 0.00 O ATOM 0 H GLY A 48 -1.726 11.832 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.377 10.470 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.767 10.821 -0.781 1.00 0.00 H new ATOM 647 N TRP A 49 -1.510 8.250 1.179 1.00 0.00 N ATOM 648 CA TRP A 49 -1.237 6.835 1.404 1.00 0.00 C ATOM 649 C TRP A 49 -1.607 6.008 0.179 1.00 0.00 C ATOM 650 O TRP A 49 -2.599 6.289 -0.493 1.00 0.00 O ATOM 651 CB TRP A 49 -2.008 6.334 2.626 1.00 0.00 C ATOM 652 CG TRP A 49 -1.988 4.842 2.771 1.00 0.00 C ATOM 653 CD1 TRP A 49 -1.015 4.090 3.365 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.984 3.923 2.311 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.347 2.758 3.302 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.550 2.629 2.661 1.00 0.00 C ATOM 657 CE3 TRP A 49 -4.201 4.066 1.640 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.291 1.489 2.361 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.935 2.934 1.342 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.479 1.659 1.703 1.00 0.00 C ATOM 0 H TRP A 49 -2.154 8.667 1.851 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.168 6.721 1.586 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.585 6.785 3.524 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.042 6.671 2.557 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.117 4.484 3.818 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.788 1.990 3.673 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.562 5.044 1.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.941 0.506 2.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.876 3.033 0.822 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.077 0.794 1.457 1.00 0.00 H new ATOM 671 N GLN A 50 -0.804 4.987 -0.106 1.00 0.00 N ATOM 672 CA GLN A 50 -1.049 4.119 -1.252 1.00 0.00 C ATOM 673 C GLN A 50 -1.486 2.730 -0.799 1.00 0.00 C ATOM 674 O GLN A 50 -0.854 2.119 0.064 1.00 0.00 O ATOM 675 CB GLN A 50 0.207 4.015 -2.117 1.00 0.00 C ATOM 676 CG GLN A 50 0.282 5.068 -3.211 1.00 0.00 C ATOM 677 CD GLN A 50 1.025 4.582 -4.440 1.00 0.00 C ATOM 678 OE1 GLN A 50 2.191 4.917 -4.647 1.00 0.00 O ATOM 679 NE2 GLN A 50 0.352 3.787 -5.263 1.00 0.00 N ATOM 0 H GLN A 50 0.021 4.741 0.441 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.853 4.558 -1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.086 4.103 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.243 3.026 -2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.728 5.364 -3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.776 5.957 -2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.614 3.535 -5.052 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.800 3.428 -6.106 1.00 0.00 H new ATOM 688 N CYS A 51 -2.570 2.235 -1.386 1.00 0.00 N ATOM 689 CA CYS A 51 -3.093 0.918 -1.043 1.00 0.00 C ATOM 690 C CYS A 51 -2.249 -0.184 -1.677 1.00 0.00 C ATOM 691 O CYS A 51 -1.541 0.031 -2.661 1.00 0.00 O ATOM 692 CB CYS A 51 -4.547 0.788 -1.501 1.00 0.00 C ATOM 693 SG CYS A 51 -4.737 0.260 -3.234 1.00 0.00 S ATOM 0 H CYS A 51 -3.104 2.727 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.049 0.808 0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.057 0.072 -0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.046 1.748 -1.368 1.00 0.00 H new ATOM 698 N PRO A 52 -2.324 -1.392 -1.101 1.00 0.00 N ATOM 699 CA PRO A 52 -1.575 -2.552 -1.592 1.00 0.00 C ATOM 700 C PRO A 52 -2.096 -3.052 -2.935 1.00 0.00 C ATOM 701 O PRO A 52 -1.475 -3.901 -3.574 1.00 0.00 O ATOM 702 CB PRO A 52 -1.800 -3.607 -0.506 1.00 0.00 C ATOM 703 CG PRO A 52 -3.088 -3.221 0.135 1.00 0.00 C ATOM 704 CD PRO A 52 -3.148 -1.720 0.076 1.00 0.00 C ATOM 0 HA PRO A 52 -0.525 -2.315 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.854 -4.609 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.984 -3.612 0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.933 -3.666 -0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.131 -3.573 1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.172 -1.363 -0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.751 -1.266 0.984 1.00 0.00 H new ATOM 712 N GLU A 53 -3.238 -2.519 -3.357 1.00 0.00 N ATOM 713 CA GLU A 53 -3.842 -2.913 -4.625 1.00 0.00 C ATOM 714 C GLU A 53 -3.364 -2.009 -5.758 1.00 0.00 C ATOM 715 O GLU A 53 -3.486 -2.353 -6.935 1.00 0.00 O ATOM 716 CB GLU A 53 -5.368 -2.863 -4.526 1.00 0.00 C ATOM 717 CG GLU A 53 -5.929 -3.664 -3.364 1.00 0.00 C ATOM 718 CD GLU A 53 -7.399 -3.995 -3.539 1.00 0.00 C ATOM 719 OE1 GLU A 53 -8.213 -3.052 -3.631 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.734 -5.197 -3.585 1.00 0.00 O ATOM 0 H GLU A 53 -3.763 -1.814 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.533 -3.935 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.683 -1.824 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.796 -3.238 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.362 -4.589 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.795 -3.100 -2.441 1.00 0.00 H new ATOM 727 N CYS A 54 -2.821 -0.852 -5.396 1.00 0.00 N ATOM 728 CA CYS A 54 -2.326 0.102 -6.380 1.00 0.00 C ATOM 729 C CYS A 54 -0.822 0.310 -6.228 1.00 0.00 C ATOM 730 O CYS A 54 -0.158 0.815 -7.134 1.00 0.00 O ATOM 731 CB CYS A 54 -3.054 1.440 -6.235 1.00 0.00 C ATOM 732 SG CYS A 54 -4.822 1.376 -6.670 1.00 0.00 S ATOM 0 H CYS A 54 -2.713 -0.552 -4.427 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.520 -0.304 -7.373 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.956 1.785 -5.206 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.562 2.179 -6.867 1.00 0.00 H new ATOM 737 N LYS A 55 -0.290 -0.083 -5.075 1.00 0.00 N ATOM 738 CA LYS A 55 1.136 0.058 -4.803 1.00 0.00 C ATOM 739 C LYS A 55 1.961 -0.780 -5.774 1.00 0.00 C ATOM 740 O LYS A 55 1.595 -1.909 -6.101 1.00 0.00 O ATOM 741 CB LYS A 55 1.444 -0.360 -3.363 1.00 0.00 C ATOM 742 CG LYS A 55 2.920 -0.607 -3.105 1.00 0.00 C ATOM 743 CD LYS A 55 3.132 -1.527 -1.915 1.00 0.00 C ATOM 744 CE LYS A 55 3.029 -0.770 -0.599 1.00 0.00 C ATOM 745 NZ LYS A 55 1.622 -0.678 -0.121 1.00 0.00 N ATOM 0 H LYS A 55 -0.825 -0.502 -4.314 1.00 0.00 H new ATOM 0 HA LYS A 55 1.404 1.106 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.090 0.416 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.886 -1.267 -3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.377 -1.047 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.423 0.343 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.391 -2.326 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.112 -1.999 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.637 -1.269 0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.436 0.233 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.613 -0.557 0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.156 0.137 -0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.112 -1.549 -0.372 1.00 0.00 H new ATOM 759 N VAL A 56 3.076 -0.220 -6.232 1.00 0.00 N ATOM 760 CA VAL A 56 3.954 -0.917 -7.164 1.00 0.00 C ATOM 761 C VAL A 56 5.394 -0.433 -7.030 1.00 0.00 C ATOM 762 O VAL A 56 5.655 0.615 -6.438 1.00 0.00 O ATOM 763 CB VAL A 56 3.493 -0.724 -8.621 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.015 -1.053 -8.762 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.778 0.696 -9.086 1.00 0.00 C ATOM 0 H VAL A 56 3.393 0.714 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 56 3.905 -1.976 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 56 4.055 -1.410 -9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.708 -0.911 -9.798 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.844 -2.090 -8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.433 -0.395 -8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.446 0.815 -10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.244 1.401 -8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.849 0.891 -9.025 1.00 0.00 H new ATOM 775 N CYS A 57 6.325 -1.202 -7.584 1.00 0.00 N ATOM 776 CA CYS A 57 7.739 -0.852 -7.527 1.00 0.00 C ATOM 777 C CYS A 57 7.983 0.529 -8.128 1.00 0.00 C ATOM 778 O CYS A 57 7.231 0.983 -8.989 1.00 0.00 O ATOM 779 CB CYS A 57 8.575 -1.898 -8.268 1.00 0.00 C ATOM 780 SG CYS A 57 10.373 -1.696 -8.059 1.00 0.00 S ATOM 0 H CYS A 57 6.126 -2.072 -8.078 1.00 0.00 H new ATOM 0 HA CYS A 57 8.040 -0.831 -6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.289 -2.890 -7.919 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.336 -1.852 -9.331 1.00 0.00 H new ATOM 785 N GLN A 58 9.039 1.191 -7.667 1.00 0.00 N ATOM 786 CA GLN A 58 9.382 2.520 -8.159 1.00 0.00 C ATOM 787 C GLN A 58 10.645 2.476 -9.011 1.00 0.00 C ATOM 788 O GLN A 58 10.938 3.413 -9.753 1.00 0.00 O ATOM 789 CB GLN A 58 9.575 3.486 -6.988 1.00 0.00 C ATOM 790 CG GLN A 58 8.319 3.694 -6.158 1.00 0.00 C ATOM 791 CD GLN A 58 7.312 4.601 -6.838 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.531 5.806 -6.965 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.201 4.025 -7.281 1.00 0.00 N ATOM 0 H GLN A 58 9.672 0.829 -6.954 1.00 0.00 H new ATOM 0 HA GLN A 58 8.559 2.873 -8.781 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.368 3.108 -6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.909 4.449 -7.374 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.855 2.728 -5.959 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.593 4.121 -5.193 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.061 3.023 -7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.488 4.585 -7.748 1.00 0.00 H new ATOM 802 N ASN A 59 11.391 1.382 -8.899 1.00 0.00 N ATOM 803 CA ASN A 59 12.625 1.216 -9.660 1.00 0.00 C ATOM 804 C ASN A 59 12.330 0.732 -11.076 1.00 0.00 C ATOM 805 O ASN A 59 12.883 1.248 -12.048 1.00 0.00 O ATOM 806 CB ASN A 59 13.554 0.227 -8.954 1.00 0.00 C ATOM 807 CG ASN A 59 13.510 0.368 -7.444 1.00 0.00 C ATOM 808 OD1 ASN A 59 12.514 0.025 -6.807 1.00 0.00 O ATOM 809 ND2 ASN A 59 14.592 0.876 -6.866 1.00 0.00 N ATOM 0 H ASN A 59 11.163 0.597 -8.289 1.00 0.00 H new ATOM 0 HA ASN A 59 13.118 2.186 -9.722 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.274 -0.790 -9.229 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.576 0.382 -9.301 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.621 0.996 -5.853 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.395 1.146 -7.435 1.00 0.00 H new ATOM 816 N CYS A 60 11.455 -0.262 -11.186 1.00 0.00 N ATOM 817 CA CYS A 60 11.085 -0.817 -12.482 1.00 0.00 C ATOM 818 C CYS A 60 9.663 -0.413 -12.861 1.00 0.00 C ATOM 819 O CYS A 60 9.319 -0.343 -14.041 1.00 0.00 O ATOM 820 CB CYS A 60 11.206 -2.342 -12.461 1.00 0.00 C ATOM 821 SG CYS A 60 9.919 -3.176 -11.477 1.00 0.00 S ATOM 0 H CYS A 60 10.988 -0.700 -10.392 1.00 0.00 H new ATOM 0 HA CYS A 60 11.769 -0.416 -13.230 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.163 -2.713 -13.485 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.184 -2.613 -12.064 1.00 0.00 H new ATOM 826 N LYS A 61 8.840 -0.148 -11.852 1.00 0.00 N ATOM 827 CA LYS A 61 7.456 0.250 -12.077 1.00 0.00 C ATOM 828 C LYS A 61 6.658 -0.887 -12.706 1.00 0.00 C ATOM 829 O LYS A 61 6.023 -0.710 -13.745 1.00 0.00 O ATOM 830 CB LYS A 61 7.399 1.486 -12.977 1.00 0.00 C ATOM 831 CG LYS A 61 8.184 2.669 -12.437 1.00 0.00 C ATOM 832 CD LYS A 61 7.356 3.488 -11.460 1.00 0.00 C ATOM 833 CE LYS A 61 6.459 4.480 -12.184 1.00 0.00 C ATOM 834 NZ LYS A 61 5.902 5.503 -11.257 1.00 0.00 N ATOM 0 H LYS A 61 9.108 -0.202 -10.869 1.00 0.00 H new ATOM 0 HA LYS A 61 7.012 0.491 -11.111 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.784 1.225 -13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.358 1.781 -13.109 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.086 2.312 -11.941 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.504 3.302 -13.264 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.746 2.821 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.018 4.024 -10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.027 4.975 -12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.642 3.945 -12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.296 6.160 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.339 5.033 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.681 6.031 -10.814 1.00 0.00 H new ATOM 848 N GLN A 62 6.695 -2.053 -12.069 1.00 0.00 N ATOM 849 CA GLN A 62 5.974 -3.219 -12.567 1.00 0.00 C ATOM 850 C GLN A 62 5.601 -4.157 -11.425 1.00 0.00 C ATOM 851 O GLN A 62 6.456 -4.850 -10.872 1.00 0.00 O ATOM 852 CB GLN A 62 6.820 -3.965 -13.600 1.00 0.00 C ATOM 853 CG GLN A 62 7.289 -3.089 -14.751 1.00 0.00 C ATOM 854 CD GLN A 62 7.740 -3.895 -15.952 1.00 0.00 C ATOM 855 OE1 GLN A 62 7.074 -4.847 -16.361 1.00 0.00 O ATOM 856 NE2 GLN A 62 8.876 -3.518 -16.526 1.00 0.00 N ATOM 0 H GLN A 62 7.216 -2.216 -11.207 1.00 0.00 H new ATOM 0 HA GLN A 62 5.056 -2.872 -13.042 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.690 -4.394 -13.103 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.240 -4.796 -14.000 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.479 -2.423 -15.049 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.111 -2.459 -14.411 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.396 -2.723 -16.154 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.229 -4.023 -17.339 1.00 0.00 H new ATOM 865 N SER A 63 4.318 -4.175 -11.075 1.00 0.00 N ATOM 866 CA SER A 63 3.832 -5.025 -9.995 1.00 0.00 C ATOM 867 C SER A 63 3.584 -6.446 -10.492 1.00 0.00 C ATOM 868 O SER A 63 2.942 -6.653 -11.521 1.00 0.00 O ATOM 869 CB SER A 63 2.545 -4.448 -9.402 1.00 0.00 C ATOM 870 OG SER A 63 1.726 -5.473 -8.867 1.00 0.00 O ATOM 0 H SER A 63 3.597 -3.610 -11.524 1.00 0.00 H new ATOM 0 HA SER A 63 4.597 -5.058 -9.220 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.791 -3.730 -8.620 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.997 -3.905 -10.172 1.00 0.00 H new ATOM 0 HG SER A 63 0.911 -5.078 -8.493 1.00 0.00 H new ATOM 876 N GLY A 64 4.099 -7.424 -9.753 1.00 0.00 N ATOM 877 CA GLY A 64 3.924 -8.813 -10.133 1.00 0.00 C ATOM 878 C GLY A 64 4.454 -9.773 -9.086 1.00 0.00 C ATOM 879 O GLY A 64 3.777 -10.731 -8.715 1.00 0.00 O ATOM 0 H GLY A 64 4.635 -7.279 -8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.865 -9.010 -10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.434 -8.994 -11.079 1.00 0.00 H new ATOM 883 N GLU A 65 5.668 -9.516 -8.611 1.00 0.00 N ATOM 884 CA GLU A 65 6.289 -10.367 -7.602 1.00 0.00 C ATOM 885 C GLU A 65 6.088 -9.788 -6.204 1.00 0.00 C ATOM 886 O GLU A 65 6.927 -9.039 -5.705 1.00 0.00 O ATOM 887 CB GLU A 65 7.783 -10.529 -7.889 1.00 0.00 C ATOM 888 CG GLU A 65 8.080 -11.099 -9.266 1.00 0.00 C ATOM 889 CD GLU A 65 7.753 -10.127 -10.383 1.00 0.00 C ATOM 890 OE1 GLU A 65 8.359 -9.035 -10.414 1.00 0.00 O ATOM 891 OE2 GLU A 65 6.893 -10.458 -11.226 1.00 0.00 O ATOM 0 H GLU A 65 6.241 -8.726 -8.908 1.00 0.00 H new ATOM 0 HA GLU A 65 5.810 -11.345 -7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.270 -9.558 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.221 -11.181 -7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.134 -11.371 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.507 -12.015 -9.407 1.00 0.00 H new ATOM 898 N ASP A 66 4.970 -10.142 -5.579 1.00 0.00 N ATOM 899 CA ASP A 66 4.658 -9.659 -4.239 1.00 0.00 C ATOM 900 C ASP A 66 5.658 -10.198 -3.221 1.00 0.00 C ATOM 901 O ASP A 66 6.229 -9.441 -2.435 1.00 0.00 O ATOM 902 CB ASP A 66 3.239 -10.068 -3.844 1.00 0.00 C ATOM 903 CG ASP A 66 3.137 -11.539 -3.490 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.922 -12.357 -4.409 1.00 0.00 O ATOM 905 OD2 ASP A 66 3.275 -11.872 -2.294 1.00 0.00 O ATOM 0 H ASP A 66 4.265 -10.761 -5.979 1.00 0.00 H new ATOM 0 HA ASP A 66 4.725 -8.571 -4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.915 -9.469 -2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.558 -9.847 -4.666 1.00 0.00 H new ATOM 910 N SER A 67 5.865 -11.511 -3.240 1.00 0.00 N ATOM 911 CA SER A 67 6.793 -12.152 -2.315 1.00 0.00 C ATOM 912 C SER A 67 8.135 -11.428 -2.302 1.00 0.00 C ATOM 913 O SER A 67 8.555 -10.893 -1.276 1.00 0.00 O ATOM 914 CB SER A 67 6.996 -13.619 -2.699 1.00 0.00 C ATOM 915 OG SER A 67 7.464 -14.375 -1.596 1.00 0.00 O ATOM 0 H SER A 67 5.403 -12.152 -3.885 1.00 0.00 H new ATOM 0 HA SER A 67 6.363 -12.101 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.056 -14.038 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.710 -13.688 -3.520 1.00 0.00 H new ATOM 0 HG SER A 67 7.584 -15.309 -1.867 1.00 0.00 H new ATOM 921 N LYS A 68 8.804 -11.414 -3.450 1.00 0.00 N ATOM 922 CA LYS A 68 10.098 -10.754 -3.574 1.00 0.00 C ATOM 923 C LYS A 68 9.992 -9.275 -3.215 1.00 0.00 C ATOM 924 O LYS A 68 10.899 -8.708 -2.606 1.00 0.00 O ATOM 925 CB LYS A 68 10.638 -10.907 -4.998 1.00 0.00 C ATOM 926 CG LYS A 68 10.871 -12.351 -5.408 1.00 0.00 C ATOM 927 CD LYS A 68 11.494 -12.444 -6.791 1.00 0.00 C ATOM 928 CE LYS A 68 11.452 -13.867 -7.326 1.00 0.00 C ATOM 929 NZ LYS A 68 10.073 -14.274 -7.714 1.00 0.00 N ATOM 0 H LYS A 68 8.471 -11.853 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 68 10.788 -11.230 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.936 -10.449 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.576 -10.358 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.522 -12.836 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.924 -12.891 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.964 -11.781 -7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.527 -12.100 -6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.111 -13.950 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.833 -14.551 -6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.112 -15.161 -8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.499 -14.417 -6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.643 -13.529 -8.299 1.00 0.00 H new ATOM 943 N MET A 69 8.879 -8.657 -3.596 1.00 0.00 N ATOM 944 CA MET A 69 8.654 -7.245 -3.312 1.00 0.00 C ATOM 945 C MET A 69 8.769 -6.966 -1.817 1.00 0.00 C ATOM 946 O MET A 69 8.157 -7.653 -0.998 1.00 0.00 O ATOM 947 CB MET A 69 7.276 -6.814 -3.818 1.00 0.00 C ATOM 948 CG MET A 69 6.991 -5.334 -3.620 1.00 0.00 C ATOM 949 SD MET A 69 5.463 -4.808 -4.419 1.00 0.00 S ATOM 950 CE MET A 69 6.088 -3.599 -5.583 1.00 0.00 C ATOM 0 H MET A 69 8.119 -9.112 -4.102 1.00 0.00 H new ATOM 0 HA MET A 69 9.420 -6.669 -3.831 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.197 -7.052 -4.879 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.511 -7.395 -3.303 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.931 -5.119 -2.553 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.823 -4.752 -4.016 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.581 -3.720 -6.540 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.904 -2.596 -5.199 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.160 -3.745 -5.719 1.00 0.00 H new ATOM 960 N LEU A 70 9.557 -5.956 -1.467 1.00 0.00 N ATOM 961 CA LEU A 70 9.753 -5.586 -0.069 1.00 0.00 C ATOM 962 C LEU A 70 8.922 -4.359 0.291 1.00 0.00 C ATOM 963 O LEU A 70 9.075 -3.295 -0.307 1.00 0.00 O ATOM 964 CB LEU A 70 11.233 -5.312 0.204 1.00 0.00 C ATOM 965 CG LEU A 70 12.161 -6.526 0.156 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.576 -6.103 -0.206 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.147 -7.261 1.488 1.00 0.00 C ATOM 0 H LEU A 70 10.071 -5.378 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 70 9.424 -6.420 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.586 -4.581 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.321 -4.851 1.188 1.00 0.00 H new ATOM 0 HG LEU A 70 11.798 -7.205 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.222 -6.981 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.573 -5.622 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.949 -5.403 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.813 -8.122 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.484 -6.589 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.134 -7.599 1.707 1.00 0.00 H new ATOM 979 N VAL A 71 8.042 -4.515 1.276 1.00 0.00 N ATOM 980 CA VAL A 71 7.189 -3.419 1.719 1.00 0.00 C ATOM 981 C VAL A 71 7.774 -2.728 2.944 1.00 0.00 C ATOM 982 O VAL A 71 7.781 -3.285 4.042 1.00 0.00 O ATOM 983 CB VAL A 71 5.768 -3.914 2.052 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.921 -2.775 2.599 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.117 -4.530 0.823 1.00 0.00 C ATOM 0 H VAL A 71 7.902 -5.390 1.782 1.00 0.00 H new ATOM 0 HA VAL A 71 7.135 -2.707 0.895 1.00 0.00 H new ATOM 0 HB VAL A 71 5.841 -4.683 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.921 -3.143 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.381 -2.383 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.854 -1.982 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.114 -4.874 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.055 -3.783 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.714 -5.375 0.480 1.00 0.00 H new ATOM 995 N CYS A 72 8.266 -1.508 2.750 1.00 0.00 N ATOM 996 CA CYS A 72 8.855 -0.738 3.839 1.00 0.00 C ATOM 997 C CYS A 72 7.914 -0.687 5.040 1.00 0.00 C ATOM 998 O CYS A 72 6.725 -0.984 4.923 1.00 0.00 O ATOM 999 CB CYS A 72 9.179 0.681 3.371 1.00 0.00 C ATOM 1000 SG CYS A 72 10.500 1.496 4.324 1.00 0.00 S ATOM 0 H CYS A 72 8.268 -1.032 1.848 1.00 0.00 H new ATOM 0 HA CYS A 72 9.778 -1.233 4.143 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.471 0.648 2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.275 1.287 3.432 1.00 0.00 H new ATOM 1005 N ASP A 73 8.455 -0.310 6.193 1.00 0.00 N ATOM 1006 CA ASP A 73 7.665 -0.218 7.415 1.00 0.00 C ATOM 1007 C ASP A 73 7.437 1.238 7.807 1.00 0.00 C ATOM 1008 O ASP A 73 6.542 1.548 8.594 1.00 0.00 O ATOM 1009 CB ASP A 73 8.362 -0.963 8.555 1.00 0.00 C ATOM 1010 CG ASP A 73 7.941 -2.417 8.640 1.00 0.00 C ATOM 1011 OD1 ASP A 73 6.933 -2.704 9.320 1.00 0.00 O ATOM 1012 OD2 ASP A 73 8.618 -3.267 8.027 1.00 0.00 O ATOM 0 H ASP A 73 9.438 -0.063 6.307 1.00 0.00 H new ATOM 0 HA ASP A 73 6.696 -0.680 7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.441 -0.908 8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.138 -0.467 9.500 1.00 0.00 H new ATOM 1017 N THR A 74 8.253 2.130 7.253 1.00 0.00 N ATOM 1018 CA THR A 74 8.142 3.553 7.546 1.00 0.00 C ATOM 1019 C THR A 74 7.287 4.264 6.503 1.00 0.00 C ATOM 1020 O THR A 74 6.224 4.799 6.818 1.00 0.00 O ATOM 1021 CB THR A 74 9.527 4.225 7.602 1.00 0.00 C ATOM 1022 OG1 THR A 74 10.297 3.672 8.676 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.392 5.728 7.791 1.00 0.00 C ATOM 0 H THR A 74 8.998 1.891 6.599 1.00 0.00 H new ATOM 0 HA THR A 74 7.665 3.638 8.522 1.00 0.00 H new ATOM 0 HB THR A 74 10.035 4.038 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.177 4.103 8.704 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.383 6.181 7.828 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.831 6.151 6.958 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.866 5.932 8.723 1.00 0.00 H new ATOM 1031 N CYS A 75 7.757 4.265 5.260 1.00 0.00 N ATOM 1032 CA CYS A 75 7.036 4.910 4.170 1.00 0.00 C ATOM 1033 C CYS A 75 5.994 3.967 3.575 1.00 0.00 C ATOM 1034 O CYS A 75 5.027 4.408 2.953 1.00 0.00 O ATOM 1035 CB CYS A 75 8.012 5.361 3.082 1.00 0.00 C ATOM 1036 SG CYS A 75 8.768 3.993 2.146 1.00 0.00 S ATOM 0 H CYS A 75 8.635 3.826 4.983 1.00 0.00 H new ATOM 0 HA CYS A 75 6.523 5.783 4.573 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.487 6.016 2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.803 5.953 3.542 1.00 0.00 H new ATOM 1041 N ASP A 76 6.198 2.670 3.770 1.00 0.00 N ATOM 1042 CA ASP A 76 5.276 1.664 3.255 1.00 0.00 C ATOM 1043 C ASP A 76 5.295 1.641 1.730 1.00 0.00 C ATOM 1044 O ASP A 76 4.246 1.618 1.085 1.00 0.00 O ATOM 1045 CB ASP A 76 3.857 1.938 3.756 1.00 0.00 C ATOM 1046 CG ASP A 76 3.001 0.687 3.784 1.00 0.00 C ATOM 1047 OD1 ASP A 76 2.575 0.235 2.700 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.759 0.159 4.889 1.00 0.00 O ATOM 0 H ASP A 76 6.994 2.289 4.281 1.00 0.00 H new ATOM 0 HA ASP A 76 5.599 0.689 3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.905 2.365 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.386 2.683 3.115 1.00 0.00 H new ATOM 1053 N LYS A 77 6.494 1.648 1.158 1.00 0.00 N ATOM 1054 CA LYS A 77 6.651 1.628 -0.292 1.00 0.00 C ATOM 1055 C LYS A 77 6.887 0.207 -0.794 1.00 0.00 C ATOM 1056 O LYS A 77 6.831 -0.751 -0.024 1.00 0.00 O ATOM 1057 CB LYS A 77 7.815 2.528 -0.712 1.00 0.00 C ATOM 1058 CG LYS A 77 7.417 3.980 -0.917 1.00 0.00 C ATOM 1059 CD LYS A 77 6.799 4.201 -2.288 1.00 0.00 C ATOM 1060 CE LYS A 77 5.786 5.335 -2.266 1.00 0.00 C ATOM 1061 NZ LYS A 77 4.890 5.301 -3.456 1.00 0.00 N ATOM 0 H LYS A 77 7.372 1.667 1.677 1.00 0.00 H new ATOM 0 HA LYS A 77 5.730 2.004 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.595 2.477 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.245 2.144 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.707 4.276 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.294 4.618 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.584 4.427 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.313 3.284 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.187 5.269 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.310 6.290 -2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.915 6.223 -3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.212 4.561 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.917 5.095 -3.152 1.00 0.00 H new ATOM 1075 N GLY A 78 7.154 0.078 -2.090 1.00 0.00 N ATOM 1076 CA GLY A 78 7.396 -1.229 -2.671 1.00 0.00 C ATOM 1077 C GLY A 78 8.646 -1.260 -3.529 1.00 0.00 C ATOM 1078 O GLY A 78 8.785 -0.471 -4.464 1.00 0.00 O ATOM 0 H GLY A 78 7.207 0.856 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.488 -1.966 -1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.537 -1.519 -3.276 1.00 0.00 H new ATOM 1082 N TYR A 79 9.558 -2.171 -3.210 1.00 0.00 N ATOM 1083 CA TYR A 79 10.805 -2.298 -3.955 1.00 0.00 C ATOM 1084 C TYR A 79 11.266 -3.752 -4.002 1.00 0.00 C ATOM 1085 O TYR A 79 11.542 -4.362 -2.968 1.00 0.00 O ATOM 1086 CB TYR A 79 11.892 -1.427 -3.324 1.00 0.00 C ATOM 1087 CG TYR A 79 11.421 -0.035 -2.968 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.293 0.947 -3.942 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.104 0.298 -1.657 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.865 2.221 -3.621 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.673 1.568 -1.326 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.555 2.526 -2.312 1.00 0.00 C ATOM 1093 OH TYR A 79 10.126 3.793 -1.988 1.00 0.00 O ATOM 0 H TYR A 79 9.457 -2.833 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 79 10.625 -1.960 -4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.262 -1.918 -2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.732 -1.352 -4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.532 0.711 -4.968 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.196 -0.449 -0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.774 2.973 -4.390 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.430 1.810 -0.302 1.00 0.00 H new ATOM 0 HH TYR A 79 9.870 4.271 -2.805 1.00 0.00 H new ATOM 1103 N HIS A 80 11.347 -4.302 -5.209 1.00 0.00 N ATOM 1104 CA HIS A 80 11.776 -5.684 -5.393 1.00 0.00 C ATOM 1105 C HIS A 80 13.231 -5.862 -4.970 1.00 0.00 C ATOM 1106 O HIS A 80 14.052 -4.959 -5.137 1.00 0.00 O ATOM 1107 CB HIS A 80 11.601 -6.105 -6.852 1.00 0.00 C ATOM 1108 CG HIS A 80 10.227 -5.847 -7.389 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.992 -5.134 -8.546 1.00 0.00 N ATOM 1110 CD2 HIS A 80 9.010 -6.213 -6.922 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.691 -5.071 -8.766 1.00 0.00 C ATOM 1112 NE2 HIS A 80 8.073 -5.719 -7.795 1.00 0.00 N ATOM 0 H HIS A 80 11.121 -3.812 -6.075 1.00 0.00 H new ATOM 0 HA HIS A 80 11.153 -6.319 -4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.328 -5.572 -7.465 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.825 -7.168 -6.944 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.813 -6.787 -6.029 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.214 -4.574 -9.598 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.063 -5.834 -7.708 1.00 0.00 H new ATOM 1120 N THR A 81 13.544 -7.031 -4.422 1.00 0.00 N ATOM 1121 CA THR A 81 14.899 -7.327 -3.974 1.00 0.00 C ATOM 1122 C THR A 81 15.922 -6.986 -5.052 1.00 0.00 C ATOM 1123 O THR A 81 16.894 -6.275 -4.796 1.00 0.00 O ATOM 1124 CB THR A 81 15.052 -8.811 -3.588 1.00 0.00 C ATOM 1125 OG1 THR A 81 14.511 -9.643 -4.620 1.00 0.00 O ATOM 1126 CG2 THR A 81 14.349 -9.103 -2.272 1.00 0.00 C ATOM 0 H THR A 81 12.877 -7.789 -4.277 1.00 0.00 H new ATOM 0 HA THR A 81 15.083 -6.710 -3.095 1.00 0.00 H new ATOM 0 HB THR A 81 16.114 -9.026 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.613 -10.585 -4.368 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.471 -10.157 -2.020 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.784 -8.489 -1.483 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.288 -8.873 -2.368 1.00 0.00 H new ATOM 1134 N PHE A 82 15.696 -7.496 -6.258 1.00 0.00 N ATOM 1135 CA PHE A 82 16.598 -7.245 -7.375 1.00 0.00 C ATOM 1136 C PHE A 82 16.560 -5.775 -7.785 1.00 0.00 C ATOM 1137 O PHE A 82 17.480 -5.276 -8.435 1.00 0.00 O ATOM 1138 CB PHE A 82 16.225 -8.128 -8.568 1.00 0.00 C ATOM 1139 CG PHE A 82 14.753 -8.144 -8.865 1.00 0.00 C ATOM 1140 CD1 PHE A 82 14.175 -7.139 -9.622 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.948 -9.166 -8.387 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.820 -7.151 -9.897 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.593 -9.183 -8.659 1.00 0.00 C ATOM 1144 CZ PHE A 82 12.028 -8.175 -9.415 1.00 0.00 C ATOM 0 H PHE A 82 14.896 -8.086 -6.486 1.00 0.00 H new ATOM 0 HA PHE A 82 17.611 -7.489 -7.054 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.762 -7.779 -9.450 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.559 -9.147 -8.374 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.790 -6.336 -10.002 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.384 -9.958 -7.796 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.381 -6.361 -10.488 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.976 -9.985 -8.280 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.969 -8.187 -9.629 1.00 0.00 H new ATOM 1154 N CYS A 83 15.490 -5.088 -7.402 1.00 0.00 N ATOM 1155 CA CYS A 83 15.330 -3.676 -7.729 1.00 0.00 C ATOM 1156 C CYS A 83 15.924 -2.793 -6.635 1.00 0.00 C ATOM 1157 O CYS A 83 15.552 -1.628 -6.492 1.00 0.00 O ATOM 1158 CB CYS A 83 13.850 -3.341 -7.922 1.00 0.00 C ATOM 1159 SG CYS A 83 13.175 -3.855 -9.534 1.00 0.00 S ATOM 0 H CYS A 83 14.720 -5.486 -6.864 1.00 0.00 H new ATOM 0 HA CYS A 83 15.865 -3.481 -8.659 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.274 -3.819 -7.130 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.714 -2.265 -7.810 1.00 0.00 H new ATOM 1164 N LEU A 84 16.849 -3.356 -5.866 1.00 0.00 N ATOM 1165 CA LEU A 84 17.496 -2.621 -4.785 1.00 0.00 C ATOM 1166 C LEU A 84 18.967 -2.370 -5.101 1.00 0.00 C ATOM 1167 O LEU A 84 19.624 -3.194 -5.737 1.00 0.00 O ATOM 1168 CB LEU A 84 17.370 -3.392 -3.470 1.00 0.00 C ATOM 1169 CG LEU A 84 15.964 -3.482 -2.877 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.975 -4.305 -1.599 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.406 -2.091 -2.613 1.00 0.00 C ATOM 0 H LEU A 84 17.168 -4.319 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 84 16.995 -1.658 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.741 -4.404 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.024 -2.924 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 84 15.317 -3.980 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.965 -4.358 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.331 -5.312 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.636 -3.836 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.404 -2.175 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.053 -1.567 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.360 -1.534 -3.549 1.00 0.00 H new ATOM 1183 N GLN A 85 19.478 -1.228 -4.651 1.00 0.00 N ATOM 1184 CA GLN A 85 20.872 -0.870 -4.885 1.00 0.00 C ATOM 1185 C GLN A 85 21.580 -0.551 -3.572 1.00 0.00 C ATOM 1186 O GLN A 85 21.417 0.525 -2.997 1.00 0.00 O ATOM 1187 CB GLN A 85 20.961 0.328 -5.831 1.00 0.00 C ATOM 1188 CG GLN A 85 22.384 0.799 -6.085 1.00 0.00 C ATOM 1189 CD GLN A 85 23.070 0.013 -7.185 1.00 0.00 C ATOM 1190 OE1 GLN A 85 24.064 -0.673 -6.946 1.00 0.00 O ATOM 1191 NE2 GLN A 85 22.542 0.110 -8.400 1.00 0.00 N ATOM 0 H GLN A 85 18.948 -0.535 -4.123 1.00 0.00 H new ATOM 0 HA GLN A 85 21.368 -1.724 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.499 0.064 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.383 1.153 -5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 85 22.371 1.856 -6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 85 22.962 0.710 -5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 85 21.717 0.690 -8.553 1.00 0.00 H new ATOM 0 HE22 GLN A 85 22.961 -0.396 -9.180 1.00 0.00 H new ATOM 1200 N PRO A 86 22.384 -1.507 -3.085 1.00 0.00 N ATOM 1201 CA PRO A 86 22.585 -2.793 -3.761 1.00 0.00 C ATOM 1202 C PRO A 86 21.343 -3.675 -3.709 1.00 0.00 C ATOM 1203 O PRO A 86 20.327 -3.301 -3.122 1.00 0.00 O ATOM 1204 CB PRO A 86 23.729 -3.433 -2.971 1.00 0.00 C ATOM 1205 CG PRO A 86 23.651 -2.812 -1.620 1.00 0.00 C ATOM 1206 CD PRO A 86 23.160 -1.408 -1.837 1.00 0.00 C ATOM 0 HA PRO A 86 22.800 -2.667 -4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.615 -4.516 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.693 -3.238 -3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.971 -3.368 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.626 -2.813 -1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.543 -1.065 -1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.986 -0.704 -1.932 1.00 0.00 H new ATOM 1214 N VAL A 87 21.430 -4.849 -4.328 1.00 0.00 N ATOM 1215 CA VAL A 87 20.313 -5.785 -4.351 1.00 0.00 C ATOM 1216 C VAL A 87 20.281 -6.634 -3.085 1.00 0.00 C ATOM 1217 O VAL A 87 21.318 -6.902 -2.479 1.00 0.00 O ATOM 1218 CB VAL A 87 20.385 -6.715 -5.577 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.553 -7.967 -5.348 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.926 -5.982 -6.828 1.00 0.00 C ATOM 0 H VAL A 87 22.263 -5.174 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 87 19.402 -5.189 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 87 21.422 -7.019 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.616 -8.611 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 87 19.932 -8.501 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.513 -7.687 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.983 -6.653 -7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.897 -5.648 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.569 -5.119 -7.000 1.00 0.00 H new ATOM 1230 N MET A 88 19.083 -7.054 -2.691 1.00 0.00 N ATOM 1231 CA MET A 88 18.917 -7.875 -1.497 1.00 0.00 C ATOM 1232 C MET A 88 18.868 -9.356 -1.857 1.00 0.00 C ATOM 1233 O MET A 88 18.340 -9.734 -2.903 1.00 0.00 O ATOM 1234 CB MET A 88 17.640 -7.477 -0.753 1.00 0.00 C ATOM 1235 CG MET A 88 17.800 -6.235 0.108 1.00 0.00 C ATOM 1236 SD MET A 88 18.699 -6.560 1.637 1.00 0.00 S ATOM 1237 CE MET A 88 17.345 -6.732 2.796 1.00 0.00 C ATOM 0 H MET A 88 18.214 -6.840 -3.180 1.00 0.00 H new ATOM 0 HA MET A 88 19.776 -7.706 -0.848 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.845 -7.306 -1.479 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.323 -8.308 -0.123 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.325 -5.468 -0.462 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.815 -5.835 0.348 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.606 -7.472 3.553 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.153 -5.773 3.277 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.450 -7.057 2.265 1.00 0.00 H new ATOM 1247 N LYS A 89 19.423 -10.191 -0.985 1.00 0.00 N ATOM 1248 CA LYS A 89 19.443 -11.632 -1.211 1.00 0.00 C ATOM 1249 C LYS A 89 18.211 -12.294 -0.604 1.00 0.00 C ATOM 1250 O LYS A 89 17.601 -13.172 -1.216 1.00 0.00 O ATOM 1251 CB LYS A 89 20.711 -12.245 -0.613 1.00 0.00 C ATOM 1252 CG LYS A 89 21.889 -12.263 -1.572 1.00 0.00 C ATOM 1253 CD LYS A 89 22.644 -10.945 -1.553 1.00 0.00 C ATOM 1254 CE LYS A 89 22.093 -9.972 -2.584 1.00 0.00 C ATOM 1255 NZ LYS A 89 23.134 -9.020 -3.061 1.00 0.00 N ATOM 0 H LYS A 89 19.865 -9.895 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 89 19.435 -11.806 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.989 -11.685 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.496 -13.265 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 89 22.565 -13.075 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 89 21.534 -12.465 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 89 22.577 -10.501 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 89 23.700 -11.127 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 89 21.694 -10.529 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 89 21.263 -9.415 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.775 -8.047 -2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 23.989 -9.120 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 23.366 -9.228 -4.053 1.00 0.00 H new ATOM 1269 N SER A 90 17.848 -11.868 0.602 1.00 0.00 N ATOM 1270 CA SER A 90 16.689 -12.422 1.292 1.00 0.00 C ATOM 1271 C SER A 90 15.857 -11.315 1.932 1.00 0.00 C ATOM 1272 O SER A 90 16.210 -10.137 1.861 1.00 0.00 O ATOM 1273 CB SER A 90 17.135 -13.422 2.360 1.00 0.00 C ATOM 1274 OG SER A 90 18.055 -12.830 3.261 1.00 0.00 O ATOM 0 H SER A 90 18.340 -11.141 1.121 1.00 0.00 H new ATOM 0 HA SER A 90 16.072 -12.938 0.556 1.00 0.00 H new ATOM 0 HB2 SER A 90 16.266 -13.784 2.909 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.594 -14.288 1.883 1.00 0.00 H new ATOM 0 HG SER A 90 18.323 -13.489 3.935 1.00 0.00 H new ATOM 1280 N VAL A 91 14.749 -11.701 2.556 1.00 0.00 N ATOM 1281 CA VAL A 91 13.867 -10.743 3.210 1.00 0.00 C ATOM 1282 C VAL A 91 14.042 -10.779 4.724 1.00 0.00 C ATOM 1283 O VAL A 91 13.741 -11.773 5.386 1.00 0.00 O ATOM 1284 CB VAL A 91 12.390 -11.016 2.869 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.489 -9.983 3.528 1.00 0.00 C ATOM 1286 CG2 VAL A 91 12.186 -11.030 1.361 1.00 0.00 C ATOM 0 H VAL A 91 14.441 -12.671 2.622 1.00 0.00 H new ATOM 0 HA VAL A 91 14.142 -9.756 2.839 1.00 0.00 H new ATOM 0 HB VAL A 91 12.121 -11.998 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.450 -10.193 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.615 -10.027 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.755 -8.988 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.137 -11.224 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.473 -10.064 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.802 -11.812 0.918 1.00 0.00 H new ATOM 1296 N PRO A 92 14.539 -9.668 5.289 1.00 0.00 N ATOM 1297 CA PRO A 92 14.765 -9.547 6.732 1.00 0.00 C ATOM 1298 C PRO A 92 13.461 -9.480 7.519 1.00 0.00 C ATOM 1299 O PRO A 92 12.503 -8.828 7.101 1.00 0.00 O ATOM 1300 CB PRO A 92 15.535 -8.230 6.861 1.00 0.00 C ATOM 1301 CG PRO A 92 15.143 -7.443 5.659 1.00 0.00 C ATOM 1302 CD PRO A 92 14.920 -8.446 4.562 1.00 0.00 C ATOM 0 HA PRO A 92 15.297 -10.409 7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.272 -7.706 7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.611 -8.402 6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.239 -6.865 5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.924 -6.733 5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.135 -8.125 3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.820 -8.597 3.967 1.00 0.00 H new ATOM 1310 N THR A 93 13.429 -10.158 8.662 1.00 0.00 N ATOM 1311 CA THR A 93 12.242 -10.176 9.508 1.00 0.00 C ATOM 1312 C THR A 93 12.397 -9.230 10.693 1.00 0.00 C ATOM 1313 O THR A 93 11.699 -9.361 11.698 1.00 0.00 O ATOM 1314 CB THR A 93 11.947 -11.594 10.032 1.00 0.00 C ATOM 1315 OG1 THR A 93 13.109 -12.130 10.676 1.00 0.00 O ATOM 1316 CG2 THR A 93 11.522 -12.513 8.897 1.00 0.00 C ATOM 0 H THR A 93 14.212 -10.702 9.023 1.00 0.00 H new ATOM 0 HA THR A 93 11.408 -9.845 8.889 1.00 0.00 H new ATOM 0 HB THR A 93 11.130 -11.529 10.751 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.913 -13.031 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 93 11.319 -13.509 9.292 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.621 -12.118 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 93 12.321 -12.572 8.158 1.00 0.00 H new ATOM 1324 N ASN A 94 13.315 -8.278 10.568 1.00 0.00 N ATOM 1325 CA ASN A 94 13.561 -7.309 11.631 1.00 0.00 C ATOM 1326 C ASN A 94 13.244 -5.893 11.160 1.00 0.00 C ATOM 1327 O ASN A 94 14.044 -4.976 11.336 1.00 0.00 O ATOM 1328 CB ASN A 94 15.016 -7.390 12.096 1.00 0.00 C ATOM 1329 CG ASN A 94 15.238 -8.495 13.112 1.00 0.00 C ATOM 1330 OD1 ASN A 94 14.297 -9.178 13.517 1.00 0.00 O ATOM 1331 ND2 ASN A 94 16.486 -8.674 13.528 1.00 0.00 N ATOM 0 H ASN A 94 13.901 -8.156 9.742 1.00 0.00 H new ATOM 0 HA ASN A 94 12.905 -7.550 12.468 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.661 -7.558 11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.309 -6.435 12.532 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.696 -9.402 14.211 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.234 -8.084 13.165 1.00 0.00 H new ATOM 1338 N GLY A 95 12.070 -5.724 10.559 1.00 0.00 N ATOM 1339 CA GLY A 95 11.667 -4.417 10.073 1.00 0.00 C ATOM 1340 C GLY A 95 12.639 -3.853 9.055 1.00 0.00 C ATOM 1341 O GLY A 95 13.680 -3.306 9.418 1.00 0.00 O ATOM 0 H GLY A 95 11.391 -6.468 10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.676 -4.489 9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.586 -3.729 10.914 1.00 0.00 H new ATOM 1345 N TRP A 96 12.299 -3.988 7.778 1.00 0.00 N ATOM 1346 CA TRP A 96 13.151 -3.488 6.705 1.00 0.00 C ATOM 1347 C TRP A 96 13.037 -1.973 6.580 1.00 0.00 C ATOM 1348 O TRP A 96 12.054 -1.376 7.019 1.00 0.00 O ATOM 1349 CB TRP A 96 12.776 -4.151 5.378 1.00 0.00 C ATOM 1350 CG TRP A 96 13.712 -3.811 4.258 1.00 0.00 C ATOM 1351 CD1 TRP A 96 15.020 -4.185 4.142 1.00 0.00 C ATOM 1352 CD2 TRP A 96 13.412 -3.027 3.099 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.551 -3.680 2.979 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.585 -2.967 2.321 1.00 0.00 C ATOM 1355 CE3 TRP A 96 12.266 -2.371 2.640 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 14.642 -2.277 1.113 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 12.325 -1.686 1.441 1.00 0.00 C ATOM 1358 CH2 TRP A 96 13.506 -1.644 0.689 1.00 0.00 C ATOM 0 H TRP A 96 11.441 -4.439 7.461 1.00 0.00 H new ATOM 0 HA TRP A 96 14.184 -3.737 6.949 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.760 -5.233 5.512 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.766 -3.849 5.102 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.558 -4.788 4.858 1.00 0.00 H new ATOM 0 HE1 TRP A 96 16.510 -3.815 2.658 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.351 -2.399 3.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.551 -2.243 0.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 11.446 -1.175 1.078 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.520 -1.101 -0.244 1.00 0.00 H new ATOM 1369 N LYS A 97 14.048 -1.356 5.978 1.00 0.00 N ATOM 1370 CA LYS A 97 14.061 0.091 5.794 1.00 0.00 C ATOM 1371 C LYS A 97 14.627 0.460 4.426 1.00 0.00 C ATOM 1372 O LYS A 97 15.752 0.088 4.087 1.00 0.00 O ATOM 1373 CB LYS A 97 14.886 0.759 6.896 1.00 0.00 C ATOM 1374 CG LYS A 97 14.447 2.179 7.208 1.00 0.00 C ATOM 1375 CD LYS A 97 14.719 2.540 8.659 1.00 0.00 C ATOM 1376 CE LYS A 97 16.179 2.321 9.025 1.00 0.00 C ATOM 1377 NZ LYS A 97 16.994 3.548 8.811 1.00 0.00 N ATOM 0 H LYS A 97 14.869 -1.835 5.609 1.00 0.00 H new ATOM 0 HA LYS A 97 13.033 0.449 5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.818 0.159 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.934 0.769 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.972 2.875 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.383 2.286 6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.452 3.583 8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.086 1.937 9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.250 2.015 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.585 1.506 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.597 3.422 7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.364 4.362 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.592 3.718 9.645 1.00 0.00 H new ATOM 1391 N CYS A 98 13.842 1.193 3.644 1.00 0.00 N ATOM 1392 CA CYS A 98 14.265 1.614 2.314 1.00 0.00 C ATOM 1393 C CYS A 98 15.151 2.854 2.391 1.00 0.00 C ATOM 1394 O CYS A 98 14.946 3.725 3.237 1.00 0.00 O ATOM 1395 CB CYS A 98 13.046 1.899 1.435 1.00 0.00 C ATOM 1396 SG CYS A 98 12.349 3.568 1.648 1.00 0.00 S ATOM 0 H CYS A 98 12.909 1.508 3.909 1.00 0.00 H new ATOM 0 HA CYS A 98 14.843 0.803 1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.326 1.764 0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.273 1.163 1.655 1.00 0.00 H new ATOM 1401 N LYS A 99 16.136 2.927 1.503 1.00 0.00 N ATOM 1402 CA LYS A 99 17.053 4.060 1.468 1.00 0.00 C ATOM 1403 C LYS A 99 16.315 5.366 1.746 1.00 0.00 C ATOM 1404 O LYS A 99 16.575 6.036 2.744 1.00 0.00 O ATOM 1405 CB LYS A 99 17.751 4.136 0.108 1.00 0.00 C ATOM 1406 CG LYS A 99 18.718 5.301 -0.016 1.00 0.00 C ATOM 1407 CD LYS A 99 18.014 6.562 -0.490 1.00 0.00 C ATOM 1408 CE LYS A 99 18.998 7.563 -1.075 1.00 0.00 C ATOM 1409 NZ LYS A 99 19.510 7.126 -2.403 1.00 0.00 N ATOM 0 H LYS A 99 16.320 2.214 0.797 1.00 0.00 H new ATOM 0 HA LYS A 99 17.802 3.913 2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.292 3.206 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.996 4.217 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.190 5.487 0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.513 5.042 -0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.267 6.303 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.482 7.018 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.512 8.534 -1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.834 7.694 -0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.953 7.933 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.214 6.372 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.721 6.767 -2.978 1.00 0.00 H new ATOM 1423 N ASN A 100 15.393 5.720 0.857 1.00 0.00 N ATOM 1424 CA ASN A 100 14.617 6.946 1.007 1.00 0.00 C ATOM 1425 C ASN A 100 14.306 7.216 2.476 1.00 0.00 C ATOM 1426 O ASN A 100 14.297 8.365 2.919 1.00 0.00 O ATOM 1427 CB ASN A 100 13.315 6.851 0.208 1.00 0.00 C ATOM 1428 CG ASN A 100 12.300 7.894 0.633 1.00 0.00 C ATOM 1429 OD1 ASN A 100 11.329 7.587 1.325 1.00 0.00 O ATOM 1430 ND2 ASN A 100 12.519 9.137 0.217 1.00 0.00 N ATOM 0 H ASN A 100 15.165 5.176 0.025 1.00 0.00 H new ATOM 0 HA ASN A 100 15.213 7.773 0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.533 6.971 -0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.886 5.857 0.334 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.869 9.881 0.470 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.337 9.347 -0.355 1.00 0.00 H new ATOM 1437 N CYS A 101 14.053 6.149 3.228 1.00 0.00 N ATOM 1438 CA CYS A 101 13.742 6.269 4.647 1.00 0.00 C ATOM 1439 C CYS A 101 15.019 6.319 5.481 1.00 0.00 C ATOM 1440 O CYS A 101 15.184 7.195 6.331 1.00 0.00 O ATOM 1441 CB CYS A 101 12.869 5.098 5.100 1.00 0.00 C ATOM 1442 SG CYS A 101 11.113 5.259 4.644 1.00 0.00 S ATOM 0 H CYS A 101 14.057 5.191 2.877 1.00 0.00 H new ATOM 0 HA CYS A 101 13.195 7.200 4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.262 4.177 4.669 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.945 5.000 6.183 1.00 0.00 H new ATOM 1447 N ARG A 102 15.920 5.374 5.231 1.00 0.00 N ATOM 1448 CA ARG A 102 17.181 5.310 5.959 1.00 0.00 C ATOM 1449 C ARG A 102 17.789 6.700 6.118 1.00 0.00 C ATOM 1450 O ARG A 102 18.419 7.001 7.132 1.00 0.00 O ATOM 1451 CB ARG A 102 18.166 4.390 5.235 1.00 0.00 C ATOM 1452 CG ARG A 102 17.572 3.047 4.845 1.00 0.00 C ATOM 1453 CD ARG A 102 18.655 2.038 4.498 1.00 0.00 C ATOM 1454 NE ARG A 102 18.187 1.039 3.541 1.00 0.00 N ATOM 1455 CZ ARG A 102 18.850 -0.077 3.260 1.00 0.00 C ATOM 1456 NH1 ARG A 102 20.004 -0.336 3.860 1.00 0.00 N ATOM 1457 NH2 ARG A 102 18.359 -0.938 2.378 1.00 0.00 N ATOM 0 H ARG A 102 15.800 4.643 4.530 1.00 0.00 H new ATOM 0 HA ARG A 102 16.979 4.906 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.527 4.892 4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 102 19.032 4.222 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 102 16.966 2.664 5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 102 16.907 3.176 3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 102 19.518 2.560 4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 102 18.991 1.539 5.407 1.00 0.00 H new ATOM 0 HE ARG A 102 17.302 1.208 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.385 0.323 4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 102 20.511 -1.194 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.471 -0.743 1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.869 -1.795 2.163 1.00 0.00 H new ATOM 1471 N ILE A 103 17.596 7.543 5.109 1.00 0.00 N ATOM 1472 CA ILE A 103 18.125 8.901 5.137 1.00 0.00 C ATOM 1473 C ILE A 103 18.124 9.462 6.555 1.00 0.00 C ATOM 1474 O ILE A 103 17.149 9.310 7.293 1.00 0.00 O ATOM 1475 CB ILE A 103 17.314 9.840 4.225 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.374 9.356 2.775 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.835 11.266 4.335 1.00 0.00 C ATOM 1478 CD1 ILE A 103 18.779 9.082 2.287 1.00 0.00 C ATOM 0 H ILE A 103 17.077 7.310 4.262 1.00 0.00 H new ATOM 0 HA ILE A 103 19.150 8.848 4.770 1.00 0.00 H new ATOM 0 HB ILE A 103 16.274 9.828 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.781 8.446 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 103 16.914 10.106 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 103 17.252 11.918 3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 103 17.745 11.608 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.882 11.295 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.745 8.743 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.371 9.995 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.235 8.310 2.907 1.00 0.00 H new ATOM 1490 N CYS A 104 19.220 10.112 6.929 1.00 0.00 N ATOM 1491 CA CYS A 104 19.346 10.697 8.259 1.00 0.00 C ATOM 1492 C CYS A 104 18.038 11.351 8.691 1.00 0.00 C ATOM 1493 O CYS A 104 17.559 12.288 8.050 1.00 0.00 O ATOM 1494 CB CYS A 104 20.477 11.727 8.281 1.00 0.00 C ATOM 1495 SG CYS A 104 21.097 12.108 9.937 1.00 0.00 S ATOM 0 H CYS A 104 20.034 10.247 6.330 1.00 0.00 H new ATOM 0 HA CYS A 104 19.580 9.896 8.961 1.00 0.00 H new ATOM 0 HB2 CYS A 104 21.302 11.358 7.672 1.00 0.00 H new ATOM 0 HB3 CYS A 104 20.125 12.648 7.816 1.00 0.00 H new ATOM 0 HG CYS A 104 22.052 12.986 9.851 1.00 0.00 H new ATOM 1501 N ILE A 105 17.464 10.852 9.781 1.00 0.00 N ATOM 1502 CA ILE A 105 16.211 11.387 10.297 1.00 0.00 C ATOM 1503 C ILE A 105 16.265 12.907 10.405 1.00 0.00 C ATOM 1504 O ILE A 105 17.279 13.475 10.811 1.00 0.00 O ATOM 1505 CB ILE A 105 15.874 10.798 11.680 1.00 0.00 C ATOM 1506 CG1 ILE A 105 14.495 11.274 12.140 1.00 0.00 C ATOM 1507 CG2 ILE A 105 16.940 11.185 12.694 1.00 0.00 C ATOM 1508 CD1 ILE A 105 13.357 10.426 11.617 1.00 0.00 C ATOM 0 H ILE A 105 17.847 10.078 10.323 1.00 0.00 H new ATOM 0 HA ILE A 105 15.432 11.102 9.590 1.00 0.00 H new ATOM 0 HB ILE A 105 15.853 9.711 11.600 1.00 0.00 H new ATOM 0 HG12 ILE A 105 14.465 11.276 13.230 1.00 0.00 H new ATOM 0 HG13 ILE A 105 14.348 12.304 11.816 1.00 0.00 H new ATOM 0 HG21 ILE A 105 16.688 10.762 13.666 1.00 0.00 H new ATOM 0 HG22 ILE A 105 17.907 10.800 12.370 1.00 0.00 H new ATOM 0 HG23 ILE A 105 16.990 12.271 12.773 1.00 0.00 H new ATOM 0 HD11 ILE A 105 12.410 10.822 11.983 1.00 0.00 H new ATOM 0 HD12 ILE A 105 13.361 10.444 10.527 1.00 0.00 H new ATOM 0 HD13 ILE A 105 13.479 9.400 11.963 1.00 0.00 H new ATOM 1520 N SER A 106 15.167 13.561 10.039 1.00 0.00 N ATOM 1521 CA SER A 106 15.090 15.016 10.092 1.00 0.00 C ATOM 1522 C SER A 106 16.153 15.649 9.200 1.00 0.00 C ATOM 1523 O SER A 106 16.819 16.606 9.593 1.00 0.00 O ATOM 1524 CB SER A 106 15.259 15.504 11.532 1.00 0.00 C ATOM 1525 OG SER A 106 14.054 15.361 12.264 1.00 0.00 O ATOM 0 H SER A 106 14.318 13.106 9.703 1.00 0.00 H new ATOM 0 HA SER A 106 14.108 15.317 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 106 16.054 14.939 12.020 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.566 16.550 11.531 1.00 0.00 H new ATOM 0 HG SER A 106 14.189 15.678 13.181 1.00 0.00 H new ATOM 1531 N GLY A 107 16.306 15.107 7.996 1.00 0.00 N ATOM 1532 CA GLY A 107 17.290 15.631 7.066 1.00 0.00 C ATOM 1533 C GLY A 107 16.755 16.789 6.248 1.00 0.00 C ATOM 1534 O GLY A 107 15.570 16.850 5.919 1.00 0.00 O ATOM 0 H GLY A 107 15.766 14.315 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 107 18.171 15.957 7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 107 17.612 14.834 6.395 1.00 0.00 H new ATOM 1538 N PRO A 108 17.641 17.737 5.907 1.00 0.00 N ATOM 1539 CA PRO A 108 17.274 18.917 5.119 1.00 0.00 C ATOM 1540 C PRO A 108 16.943 18.568 3.672 1.00 0.00 C ATOM 1541 O PRO A 108 17.829 18.508 2.820 1.00 0.00 O ATOM 1542 CB PRO A 108 18.528 19.792 5.185 1.00 0.00 C ATOM 1543 CG PRO A 108 19.645 18.835 5.424 1.00 0.00 C ATOM 1544 CD PRO A 108 19.069 17.729 6.265 1.00 0.00 C ATOM 0 HA PRO A 108 16.378 19.403 5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 108 18.673 20.346 4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 108 18.457 20.526 5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 108 20.035 18.447 4.483 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.474 19.323 5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 108 19.534 16.769 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.218 17.914 7.329 1.00 0.00 H new ATOM 1552 N SER A 109 15.662 18.338 3.401 1.00 0.00 N ATOM 1553 CA SER A 109 15.215 17.992 2.057 1.00 0.00 C ATOM 1554 C SER A 109 15.103 19.238 1.184 1.00 0.00 C ATOM 1555 O SER A 109 14.458 20.217 1.559 1.00 0.00 O ATOM 1556 CB SER A 109 13.866 17.273 2.115 1.00 0.00 C ATOM 1557 OG SER A 109 14.014 15.950 2.603 1.00 0.00 O ATOM 0 H SER A 109 14.916 18.385 4.095 1.00 0.00 H new ATOM 0 HA SER A 109 15.955 17.325 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.182 17.827 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.420 17.250 1.121 1.00 0.00 H new ATOM 0 HG SER A 109 13.138 15.512 2.632 1.00 0.00 H new ATOM 1563 N SER A 110 15.736 19.193 0.015 1.00 0.00 N ATOM 1564 CA SER A 110 15.711 20.319 -0.911 1.00 0.00 C ATOM 1565 C SER A 110 14.644 20.117 -1.982 1.00 0.00 C ATOM 1566 O SER A 110 13.746 20.942 -2.143 1.00 0.00 O ATOM 1567 CB SER A 110 17.082 20.496 -1.567 1.00 0.00 C ATOM 1568 OG SER A 110 17.517 19.292 -2.173 1.00 0.00 O ATOM 0 H SER A 110 16.272 18.389 -0.312 1.00 0.00 H new ATOM 0 HA SER A 110 15.467 21.219 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 110 17.031 21.286 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 110 17.808 20.813 -0.819 1.00 0.00 H new ATOM 0 HG SER A 110 18.394 19.432 -2.586 1.00 0.00 H new ATOM 1574 N GLY A 111 14.750 19.012 -2.714 1.00 0.00 N ATOM 1575 CA GLY A 111 13.788 18.721 -3.762 1.00 0.00 C ATOM 1576 C GLY A 111 12.649 17.847 -3.276 1.00 0.00 C ATOM 1577 O GLY A 111 11.857 18.299 -2.450 1.00 0.00 O ATOM 0 H GLY A 111 15.484 18.313 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 111 13.384 19.656 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.295 18.225 -4.589 1.00 0.00 H new TER 1581 GLY A 111 HETATM 1582 ZN ZN A 301 -11.281 -2.667 7.958 1.00 0.00 ZN HETATM 1583 ZN ZN A 501 -5.551 1.916 -4.478 1.00 0.00 ZN HETATM 1584 ZN ZN A 701 10.954 -3.533 -9.397 1.00 0.00 ZN HETATM 1585 ZN ZN A 901 10.723 3.469 3.189 1.00 0.00 ZN