USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 19 HIS HE2 : A 19 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 89 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 90 ZNZN :(H bumps) USER MOD Set 1.1: A 11 GLN : amide:sc= 1.03 K(o=4,f=1.2) USER MOD Set 1.2: A 66 TYR OH : rot -36:sc= 2.1 USER MOD Set 1.3: A 70 HIS : no HE2:sc= 0.872 K(o=4,f=-3.5) USER MOD Set 2.1: A 41 GLN : amide:sc= 1.86 K(o=2.9,f=-2.5) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 170:sc= 0.989 (180deg=0) USER MOD Set 3.1: A 25 ASN : amide:sc= 1.38 K(o=2.3,f=-1.6) USER MOD Set 3.2: A 27 ASN : amide:sc= 0.899 K(o=2.3,f=-1.6) USER MOD Single : A 1 SER N :NH3+ -102:sc= 0.145 (180deg=-0.726) USER MOD Single : A 1 SER OG : rot 180:sc= 0.571 USER MOD Single : A 3 GLN : amide:sc= 1.88 K(o=1.9,f=-12!) USER MOD Single : A 5 SER OG : rot 87:sc= 1.07 USER MOD Single : A 9 SER OG : rot 76:sc= 1.72 USER MOD Single : A 13 CYS SG : rot 77:sc= 0.089 USER MOD Single : A 15 GLN : amide:sc= 0.598 K(o=0.6,f=0) USER MOD Single : A 16 SER OG : rot -115:sc= -0.205 USER MOD Single : A 21 CYS SG : rot 77:sc= 0.069 USER MOD Single : A 22 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 32 SER OG : rot 180:sc= 0.12 USER MOD Single : A 34 GLN : amide:sc= 1.16 K(o=1.2,f=-0.58) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= 0.367 (180deg=0.208) USER MOD Single : A 43 THR OG1 : rot 76:sc= 1.09 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0176) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 0.783 (180deg=0.609) USER MOD Single : A 50 THR OG1 : rot 120:sc= -0.337 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 64 CYS SG : rot -118:sc= 0.989 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0394) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.0053) USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 1.75 (180deg=1.74) USER MOD Single : A 86 HIS : no HD1:sc= -0.0552 X(o=-0.055,f=-0.24) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.588 -8.282 21.443 1.00 0.00 N ATOM 2 CA SER A 1 3.644 -9.149 20.938 1.00 0.00 C ATOM 3 C SER A 1 4.142 -8.566 19.612 1.00 0.00 C ATOM 4 O SER A 1 3.364 -7.894 18.930 1.00 0.00 O ATOM 5 CB SER A 1 3.125 -10.585 20.766 1.00 0.00 C ATOM 6 OG SER A 1 2.277 -10.705 19.636 1.00 0.00 O ATOM 0 H1 SER A 1 2.967 -7.677 22.199 1.00 0.00 H new ATOM 0 H2 SER A 1 2.229 -7.686 20.670 1.00 0.00 H new ATOM 0 H3 SER A 1 1.813 -8.863 21.821 1.00 0.00 H new ATOM 0 HA SER A 1 4.472 -9.195 21.646 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.969 -11.267 20.661 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.582 -10.885 21.662 1.00 0.00 H new ATOM 0 HG SER A 1 1.967 -11.631 19.556 1.00 0.00 H new ATOM 12 N PRO A 2 5.401 -8.807 19.213 1.00 0.00 N ATOM 13 CA PRO A 2 5.919 -8.353 17.931 1.00 0.00 C ATOM 14 C PRO A 2 4.939 -8.678 16.797 1.00 0.00 C ATOM 15 O PRO A 2 4.542 -7.796 16.038 1.00 0.00 O ATOM 16 CB PRO A 2 7.260 -9.075 17.753 1.00 0.00 C ATOM 17 CG PRO A 2 7.718 -9.324 19.190 1.00 0.00 C ATOM 18 CD PRO A 2 6.411 -9.541 19.955 1.00 0.00 C ATOM 0 HA PRO A 2 6.050 -7.271 17.903 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.145 -10.007 17.200 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.976 -8.464 17.203 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.370 -10.195 19.257 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.277 -8.476 19.585 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.162 -10.601 20.014 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.490 -9.175 20.979 1.00 0.00 H new ATOM 26 N GLN A 3 4.527 -9.946 16.709 1.00 0.00 N ATOM 27 CA GLN A 3 3.589 -10.417 15.703 1.00 0.00 C ATOM 28 C GLN A 3 2.249 -9.685 15.795 1.00 0.00 C ATOM 29 O GLN A 3 1.767 -9.183 14.783 1.00 0.00 O ATOM 30 CB GLN A 3 3.400 -11.936 15.831 1.00 0.00 C ATOM 31 CG GLN A 3 4.659 -12.715 15.419 1.00 0.00 C ATOM 32 CD GLN A 3 5.004 -12.542 13.940 1.00 0.00 C ATOM 33 OE1 GLN A 3 4.134 -12.271 13.114 1.00 0.00 O ATOM 34 NE2 GLN A 3 6.275 -12.690 13.581 1.00 0.00 N ATOM 0 H GLN A 3 4.843 -10.678 17.345 1.00 0.00 H new ATOM 0 HA GLN A 3 4.005 -10.198 14.720 1.00 0.00 H new ATOM 0 HB2 GLN A 3 3.143 -12.183 16.861 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.561 -12.250 15.209 1.00 0.00 H new ATOM 0 HG2 GLN A 3 5.501 -12.382 16.025 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.512 -13.774 15.632 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.980 -12.915 14.283 1.00 0.00 H new ATOM 0 HE22 GLN A 3 6.545 -12.579 12.604 1.00 0.00 H new ATOM 43 N GLU A 4 1.647 -9.606 16.986 1.00 0.00 N ATOM 44 CA GLU A 4 0.373 -8.921 17.163 1.00 0.00 C ATOM 45 C GLU A 4 0.483 -7.474 16.677 1.00 0.00 C ATOM 46 O GLU A 4 -0.303 -7.024 15.847 1.00 0.00 O ATOM 47 CB GLU A 4 -0.022 -8.992 18.642 1.00 0.00 C ATOM 48 CG GLU A 4 -1.351 -8.293 18.957 1.00 0.00 C ATOM 49 CD GLU A 4 -1.700 -8.415 20.438 1.00 0.00 C ATOM 50 OE1 GLU A 4 -0.744 -8.445 21.243 1.00 0.00 O ATOM 51 OE2 GLU A 4 -2.912 -8.467 20.736 1.00 0.00 O ATOM 0 H GLU A 4 2.027 -10.011 17.841 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.403 -9.405 16.570 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.091 -10.038 18.941 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.768 -8.540 19.242 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.286 -7.240 18.681 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.147 -8.731 18.355 1.00 0.00 H new ATOM 58 N SER A 5 1.474 -6.752 17.196 1.00 0.00 N ATOM 59 CA SER A 5 1.737 -5.362 16.858 1.00 0.00 C ATOM 60 C SER A 5 1.936 -5.205 15.347 1.00 0.00 C ATOM 61 O SER A 5 1.390 -4.285 14.735 1.00 0.00 O ATOM 62 CB SER A 5 2.945 -4.873 17.661 1.00 0.00 C ATOM 63 OG SER A 5 2.764 -5.201 19.028 1.00 0.00 O ATOM 0 H SER A 5 2.130 -7.130 17.879 1.00 0.00 H new ATOM 0 HA SER A 5 0.880 -4.743 17.124 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.858 -5.333 17.283 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.060 -3.795 17.546 1.00 0.00 H new ATOM 0 HG SER A 5 3.095 -6.109 19.193 1.00 0.00 H new ATOM 69 N ARG A 6 2.700 -6.118 14.741 1.00 0.00 N ATOM 70 CA ARG A 6 2.928 -6.129 13.306 1.00 0.00 C ATOM 71 C ARG A 6 1.583 -6.276 12.590 1.00 0.00 C ATOM 72 O ARG A 6 1.268 -5.485 11.707 1.00 0.00 O ATOM 73 CB ARG A 6 3.914 -7.251 12.945 1.00 0.00 C ATOM 74 CG ARG A 6 4.342 -7.201 11.474 1.00 0.00 C ATOM 75 CD ARG A 6 5.417 -8.259 11.192 1.00 0.00 C ATOM 76 NE ARG A 6 4.884 -9.627 11.281 1.00 0.00 N ATOM 77 CZ ARG A 6 4.337 -10.314 10.267 1.00 0.00 C ATOM 78 NH1 ARG A 6 4.139 -9.739 9.077 1.00 0.00 N ATOM 79 NH2 ARG A 6 3.975 -11.584 10.462 1.00 0.00 N ATOM 0 H ARG A 6 3.176 -6.870 15.239 1.00 0.00 H new ATOM 0 HA ARG A 6 3.379 -5.192 12.980 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.796 -7.174 13.580 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.454 -8.217 13.154 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.478 -7.371 10.832 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.727 -6.210 11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.833 -8.096 10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.235 -8.142 11.903 1.00 0.00 H new ATOM 0 HE ARG A 6 4.934 -10.091 12.188 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.405 -8.765 8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.722 -10.274 8.315 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.115 -12.020 11.373 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.558 -12.118 9.700 1.00 0.00 H new ATOM 93 N ARG A 7 0.775 -7.264 12.985 1.00 0.00 N ATOM 94 CA ARG A 7 -0.540 -7.502 12.407 1.00 0.00 C ATOM 95 C ARG A 7 -1.397 -6.239 12.496 1.00 0.00 C ATOM 96 O ARG A 7 -1.929 -5.780 11.488 1.00 0.00 O ATOM 97 CB ARG A 7 -1.223 -8.698 13.094 1.00 0.00 C ATOM 98 CG ARG A 7 -2.132 -9.477 12.133 1.00 0.00 C ATOM 99 CD ARG A 7 -1.368 -10.326 11.103 1.00 0.00 C ATOM 100 NE ARG A 7 -0.530 -11.355 11.740 1.00 0.00 N ATOM 101 CZ ARG A 7 0.785 -11.267 12.002 1.00 0.00 C ATOM 102 NH1 ARG A 7 1.465 -10.146 11.746 1.00 0.00 N ATOM 103 NH2 ARG A 7 1.418 -12.315 12.535 1.00 0.00 N ATOM 0 H ARG A 7 1.023 -7.924 13.722 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.422 -7.751 11.352 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.462 -9.368 13.495 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.811 -8.342 13.940 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.785 -10.129 12.714 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.774 -8.772 11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.080 -10.805 10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.741 -9.676 10.493 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.994 -12.222 12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.986 -9.339 11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.463 -10.097 11.951 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.903 -13.172 12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.416 -12.259 12.738 1.00 0.00 H new ATOM 117 N LEU A 8 -1.507 -5.657 13.692 1.00 0.00 N ATOM 118 CA LEU A 8 -2.258 -4.427 13.907 1.00 0.00 C ATOM 119 C LEU A 8 -1.733 -3.331 12.978 1.00 0.00 C ATOM 120 O LEU A 8 -2.516 -2.613 12.361 1.00 0.00 O ATOM 121 CB LEU A 8 -2.175 -3.996 15.379 1.00 0.00 C ATOM 122 CG LEU A 8 -2.913 -4.947 16.339 1.00 0.00 C ATOM 123 CD1 LEU A 8 -2.537 -4.598 17.784 1.00 0.00 C ATOM 124 CD2 LEU A 8 -4.436 -4.851 16.184 1.00 0.00 C ATOM 0 H LEU A 8 -1.075 -6.029 14.538 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.308 -4.603 13.673 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.127 -3.936 15.673 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.592 -2.994 15.480 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.612 -5.966 16.095 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.057 -5.269 18.468 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.461 -4.708 17.917 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.825 -3.569 17.996 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.917 -5.539 16.880 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.760 -3.833 16.398 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.715 -5.114 15.164 1.00 0.00 H new ATOM 136 N SER A 9 -0.412 -3.206 12.847 1.00 0.00 N ATOM 137 CA SER A 9 0.185 -2.222 11.958 1.00 0.00 C ATOM 138 C SER A 9 -0.193 -2.480 10.498 1.00 0.00 C ATOM 139 O SER A 9 -0.546 -1.547 9.778 1.00 0.00 O ATOM 140 CB SER A 9 1.694 -2.140 12.187 1.00 0.00 C ATOM 141 OG SER A 9 1.931 -1.812 13.547 1.00 0.00 O ATOM 0 H SER A 9 0.264 -3.780 13.351 1.00 0.00 H new ATOM 0 HA SER A 9 -0.224 -1.240 12.197 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.166 -3.091 11.940 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.135 -1.386 11.534 1.00 0.00 H new ATOM 0 HG SER A 9 1.776 -2.602 14.106 1.00 0.00 H new ATOM 147 N ILE A 10 -0.162 -3.739 10.060 1.00 0.00 N ATOM 148 CA ILE A 10 -0.573 -4.097 8.709 1.00 0.00 C ATOM 149 C ILE A 10 -2.054 -3.728 8.538 1.00 0.00 C ATOM 150 O ILE A 10 -2.432 -3.142 7.530 1.00 0.00 O ATOM 151 CB ILE A 10 -0.251 -5.577 8.417 1.00 0.00 C ATOM 152 CG1 ILE A 10 1.276 -5.788 8.398 1.00 0.00 C ATOM 153 CG2 ILE A 10 -0.822 -5.993 7.055 1.00 0.00 C ATOM 154 CD1 ILE A 10 1.671 -7.267 8.440 1.00 0.00 C ATOM 0 H ILE A 10 0.146 -4.529 10.627 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.010 -3.534 7.964 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.703 -6.185 9.201 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.690 -5.331 7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.720 -5.274 9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.585 -7.040 6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.904 -5.860 7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.383 -5.374 6.272 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.757 -7.354 8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.284 -7.721 9.352 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.253 -7.780 7.574 1.00 0.00 H new ATOM 166 N GLN A 11 -2.903 -4.026 9.523 1.00 0.00 N ATOM 167 CA GLN A 11 -4.322 -3.688 9.475 1.00 0.00 C ATOM 168 C GLN A 11 -4.522 -2.162 9.433 1.00 0.00 C ATOM 169 O GLN A 11 -5.386 -1.654 8.715 1.00 0.00 O ATOM 170 CB GLN A 11 -5.047 -4.352 10.650 1.00 0.00 C ATOM 171 CG GLN A 11 -5.057 -5.879 10.466 1.00 0.00 C ATOM 172 CD GLN A 11 -5.517 -6.633 11.709 1.00 0.00 C ATOM 173 OE1 GLN A 11 -5.877 -6.040 12.719 1.00 0.00 O ATOM 174 NE2 GLN A 11 -5.506 -7.962 11.645 1.00 0.00 N ATOM 0 H GLN A 11 -2.623 -4.509 10.377 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.761 -4.076 8.556 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.552 -4.093 11.586 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.069 -3.979 10.716 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.711 -6.133 9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.055 -6.212 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.201 -8.429 10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.802 -8.514 12.450 1.00 0.00 H new ATOM 183 N ARG A 12 -3.724 -1.406 10.191 1.00 0.00 N ATOM 184 CA ARG A 12 -3.758 0.053 10.182 1.00 0.00 C ATOM 185 C ARG A 12 -3.397 0.530 8.770 1.00 0.00 C ATOM 186 O ARG A 12 -4.071 1.383 8.188 1.00 0.00 O ATOM 187 CB ARG A 12 -2.808 0.589 11.265 1.00 0.00 C ATOM 188 CG ARG A 12 -2.821 2.120 11.367 1.00 0.00 C ATOM 189 CD ARG A 12 -2.076 2.618 12.616 1.00 0.00 C ATOM 190 NE ARG A 12 -0.670 2.181 12.644 1.00 0.00 N ATOM 191 CZ ARG A 12 -0.170 1.133 13.323 1.00 0.00 C ATOM 192 NH1 ARG A 12 -0.953 0.364 14.088 1.00 0.00 N ATOM 193 NH2 ARG A 12 1.128 0.834 13.208 1.00 0.00 N ATOM 0 H ARG A 12 -3.032 -1.795 10.832 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.750 0.438 10.420 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.087 0.163 12.229 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.794 0.253 11.050 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.361 2.547 10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.852 2.473 11.394 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.116 3.707 12.649 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.585 2.253 13.508 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.009 2.728 12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.950 0.568 14.165 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.553 -0.426 14.595 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.730 1.399 12.609 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.516 0.041 13.719 1.00 0.00 H new ATOM 207 N CYS A 13 -2.348 -0.069 8.199 1.00 0.00 N ATOM 208 CA CYS A 13 -1.923 0.220 6.837 1.00 0.00 C ATOM 209 C CYS A 13 -3.072 -0.087 5.876 1.00 0.00 C ATOM 210 O CYS A 13 -3.363 0.734 5.012 1.00 0.00 O ATOM 211 CB CYS A 13 -0.644 -0.539 6.466 1.00 0.00 C ATOM 212 SG CYS A 13 0.770 0.186 7.328 1.00 0.00 S ATOM 0 H CYS A 13 -1.774 -0.767 8.672 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.676 1.279 6.760 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.744 -1.591 6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.485 -0.497 5.388 1.00 0.00 H new ATOM 0 HG CYS A 13 0.762 -0.194 8.571 1.00 0.00 H new ATOM 218 N ILE A 14 -3.751 -1.230 6.032 1.00 0.00 N ATOM 219 CA ILE A 14 -4.905 -1.579 5.209 1.00 0.00 C ATOM 220 C ILE A 14 -5.942 -0.467 5.282 1.00 0.00 C ATOM 221 O ILE A 14 -6.420 -0.020 4.247 1.00 0.00 O ATOM 222 CB ILE A 14 -5.520 -2.941 5.596 1.00 0.00 C ATOM 223 CG1 ILE A 14 -4.613 -4.046 5.041 1.00 0.00 C ATOM 224 CG2 ILE A 14 -6.949 -3.073 5.034 1.00 0.00 C ATOM 225 CD1 ILE A 14 -5.040 -5.461 5.426 1.00 0.00 C ATOM 0 H ILE A 14 -3.513 -1.934 6.731 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.560 -1.683 4.180 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.590 -3.025 6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.590 -3.969 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.596 -3.877 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.364 -4.040 5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.574 -2.277 5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.921 -2.996 3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.346 -6.181 4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.035 -5.560 6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.044 -5.653 5.049 1.00 0.00 H new ATOM 237 N GLN A 15 -6.312 -0.019 6.481 1.00 0.00 N ATOM 238 CA GLN A 15 -7.304 1.042 6.605 1.00 0.00 C ATOM 239 C GLN A 15 -6.849 2.282 5.822 1.00 0.00 C ATOM 240 O GLN A 15 -7.621 2.838 5.040 1.00 0.00 O ATOM 241 CB GLN A 15 -7.578 1.320 8.087 1.00 0.00 C ATOM 242 CG GLN A 15 -8.410 0.171 8.679 1.00 0.00 C ATOM 243 CD GLN A 15 -8.266 0.086 10.192 1.00 0.00 C ATOM 244 OE1 GLN A 15 -9.083 0.611 10.939 1.00 0.00 O ATOM 245 NE2 GLN A 15 -7.217 -0.586 10.652 1.00 0.00 N ATOM 0 H GLN A 15 -5.945 -0.369 7.366 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.251 0.732 6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.638 1.419 8.629 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.111 2.264 8.198 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.460 0.313 8.422 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.097 -0.772 8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.557 -1.010 10.000 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.071 -0.678 11.657 1.00 0.00 H new ATOM 254 N SER A 16 -5.587 2.689 5.990 1.00 0.00 N ATOM 255 CA SER A 16 -5.038 3.826 5.254 1.00 0.00 C ATOM 256 C SER A 16 -5.105 3.593 3.736 1.00 0.00 C ATOM 257 O SER A 16 -5.464 4.495 2.982 1.00 0.00 O ATOM 258 CB SER A 16 -3.603 4.108 5.719 1.00 0.00 C ATOM 259 OG SER A 16 -3.138 5.346 5.209 1.00 0.00 O ATOM 0 H SER A 16 -4.928 2.246 6.630 1.00 0.00 H new ATOM 0 HA SER A 16 -5.646 4.705 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.566 4.122 6.808 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.945 3.304 5.388 1.00 0.00 H new ATOM 0 HG SER A 16 -2.392 5.187 4.594 1.00 0.00 H new ATOM 265 N LEU A 17 -4.747 2.390 3.282 1.00 0.00 N ATOM 266 CA LEU A 17 -4.760 1.994 1.880 1.00 0.00 C ATOM 267 C LEU A 17 -6.185 2.101 1.346 1.00 0.00 C ATOM 268 O LEU A 17 -6.436 2.845 0.403 1.00 0.00 O ATOM 269 CB LEU A 17 -4.209 0.566 1.772 1.00 0.00 C ATOM 270 CG LEU A 17 -4.449 -0.123 0.423 1.00 0.00 C ATOM 271 CD1 LEU A 17 -3.525 0.418 -0.668 1.00 0.00 C ATOM 272 CD2 LEU A 17 -4.231 -1.621 0.638 1.00 0.00 C ATOM 0 H LEU A 17 -4.431 1.645 3.902 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.130 2.649 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.136 0.591 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.659 -0.041 2.558 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.464 0.075 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.729 -0.098 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.699 1.486 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.487 0.252 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.392 -2.151 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.211 -1.795 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.934 -1.987 1.387 1.00 0.00 H new ATOM 284 N VAL A 18 -7.111 1.353 1.946 1.00 0.00 N ATOM 285 CA VAL A 18 -8.530 1.346 1.618 1.00 0.00 C ATOM 286 C VAL A 18 -9.032 2.787 1.503 1.00 0.00 C ATOM 287 O VAL A 18 -9.665 3.150 0.508 1.00 0.00 O ATOM 288 CB VAL A 18 -9.297 0.557 2.699 1.00 0.00 C ATOM 289 CG1 VAL A 18 -10.815 0.763 2.610 1.00 0.00 C ATOM 290 CG2 VAL A 18 -9.005 -0.945 2.595 1.00 0.00 C ATOM 0 H VAL A 18 -6.880 0.711 2.704 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.698 0.856 0.659 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.948 0.943 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.307 0.186 3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.047 1.820 2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.171 0.429 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.558 -1.478 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.312 -1.308 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.937 -1.118 2.728 1.00 0.00 H new ATOM 300 N HIS A 19 -8.743 3.611 2.516 1.00 0.00 N ATOM 301 CA HIS A 19 -9.113 5.016 2.509 1.00 0.00 C ATOM 302 C HIS A 19 -8.557 5.671 1.241 1.00 0.00 C ATOM 303 O HIS A 19 -9.315 6.177 0.421 1.00 0.00 O ATOM 304 CB HIS A 19 -8.600 5.698 3.795 1.00 0.00 C ATOM 305 CG HIS A 19 -8.717 7.205 3.795 1.00 0.00 C ATOM 306 ND1 HIS A 19 -9.676 7.953 4.440 1.00 0.00 N ATOM 307 CD2 HIS A 19 -7.936 8.073 3.078 1.00 0.00 C ATOM 308 CE1 HIS A 19 -9.497 9.236 4.079 1.00 0.00 C ATOM 309 NE2 HIS A 19 -8.476 9.351 3.216 1.00 0.00 N ATOM 0 H HIS A 19 -8.248 3.317 3.358 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.197 5.127 2.497 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.154 5.303 4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.554 5.427 3.942 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -10.391 7.599 5.075 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.057 7.813 2.507 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.094 10.062 4.436 1.00 0.00 H new ATOM 317 N ALA A 20 -7.233 5.669 1.086 1.00 0.00 N ATOM 318 CA ALA A 20 -6.523 6.304 -0.018 1.00 0.00 C ATOM 319 C ALA A 20 -7.015 5.874 -1.402 1.00 0.00 C ATOM 320 O ALA A 20 -7.128 6.692 -2.314 1.00 0.00 O ATOM 321 CB ALA A 20 -5.035 6.034 0.162 1.00 0.00 C ATOM 0 H ALA A 20 -6.607 5.210 1.748 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.725 7.375 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.480 6.499 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.702 6.451 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.857 4.959 0.155 1.00 0.00 H new ATOM 327 N CYS A 21 -7.306 4.585 -1.560 1.00 0.00 N ATOM 328 CA CYS A 21 -7.782 4.018 -2.814 1.00 0.00 C ATOM 329 C CYS A 21 -9.093 4.680 -3.224 1.00 0.00 C ATOM 330 O CYS A 21 -9.305 4.953 -4.400 1.00 0.00 O ATOM 331 CB CYS A 21 -7.965 2.504 -2.684 1.00 0.00 C ATOM 332 SG CYS A 21 -6.344 1.703 -2.617 1.00 0.00 S ATOM 0 H CYS A 21 -7.216 3.899 -0.811 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.037 4.207 -3.587 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.534 2.272 -1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.536 2.122 -3.530 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.835 1.852 -1.430 1.00 0.00 H new ATOM 338 N GLN A 22 -9.970 4.948 -2.258 1.00 0.00 N ATOM 339 CA GLN A 22 -11.254 5.596 -2.508 1.00 0.00 C ATOM 340 C GLN A 22 -11.106 7.122 -2.572 1.00 0.00 C ATOM 341 O GLN A 22 -11.762 7.788 -3.372 1.00 0.00 O ATOM 342 CB GLN A 22 -12.225 5.184 -1.398 1.00 0.00 C ATOM 343 CG GLN A 22 -12.558 3.690 -1.501 1.00 0.00 C ATOM 344 CD GLN A 22 -13.247 3.197 -0.238 1.00 0.00 C ATOM 345 OE1 GLN A 22 -14.451 2.966 -0.220 1.00 0.00 O ATOM 346 NE2 GLN A 22 -12.478 3.019 0.829 1.00 0.00 N ATOM 0 H GLN A 22 -9.808 4.721 -1.277 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.641 5.277 -3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.785 5.398 -0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.140 5.772 -1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.202 3.516 -2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.644 3.120 -1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.480 3.222 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.885 2.680 1.700 1.00 0.00 H new ATOM 355 N CYS A 23 -10.273 7.679 -1.694 1.00 0.00 N ATOM 356 CA CYS A 23 -10.043 9.100 -1.524 1.00 0.00 C ATOM 357 C CYS A 23 -9.397 9.756 -2.747 1.00 0.00 C ATOM 358 O CYS A 23 -8.226 10.125 -2.703 1.00 0.00 O ATOM 359 CB CYS A 23 -9.174 9.314 -0.278 1.00 0.00 C ATOM 360 SG CYS A 23 -8.939 11.046 0.186 1.00 0.00 S ATOM 0 H CYS A 23 -9.715 7.116 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.013 9.582 -1.402 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.627 8.785 0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.197 8.862 -0.450 1.00 0.00 H new ATOM 365 N ARG A 24 -10.152 10.006 -3.817 1.00 0.00 N ATOM 366 CA ARG A 24 -9.640 10.702 -4.991 1.00 0.00 C ATOM 367 C ARG A 24 -9.722 12.205 -4.731 1.00 0.00 C ATOM 368 O ARG A 24 -10.266 12.967 -5.525 1.00 0.00 O ATOM 369 CB ARG A 24 -10.384 10.247 -6.258 1.00 0.00 C ATOM 370 CG ARG A 24 -9.539 10.456 -7.527 1.00 0.00 C ATOM 371 CD ARG A 24 -8.614 9.275 -7.875 1.00 0.00 C ATOM 372 NE ARG A 24 -7.688 8.922 -6.784 1.00 0.00 N ATOM 373 CZ ARG A 24 -7.891 7.981 -5.844 1.00 0.00 C ATOM 374 NH1 ARG A 24 -8.957 7.179 -5.904 1.00 0.00 N ATOM 375 NH2 ARG A 24 -7.025 7.866 -4.830 1.00 0.00 N ATOM 0 H ARG A 24 -11.132 9.732 -3.892 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.594 10.454 -5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.646 9.193 -6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.318 10.801 -6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.208 10.639 -8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.932 11.353 -7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.223 8.405 -8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.038 9.524 -8.766 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.811 9.440 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.626 7.277 -6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.102 6.469 -5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.219 8.489 -4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.171 7.156 -4.113 1.00 0.00 H new ATOM 389 N ASN A 25 -9.160 12.619 -3.593 1.00 0.00 N ATOM 390 CA ASN A 25 -9.099 13.984 -3.126 1.00 0.00 C ATOM 391 C ASN A 25 -7.628 14.252 -2.832 1.00 0.00 C ATOM 392 O ASN A 25 -7.163 14.054 -1.713 1.00 0.00 O ATOM 393 CB ASN A 25 -9.988 14.162 -1.891 1.00 0.00 C ATOM 394 CG ASN A 25 -9.950 15.608 -1.417 1.00 0.00 C ATOM 395 OD1 ASN A 25 -10.532 16.488 -2.045 1.00 0.00 O ATOM 396 ND2 ASN A 25 -9.236 15.879 -0.331 1.00 0.00 N ATOM 0 H ASN A 25 -8.715 11.968 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.473 14.696 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.013 13.877 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.650 13.501 -1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.160 16.840 0.003 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.764 15.126 0.170 1.00 0.00 H new ATOM 403 N ALA A 26 -6.884 14.659 -3.863 1.00 0.00 N ATOM 404 CA ALA A 26 -5.439 14.879 -3.833 1.00 0.00 C ATOM 405 C ALA A 26 -4.967 15.732 -2.659 1.00 0.00 C ATOM 406 O ALA A 26 -3.856 15.574 -2.162 1.00 0.00 O ATOM 407 CB ALA A 26 -5.021 15.536 -5.151 1.00 0.00 C ATOM 0 H ALA A 26 -7.290 14.852 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.967 13.905 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.945 15.708 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.280 14.881 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.540 16.488 -5.264 1.00 0.00 H new ATOM 413 N ASN A 27 -5.837 16.639 -2.233 1.00 0.00 N ATOM 414 CA ASN A 27 -5.586 17.588 -1.150 1.00 0.00 C ATOM 415 C ASN A 27 -5.852 17.000 0.242 1.00 0.00 C ATOM 416 O ASN A 27 -5.761 17.728 1.228 1.00 0.00 O ATOM 417 CB ASN A 27 -6.405 18.867 -1.376 1.00 0.00 C ATOM 418 CG ASN A 27 -7.893 18.555 -1.358 1.00 0.00 C ATOM 419 OD1 ASN A 27 -8.527 18.551 -0.307 1.00 0.00 O ATOM 420 ND2 ASN A 27 -8.461 18.251 -2.524 1.00 0.00 N ATOM 0 H ASN A 27 -6.766 16.739 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.523 17.829 -1.173 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.171 19.598 -0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.133 19.316 -2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.450 18.006 -2.561 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.907 18.264 -3.380 1.00 0.00 H new ATOM 427 N CYS A 28 -6.181 15.708 0.350 1.00 0.00 N ATOM 428 CA CYS A 28 -6.440 15.076 1.639 1.00 0.00 C ATOM 429 C CYS A 28 -5.237 15.246 2.573 1.00 0.00 C ATOM 430 O CYS A 28 -4.120 14.861 2.233 1.00 0.00 O ATOM 431 CB CYS A 28 -6.772 13.597 1.442 1.00 0.00 C ATOM 432 SG CYS A 28 -7.203 12.733 2.973 1.00 0.00 S ATOM 0 H CYS A 28 -6.273 15.080 -0.448 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.298 15.563 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.603 13.511 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.916 13.100 0.984 1.00 0.00 H new ATOM 437 N SER A 29 -5.465 15.833 3.749 1.00 0.00 N ATOM 438 CA SER A 29 -4.449 16.139 4.742 1.00 0.00 C ATOM 439 C SER A 29 -3.762 14.900 5.313 1.00 0.00 C ATOM 440 O SER A 29 -2.625 14.996 5.765 1.00 0.00 O ATOM 441 CB SER A 29 -5.111 16.955 5.855 1.00 0.00 C ATOM 442 OG SER A 29 -6.094 17.808 5.292 1.00 0.00 O ATOM 0 H SER A 29 -6.400 16.117 4.041 1.00 0.00 H new ATOM 0 HA SER A 29 -3.656 16.707 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.568 16.289 6.587 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.362 17.544 6.384 1.00 0.00 H new ATOM 0 HG SER A 29 -6.520 18.330 6.003 1.00 0.00 H new ATOM 448 N LEU A 30 -4.454 13.756 5.324 1.00 0.00 N ATOM 449 CA LEU A 30 -3.920 12.510 5.866 1.00 0.00 C ATOM 450 C LEU A 30 -2.547 12.184 5.252 1.00 0.00 C ATOM 451 O LEU A 30 -2.479 11.858 4.064 1.00 0.00 O ATOM 452 CB LEU A 30 -4.888 11.346 5.600 1.00 0.00 C ATOM 453 CG LEU A 30 -5.882 11.060 6.729 1.00 0.00 C ATOM 454 CD1 LEU A 30 -7.013 10.194 6.169 1.00 0.00 C ATOM 455 CD2 LEU A 30 -5.191 10.290 7.864 1.00 0.00 C ATOM 0 H LEU A 30 -5.401 13.672 4.956 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.802 12.642 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.447 11.559 4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.305 10.444 5.412 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.267 12.002 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.732 9.979 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.512 10.726 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.601 9.259 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.909 10.093 8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.806 9.345 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.367 10.885 8.258 1.00 0.00 H new ATOM 467 N PRO A 31 -1.454 12.218 6.032 1.00 0.00 N ATOM 468 CA PRO A 31 -0.138 11.884 5.514 1.00 0.00 C ATOM 469 C PRO A 31 -0.137 10.419 5.082 1.00 0.00 C ATOM 470 O PRO A 31 0.415 10.076 4.043 1.00 0.00 O ATOM 471 CB PRO A 31 0.851 12.195 6.640 1.00 0.00 C ATOM 472 CG PRO A 31 0.006 12.114 7.910 1.00 0.00 C ATOM 473 CD PRO A 31 -1.392 12.533 7.450 1.00 0.00 C ATOM 0 HA PRO A 31 0.144 12.458 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.671 11.477 6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.295 13.183 6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.005 11.106 8.325 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.387 12.778 8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.163 11.997 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.558 13.597 7.622 1.00 0.00 H new ATOM 481 N SER A 32 -0.789 9.549 5.857 1.00 0.00 N ATOM 482 CA SER A 32 -0.927 8.137 5.558 1.00 0.00 C ATOM 483 C SER A 32 -1.604 7.933 4.195 1.00 0.00 C ATOM 484 O SER A 32 -1.205 7.072 3.410 1.00 0.00 O ATOM 485 CB SER A 32 -1.742 7.505 6.694 1.00 0.00 C ATOM 486 OG SER A 32 -1.506 8.208 7.905 1.00 0.00 O ATOM 0 H SER A 32 -1.243 9.822 6.729 1.00 0.00 H new ATOM 0 HA SER A 32 0.050 7.659 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.804 7.530 6.449 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.467 6.457 6.812 1.00 0.00 H new ATOM 0 HG SER A 32 -2.030 7.802 8.627 1.00 0.00 H new ATOM 492 N CYS A 33 -2.621 8.750 3.903 1.00 0.00 N ATOM 493 CA CYS A 33 -3.343 8.701 2.640 1.00 0.00 C ATOM 494 C CYS A 33 -2.401 9.104 1.509 1.00 0.00 C ATOM 495 O CYS A 33 -2.280 8.386 0.519 1.00 0.00 O ATOM 496 CB CYS A 33 -4.596 9.574 2.703 1.00 0.00 C ATOM 497 SG CYS A 33 -5.515 9.821 1.167 1.00 0.00 S ATOM 0 H CYS A 33 -2.964 9.466 4.544 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.686 7.685 2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.275 9.137 3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.305 10.553 3.083 1.00 0.00 H new ATOM 502 N GLN A 34 -1.714 10.241 1.670 1.00 0.00 N ATOM 503 CA GLN A 34 -0.740 10.722 0.695 1.00 0.00 C ATOM 504 C GLN A 34 0.309 9.635 0.423 1.00 0.00 C ATOM 505 O GLN A 34 0.614 9.322 -0.728 1.00 0.00 O ATOM 506 CB GLN A 34 -0.078 12.005 1.214 1.00 0.00 C ATOM 507 CG GLN A 34 -1.067 13.177 1.318 1.00 0.00 C ATOM 508 CD GLN A 34 -0.504 14.324 2.154 1.00 0.00 C ATOM 509 OE1 GLN A 34 0.698 14.414 2.384 1.00 0.00 O ATOM 510 NE2 GLN A 34 -1.370 15.211 2.631 1.00 0.00 N ATOM 0 H GLN A 34 -1.821 10.850 2.481 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.246 10.950 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.358 11.814 2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.740 12.282 0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.307 13.540 0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.999 12.827 1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.364 15.114 2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.041 15.989 3.203 1.00 0.00 H new ATOM 519 N LYS A 35 0.851 9.045 1.492 1.00 0.00 N ATOM 520 CA LYS A 35 1.837 7.980 1.419 1.00 0.00 C ATOM 521 C LYS A 35 1.279 6.818 0.598 1.00 0.00 C ATOM 522 O LYS A 35 1.908 6.382 -0.363 1.00 0.00 O ATOM 523 CB LYS A 35 2.226 7.537 2.837 1.00 0.00 C ATOM 524 CG LYS A 35 3.400 6.546 2.821 1.00 0.00 C ATOM 525 CD LYS A 35 3.815 6.112 4.233 1.00 0.00 C ATOM 526 CE LYS A 35 2.749 5.236 4.908 1.00 0.00 C ATOM 527 NZ LYS A 35 3.227 4.711 6.199 1.00 0.00 N ATOM 0 H LYS A 35 0.607 9.304 2.448 1.00 0.00 H new ATOM 0 HA LYS A 35 2.738 8.340 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.496 8.411 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.366 7.075 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.122 5.667 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.252 7.004 2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.755 5.562 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.997 6.996 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.841 5.819 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.487 4.407 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.485 4.123 6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.079 4.135 6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.454 5.503 6.833 1.00 0.00 H new ATOM 541 N MET A 36 0.099 6.313 0.966 1.00 0.00 N ATOM 542 CA MET A 36 -0.515 5.208 0.246 1.00 0.00 C ATOM 543 C MET A 36 -0.711 5.561 -1.228 1.00 0.00 C ATOM 544 O MET A 36 -0.344 4.767 -2.090 1.00 0.00 O ATOM 545 CB MET A 36 -1.808 4.764 0.939 1.00 0.00 C ATOM 546 CG MET A 36 -1.477 3.994 2.224 1.00 0.00 C ATOM 547 SD MET A 36 -0.689 2.383 1.964 1.00 0.00 S ATOM 548 CE MET A 36 -0.273 1.959 3.665 1.00 0.00 C ATOM 0 H MET A 36 -0.445 6.655 1.758 1.00 0.00 H new ATOM 0 HA MET A 36 0.158 4.351 0.267 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.421 5.634 1.174 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.392 4.134 0.268 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.820 4.608 2.840 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.397 3.845 2.789 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.223 0.989 3.687 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.394 2.717 4.076 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.184 1.915 4.262 1.00 0.00 H new ATOM 558 N LYS A 37 -1.236 6.749 -1.539 1.00 0.00 N ATOM 559 CA LYS A 37 -1.378 7.184 -2.925 1.00 0.00 C ATOM 560 C LYS A 37 -0.024 7.101 -3.631 1.00 0.00 C ATOM 561 O LYS A 37 0.071 6.541 -4.724 1.00 0.00 O ATOM 562 CB LYS A 37 -1.918 8.618 -2.992 1.00 0.00 C ATOM 563 CG LYS A 37 -3.399 8.680 -2.624 1.00 0.00 C ATOM 564 CD LYS A 37 -3.832 10.132 -2.415 1.00 0.00 C ATOM 565 CE LYS A 37 -5.357 10.202 -2.347 1.00 0.00 C ATOM 566 NZ LYS A 37 -5.817 11.490 -1.805 1.00 0.00 N ATOM 0 H LYS A 37 -1.568 7.423 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.089 6.527 -3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.348 9.254 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.776 9.014 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.997 8.225 -3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.580 8.105 -1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.398 10.524 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.464 10.754 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.773 10.057 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.732 9.390 -1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.808 11.647 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.741 11.477 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.227 12.257 -2.186 1.00 0.00 H new ATOM 580 N ARG A 38 1.022 7.654 -3.009 1.00 0.00 N ATOM 581 CA ARG A 38 2.363 7.624 -3.569 1.00 0.00 C ATOM 582 C ARG A 38 2.789 6.179 -3.843 1.00 0.00 C ATOM 583 O ARG A 38 3.233 5.878 -4.944 1.00 0.00 O ATOM 584 CB ARG A 38 3.346 8.362 -2.648 1.00 0.00 C ATOM 585 CG ARG A 38 4.728 8.490 -3.300 1.00 0.00 C ATOM 586 CD ARG A 38 5.678 9.291 -2.406 1.00 0.00 C ATOM 587 NE ARG A 38 7.013 9.376 -3.013 1.00 0.00 N ATOM 588 CZ ARG A 38 8.062 10.007 -2.468 1.00 0.00 C ATOM 589 NH1 ARG A 38 7.942 10.629 -1.291 1.00 0.00 N ATOM 590 NH2 ARG A 38 9.235 10.009 -3.110 1.00 0.00 N ATOM 0 H ARG A 38 0.957 8.130 -2.109 1.00 0.00 H new ATOM 0 HA ARG A 38 2.368 8.149 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.957 9.354 -2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.435 7.826 -1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.142 7.498 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.634 8.980 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.280 10.293 -2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.748 8.819 -1.426 1.00 0.00 H new ATOM 0 HE ARG A 38 7.152 8.921 -3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.047 10.625 -0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.745 11.107 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.326 9.533 -4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.039 10.487 -2.702 1.00 0.00 H new ATOM 604 N VAL A 39 2.647 5.284 -2.863 1.00 0.00 N ATOM 605 CA VAL A 39 3.010 3.874 -2.995 1.00 0.00 C ATOM 606 C VAL A 39 2.232 3.203 -4.138 1.00 0.00 C ATOM 607 O VAL A 39 2.813 2.473 -4.943 1.00 0.00 O ATOM 608 CB VAL A 39 2.813 3.164 -1.642 1.00 0.00 C ATOM 609 CG1 VAL A 39 2.940 1.641 -1.765 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.853 3.650 -0.623 1.00 0.00 C ATOM 0 H VAL A 39 2.272 5.522 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 39 4.063 3.794 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 39 1.805 3.409 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.794 1.183 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.185 1.268 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.932 1.388 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.699 3.138 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.855 3.433 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.745 4.725 -0.477 1.00 0.00 H new ATOM 620 N VAL A 40 0.919 3.434 -4.209 1.00 0.00 N ATOM 621 CA VAL A 40 0.051 2.868 -5.234 1.00 0.00 C ATOM 622 C VAL A 40 0.537 3.315 -6.620 1.00 0.00 C ATOM 623 O VAL A 40 0.877 2.483 -7.466 1.00 0.00 O ATOM 624 CB VAL A 40 -1.411 3.271 -4.947 1.00 0.00 C ATOM 625 CG1 VAL A 40 -2.346 2.968 -6.123 1.00 0.00 C ATOM 626 CG2 VAL A 40 -1.945 2.527 -3.715 1.00 0.00 C ATOM 0 H VAL A 40 0.425 4.029 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 40 0.092 1.779 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.399 4.347 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.361 3.271 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.014 3.518 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.329 1.899 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.977 2.825 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.904 1.452 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.334 2.775 -2.847 1.00 0.00 H new ATOM 636 N GLN A 41 0.586 4.633 -6.845 1.00 0.00 N ATOM 637 CA GLN A 41 1.035 5.219 -8.104 1.00 0.00 C ATOM 638 C GLN A 41 2.438 4.715 -8.448 1.00 0.00 C ATOM 639 O GLN A 41 2.678 4.265 -9.570 1.00 0.00 O ATOM 640 CB GLN A 41 0.988 6.753 -8.022 1.00 0.00 C ATOM 641 CG GLN A 41 -0.309 7.353 -8.591 1.00 0.00 C ATOM 642 CD GLN A 41 -1.603 6.733 -8.063 1.00 0.00 C ATOM 643 OE1 GLN A 41 -2.462 6.335 -8.841 1.00 0.00 O ATOM 644 NE2 GLN A 41 -1.768 6.630 -6.750 1.00 0.00 N ATOM 0 H GLN A 41 0.311 5.326 -6.149 1.00 0.00 H new ATOM 0 HA GLN A 41 0.364 4.909 -8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.095 7.058 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.839 7.165 -8.564 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.322 8.421 -8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.292 7.249 -9.676 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.043 6.967 -6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.620 6.214 -6.374 1.00 0.00 H new ATOM 653 N HIS A 42 3.350 4.770 -7.472 1.00 0.00 N ATOM 654 CA HIS A 42 4.712 4.285 -7.617 1.00 0.00 C ATOM 655 C HIS A 42 4.668 2.869 -8.175 1.00 0.00 C ATOM 656 O HIS A 42 5.284 2.600 -9.199 1.00 0.00 O ATOM 657 CB HIS A 42 5.467 4.321 -6.273 1.00 0.00 C ATOM 658 CG HIS A 42 6.771 3.559 -6.308 1.00 0.00 C ATOM 659 ND1 HIS A 42 7.956 4.039 -6.821 1.00 0.00 N ATOM 660 CD2 HIS A 42 6.876 2.192 -6.254 1.00 0.00 C ATOM 661 CE1 HIS A 42 8.734 2.980 -7.103 1.00 0.00 C ATOM 662 NE2 HIS A 42 8.104 1.835 -6.800 1.00 0.00 N ATOM 0 H HIS A 42 3.153 5.159 -6.550 1.00 0.00 H new ATOM 0 HA HIS A 42 5.253 4.936 -8.304 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.666 5.358 -6.002 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.830 3.904 -5.493 1.00 0.00 H new ATOM 0 HD1 HIS A 42 8.199 5.020 -6.961 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.136 1.513 -5.857 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.730 3.042 -7.517 1.00 0.00 H new ATOM 670 N THR A 43 3.967 1.963 -7.494 1.00 0.00 N ATOM 671 CA THR A 43 3.916 0.568 -7.898 1.00 0.00 C ATOM 672 C THR A 43 3.422 0.419 -9.334 1.00 0.00 C ATOM 673 O THR A 43 4.029 -0.303 -10.122 1.00 0.00 O ATOM 674 CB THR A 43 3.072 -0.239 -6.911 1.00 0.00 C ATOM 675 OG1 THR A 43 3.621 -0.110 -5.615 1.00 0.00 O ATOM 676 CG2 THR A 43 3.073 -1.710 -7.339 1.00 0.00 C ATOM 0 H THR A 43 3.426 2.177 -6.656 1.00 0.00 H new ATOM 0 HA THR A 43 4.929 0.165 -7.877 1.00 0.00 H new ATOM 0 HB THR A 43 2.047 0.132 -6.902 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.393 0.770 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.473 -2.293 -6.640 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.651 -1.798 -8.340 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.096 -2.087 -7.342 1.00 0.00 H new ATOM 684 N LYS A 44 2.317 1.085 -9.670 1.00 0.00 N ATOM 685 CA LYS A 44 1.777 1.029 -11.021 1.00 0.00 C ATOM 686 C LYS A 44 2.817 1.479 -12.057 1.00 0.00 C ATOM 687 O LYS A 44 2.988 0.818 -13.080 1.00 0.00 O ATOM 688 CB LYS A 44 0.490 1.858 -11.120 1.00 0.00 C ATOM 689 CG LYS A 44 -0.647 1.205 -10.322 1.00 0.00 C ATOM 690 CD LYS A 44 -1.996 1.893 -10.563 1.00 0.00 C ATOM 691 CE LYS A 44 -1.963 3.365 -10.141 1.00 0.00 C ATOM 692 NZ LYS A 44 -3.312 3.957 -10.125 1.00 0.00 N ATOM 0 H LYS A 44 1.783 1.667 -9.025 1.00 0.00 H new ATOM 0 HA LYS A 44 1.528 -0.008 -11.245 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.672 2.865 -10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.196 1.956 -12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.724 0.153 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.409 1.240 -9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.257 1.823 -11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.775 1.372 -10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.517 3.450 -9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.327 3.926 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.274 4.894 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.660 4.054 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.955 3.341 -9.587 1.00 0.00 H new ATOM 706 N GLY A 45 3.491 2.606 -11.811 1.00 0.00 N ATOM 707 CA GLY A 45 4.451 3.180 -12.748 1.00 0.00 C ATOM 708 C GLY A 45 5.793 2.442 -12.843 1.00 0.00 C ATOM 709 O GLY A 45 6.324 2.256 -13.936 1.00 0.00 O ATOM 0 H GLY A 45 3.383 3.145 -10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.997 3.205 -13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.643 4.214 -12.459 1.00 0.00 H new ATOM 713 N CYS A 46 6.369 2.090 -11.693 1.00 0.00 N ATOM 714 CA CYS A 46 7.681 1.475 -11.520 1.00 0.00 C ATOM 715 C CYS A 46 7.956 0.330 -12.497 1.00 0.00 C ATOM 716 O CYS A 46 7.445 -0.769 -12.320 1.00 0.00 O ATOM 717 CB CYS A 46 7.799 0.994 -10.070 1.00 0.00 C ATOM 718 SG CYS A 46 9.365 0.203 -9.628 1.00 0.00 S ATOM 0 H CYS A 46 5.898 2.238 -10.800 1.00 0.00 H new ATOM 0 HA CYS A 46 8.436 2.229 -11.743 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.646 1.848 -9.410 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.990 0.290 -9.873 1.00 0.00 H new ATOM 723 N LYS A 47 8.818 0.558 -13.493 1.00 0.00 N ATOM 724 CA LYS A 47 9.186 -0.436 -14.497 1.00 0.00 C ATOM 725 C LYS A 47 9.711 -1.724 -13.850 1.00 0.00 C ATOM 726 O LYS A 47 9.511 -2.814 -14.380 1.00 0.00 O ATOM 727 CB LYS A 47 10.228 0.148 -15.466 1.00 0.00 C ATOM 728 CG LYS A 47 9.653 1.154 -16.477 1.00 0.00 C ATOM 729 CD LYS A 47 9.325 2.531 -15.878 1.00 0.00 C ATOM 730 CE LYS A 47 8.943 3.542 -16.965 1.00 0.00 C ATOM 731 NZ LYS A 47 7.689 3.165 -17.642 1.00 0.00 N ATOM 0 H LYS A 47 9.286 1.455 -13.623 1.00 0.00 H new ATOM 0 HA LYS A 47 8.288 -0.694 -15.058 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.011 0.638 -14.888 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.699 -0.670 -16.012 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.368 1.285 -17.289 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.747 0.735 -16.914 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.505 2.433 -15.167 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.186 2.901 -15.322 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.834 4.531 -16.520 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.747 3.609 -17.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.435 3.897 -18.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.818 2.256 -18.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.928 3.076 -16.939 1.00 0.00 H new ATOM 745 N ARG A 48 10.369 -1.600 -12.696 1.00 0.00 N ATOM 746 CA ARG A 48 10.903 -2.738 -11.954 1.00 0.00 C ATOM 747 C ARG A 48 9.804 -3.662 -11.430 1.00 0.00 C ATOM 748 O ARG A 48 10.160 -4.770 -11.045 1.00 0.00 O ATOM 749 CB ARG A 48 11.784 -2.260 -10.791 1.00 0.00 C ATOM 750 CG ARG A 48 12.966 -1.381 -11.228 1.00 0.00 C ATOM 751 CD ARG A 48 13.485 -0.548 -10.051 1.00 0.00 C ATOM 752 NE ARG A 48 13.925 -1.390 -8.930 1.00 0.00 N ATOM 753 CZ ARG A 48 14.256 -0.938 -7.712 1.00 0.00 C ATOM 754 NH1 ARG A 48 14.156 0.359 -7.407 1.00 0.00 N ATOM 755 NH2 ARG A 48 14.697 -1.814 -6.808 1.00 0.00 N ATOM 0 H ARG A 48 10.546 -0.700 -12.249 1.00 0.00 H new ATOM 0 HA ARG A 48 11.508 -3.314 -12.655 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.168 -1.700 -10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.168 -3.129 -10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 48 13.768 -2.008 -11.618 1.00 0.00 H new ATOM 0 HG3 ARG A 48 12.655 -0.721 -12.038 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.316 0.073 -10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.700 0.127 -9.711 1.00 0.00 H new ATOM 0 HE ARG A 48 13.983 -2.396 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.823 1.023 -8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.412 0.685 -6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.776 -2.802 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.956 -1.496 -5.874 1.00 0.00 H new ATOM 769 N LYS A 49 8.529 -3.234 -11.399 1.00 0.00 N ATOM 770 CA LYS A 49 7.347 -3.991 -10.966 1.00 0.00 C ATOM 771 C LYS A 49 7.676 -5.122 -9.987 1.00 0.00 C ATOM 772 O LYS A 49 7.355 -6.283 -10.239 1.00 0.00 O ATOM 773 CB LYS A 49 6.608 -4.550 -12.197 1.00 0.00 C ATOM 774 CG LYS A 49 6.122 -3.500 -13.205 1.00 0.00 C ATOM 775 CD LYS A 49 5.064 -2.529 -12.657 1.00 0.00 C ATOM 776 CE LYS A 49 3.743 -3.215 -12.304 1.00 0.00 C ATOM 777 NZ LYS A 49 2.746 -2.212 -11.900 1.00 0.00 N ATOM 0 H LYS A 49 8.284 -2.289 -11.695 1.00 0.00 H new ATOM 0 HA LYS A 49 6.705 -3.295 -10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.270 -5.245 -12.713 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.748 -5.125 -11.853 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.980 -2.924 -13.552 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.710 -4.013 -14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.458 -2.035 -11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.876 -1.751 -13.397 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.376 -3.779 -13.162 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.900 -3.930 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.967 -2.681 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.192 -1.512 -11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.373 -1.733 -12.745 1.00 0.00 H new ATOM 791 N THR A 50 8.336 -4.808 -8.870 1.00 0.00 N ATOM 792 CA THR A 50 8.790 -5.790 -7.885 1.00 0.00 C ATOM 793 C THR A 50 10.035 -6.521 -8.401 1.00 0.00 C ATOM 794 O THR A 50 11.065 -6.487 -7.731 1.00 0.00 O ATOM 795 CB THR A 50 7.683 -6.781 -7.474 1.00 0.00 C ATOM 796 OG1 THR A 50 6.424 -6.149 -7.518 1.00 0.00 O ATOM 797 CG2 THR A 50 7.920 -7.298 -6.057 1.00 0.00 C ATOM 0 H THR A 50 8.574 -3.848 -8.621 1.00 0.00 H new ATOM 0 HA THR A 50 9.054 -5.244 -6.979 1.00 0.00 H new ATOM 0 HB THR A 50 7.705 -7.617 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.846 -6.616 -8.157 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.127 -7.996 -5.787 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.883 -7.807 -6.012 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.919 -6.461 -5.359 1.00 0.00 H new ATOM 805 N ASN A 51 9.921 -7.144 -9.583 1.00 0.00 N ATOM 806 CA ASN A 51 10.940 -7.884 -10.325 1.00 0.00 C ATOM 807 C ASN A 51 12.359 -7.399 -10.050 1.00 0.00 C ATOM 808 O ASN A 51 13.203 -8.173 -9.607 1.00 0.00 O ATOM 809 CB ASN A 51 10.665 -7.791 -11.835 1.00 0.00 C ATOM 810 CG ASN A 51 11.668 -8.635 -12.614 1.00 0.00 C ATOM 811 OD1 ASN A 51 12.620 -8.111 -13.180 1.00 0.00 O ATOM 812 ND2 ASN A 51 11.468 -9.949 -12.651 1.00 0.00 N ATOM 0 H ASN A 51 9.033 -7.140 -10.084 1.00 0.00 H new ATOM 0 HA ASN A 51 10.876 -8.917 -9.982 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.652 -8.132 -12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.727 -6.752 -12.158 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.116 -10.549 -13.160 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.666 -10.357 -12.170 1.00 0.00 H new ATOM 819 N GLY A 52 12.621 -6.112 -10.288 1.00 0.00 N ATOM 820 CA GLY A 52 13.934 -5.516 -10.067 1.00 0.00 C ATOM 821 C GLY A 52 14.173 -5.228 -8.585 1.00 0.00 C ATOM 822 O GLY A 52 14.587 -4.129 -8.230 1.00 0.00 O ATOM 0 H GLY A 52 11.925 -5.455 -10.640 1.00 0.00 H new ATOM 0 HA2 GLY A 52 14.708 -6.188 -10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.016 -4.591 -10.637 1.00 0.00 H new ATOM 826 N GLY A 53 13.899 -6.215 -7.727 1.00 0.00 N ATOM 827 CA GLY A 53 14.029 -6.157 -6.280 1.00 0.00 C ATOM 828 C GLY A 53 13.495 -4.850 -5.695 1.00 0.00 C ATOM 829 O GLY A 53 14.198 -4.197 -4.928 1.00 0.00 O ATOM 0 H GLY A 53 13.563 -7.123 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.492 -6.996 -5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 53 15.078 -6.271 -6.008 1.00 0.00 H new ATOM 833 N CYS A 54 12.267 -4.453 -6.054 1.00 0.00 N ATOM 834 CA CYS A 54 11.698 -3.203 -5.555 1.00 0.00 C ATOM 835 C CYS A 54 10.917 -3.432 -4.251 1.00 0.00 C ATOM 836 O CYS A 54 9.871 -4.087 -4.277 1.00 0.00 O ATOM 837 CB CYS A 54 10.836 -2.513 -6.610 1.00 0.00 C ATOM 838 SG CYS A 54 10.494 -0.792 -6.155 1.00 0.00 S ATOM 0 H CYS A 54 11.657 -4.976 -6.682 1.00 0.00 H new ATOM 0 HA CYS A 54 12.527 -2.532 -5.332 1.00 0.00 H new ATOM 0 HB2 CYS A 54 11.343 -2.543 -7.574 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.897 -3.054 -6.727 1.00 0.00 H new ATOM 843 N PRO A 55 11.386 -2.900 -3.105 1.00 0.00 N ATOM 844 CA PRO A 55 10.730 -3.106 -1.824 1.00 0.00 C ATOM 845 C PRO A 55 9.351 -2.455 -1.763 1.00 0.00 C ATOM 846 O PRO A 55 8.440 -3.009 -1.153 1.00 0.00 O ATOM 847 CB PRO A 55 11.673 -2.522 -0.769 1.00 0.00 C ATOM 848 CG PRO A 55 12.481 -1.480 -1.537 1.00 0.00 C ATOM 849 CD PRO A 55 12.582 -2.086 -2.936 1.00 0.00 C ATOM 0 HA PRO A 55 10.547 -4.167 -1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.120 -2.071 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.317 -3.290 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.981 -0.512 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 55 13.464 -1.324 -1.093 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.635 -1.307 -3.696 1.00 0.00 H new ATOM 0 HD3 PRO A 55 13.483 -2.691 -3.036 1.00 0.00 H new ATOM 857 N VAL A 56 9.182 -1.264 -2.342 1.00 0.00 N ATOM 858 CA VAL A 56 7.904 -0.556 -2.306 1.00 0.00 C ATOM 859 C VAL A 56 6.807 -1.437 -2.907 1.00 0.00 C ATOM 860 O VAL A 56 5.794 -1.721 -2.264 1.00 0.00 O ATOM 861 CB VAL A 56 8.012 0.792 -3.041 1.00 0.00 C ATOM 862 CG1 VAL A 56 6.651 1.501 -3.030 1.00 0.00 C ATOM 863 CG2 VAL A 56 9.053 1.701 -2.376 1.00 0.00 C ATOM 0 H VAL A 56 9.920 -0.769 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 56 7.641 -0.342 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 56 8.323 0.592 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.733 2.455 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.911 0.876 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.340 1.676 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.108 2.646 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.764 1.890 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.028 1.214 -2.397 1.00 0.00 H new ATOM 873 N CYS A 57 7.026 -1.875 -4.149 1.00 0.00 N ATOM 874 CA CYS A 57 6.074 -2.715 -4.852 1.00 0.00 C ATOM 875 C CYS A 57 5.818 -3.992 -4.049 1.00 0.00 C ATOM 876 O CYS A 57 4.665 -4.365 -3.838 1.00 0.00 O ATOM 877 CB CYS A 57 6.590 -3.044 -6.258 1.00 0.00 C ATOM 878 SG CYS A 57 7.063 -1.631 -7.295 1.00 0.00 S ATOM 0 H CYS A 57 7.865 -1.655 -4.686 1.00 0.00 H new ATOM 0 HA CYS A 57 5.131 -2.178 -4.957 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.455 -3.700 -6.160 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.819 -3.609 -6.781 1.00 0.00 H new ATOM 883 N LYS A 58 6.887 -4.651 -3.583 1.00 0.00 N ATOM 884 CA LYS A 58 6.758 -5.868 -2.791 1.00 0.00 C ATOM 885 C LYS A 58 5.843 -5.632 -1.586 1.00 0.00 C ATOM 886 O LYS A 58 4.917 -6.405 -1.349 1.00 0.00 O ATOM 887 CB LYS A 58 8.148 -6.361 -2.358 1.00 0.00 C ATOM 888 CG LYS A 58 8.123 -7.657 -1.533 1.00 0.00 C ATOM 889 CD LYS A 58 7.463 -8.821 -2.285 1.00 0.00 C ATOM 890 CE LYS A 58 7.615 -10.121 -1.489 1.00 0.00 C ATOM 891 NZ LYS A 58 6.976 -11.252 -2.184 1.00 0.00 N ATOM 0 H LYS A 58 7.850 -4.356 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 58 6.298 -6.645 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.759 -6.520 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.633 -5.580 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.143 -7.933 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.586 -7.480 -0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.407 -8.607 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.919 -8.933 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.673 -10.335 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.170 -10.000 -0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.096 -12.118 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.962 -11.056 -2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.419 -11.382 -3.116 1.00 0.00 H new ATOM 905 N GLN A 59 6.095 -4.562 -0.827 1.00 0.00 N ATOM 906 CA GLN A 59 5.290 -4.215 0.335 1.00 0.00 C ATOM 907 C GLN A 59 3.833 -4.004 -0.071 1.00 0.00 C ATOM 908 O GLN A 59 2.943 -4.561 0.569 1.00 0.00 O ATOM 909 CB GLN A 59 5.862 -2.979 1.033 1.00 0.00 C ATOM 910 CG GLN A 59 7.135 -3.333 1.812 1.00 0.00 C ATOM 911 CD GLN A 59 7.901 -2.077 2.205 1.00 0.00 C ATOM 912 OE1 GLN A 59 7.950 -1.694 3.368 1.00 0.00 O ATOM 913 NE2 GLN A 59 8.505 -1.427 1.218 1.00 0.00 N ATOM 0 H GLN A 59 6.864 -3.916 -1.005 1.00 0.00 H new ATOM 0 HA GLN A 59 5.322 -5.041 1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.085 -2.209 0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.118 -2.563 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.873 -3.898 2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.771 -3.976 1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.441 -1.778 0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.033 -0.577 1.415 1.00 0.00 H new ATOM 922 N LEU A 60 3.572 -3.223 -1.126 1.00 0.00 N ATOM 923 CA LEU A 60 2.199 -3.004 -1.572 1.00 0.00 C ATOM 924 C LEU A 60 1.530 -4.341 -1.900 1.00 0.00 C ATOM 925 O LEU A 60 0.425 -4.614 -1.436 1.00 0.00 O ATOM 926 CB LEU A 60 2.144 -2.036 -2.766 1.00 0.00 C ATOM 927 CG LEU A 60 0.694 -1.753 -3.219 1.00 0.00 C ATOM 928 CD1 LEU A 60 -0.142 -1.019 -2.163 1.00 0.00 C ATOM 929 CD2 LEU A 60 0.702 -0.891 -4.478 1.00 0.00 C ATOM 0 H LEU A 60 4.283 -2.741 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 60 1.644 -2.536 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.628 -1.098 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.708 -2.456 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 60 0.242 -2.729 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.148 -0.853 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.194 -1.622 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.322 -0.060 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.323 -0.696 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.204 0.054 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.231 -1.415 -5.274 1.00 0.00 H new ATOM 941 N ILE A 61 2.198 -5.186 -2.687 1.00 0.00 N ATOM 942 CA ILE A 61 1.671 -6.490 -3.069 1.00 0.00 C ATOM 943 C ILE A 61 1.384 -7.332 -1.825 1.00 0.00 C ATOM 944 O ILE A 61 0.314 -7.923 -1.716 1.00 0.00 O ATOM 945 CB ILE A 61 2.622 -7.177 -4.062 1.00 0.00 C ATOM 946 CG1 ILE A 61 2.590 -6.402 -5.393 1.00 0.00 C ATOM 947 CG2 ILE A 61 2.217 -8.640 -4.306 1.00 0.00 C ATOM 948 CD1 ILE A 61 3.783 -6.753 -6.279 1.00 0.00 C ATOM 0 H ILE A 61 3.119 -4.982 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 61 0.719 -6.367 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 61 3.628 -7.175 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.664 -6.627 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.589 -5.331 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.910 -9.096 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.246 -9.188 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.207 -8.675 -4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.725 -6.186 -7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.708 -6.504 -5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.769 -7.820 -6.503 1.00 0.00 H new ATOM 960 N ALA A 62 2.319 -7.389 -0.876 1.00 0.00 N ATOM 961 CA ALA A 62 2.137 -8.148 0.352 1.00 0.00 C ATOM 962 C ALA A 62 0.945 -7.613 1.151 1.00 0.00 C ATOM 963 O ALA A 62 0.112 -8.388 1.618 1.00 0.00 O ATOM 964 CB ALA A 62 3.429 -8.099 1.168 1.00 0.00 C ATOM 0 H ALA A 62 3.218 -6.911 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 62 1.916 -9.187 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.299 -8.666 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.243 -8.533 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.668 -7.063 1.410 1.00 0.00 H new ATOM 970 N LEU A 63 0.849 -6.288 1.295 1.00 0.00 N ATOM 971 CA LEU A 63 -0.249 -5.632 1.992 1.00 0.00 C ATOM 972 C LEU A 63 -1.568 -6.047 1.334 1.00 0.00 C ATOM 973 O LEU A 63 -2.483 -6.531 2.001 1.00 0.00 O ATOM 974 CB LEU A 63 -0.020 -4.110 1.957 1.00 0.00 C ATOM 975 CG LEU A 63 -1.076 -3.283 2.705 1.00 0.00 C ATOM 976 CD1 LEU A 63 -1.076 -3.596 4.202 1.00 0.00 C ATOM 977 CD2 LEU A 63 -0.775 -1.793 2.508 1.00 0.00 C ATOM 0 H LEU A 63 1.542 -5.638 0.925 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.295 -5.932 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.959 -3.894 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.007 -3.784 0.917 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.056 -3.537 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.835 -2.993 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.296 -4.653 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.097 -3.366 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.520 -1.198 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.216 -1.567 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.806 -1.553 1.445 1.00 0.00 H new ATOM 989 N CYS A 64 -1.640 -5.891 0.011 1.00 0.00 N ATOM 990 CA CYS A 64 -2.778 -6.282 -0.813 1.00 0.00 C ATOM 991 C CYS A 64 -3.101 -7.761 -0.597 1.00 0.00 C ATOM 992 O CYS A 64 -4.265 -8.134 -0.497 1.00 0.00 O ATOM 993 CB CYS A 64 -2.465 -6.026 -2.288 1.00 0.00 C ATOM 994 SG CYS A 64 -2.715 -4.280 -2.707 1.00 0.00 S ATOM 0 H CYS A 64 -0.882 -5.476 -0.531 1.00 0.00 H new ATOM 0 HA CYS A 64 -3.644 -5.687 -0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.435 -6.311 -2.500 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.104 -6.650 -2.913 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.652 -4.178 -3.602 1.00 0.00 H new ATOM 1000 N CYS A 65 -2.076 -8.612 -0.536 1.00 0.00 N ATOM 1001 CA CYS A 65 -2.235 -10.045 -0.319 1.00 0.00 C ATOM 1002 C CYS A 65 -2.917 -10.313 1.013 1.00 0.00 C ATOM 1003 O CYS A 65 -3.965 -10.952 1.069 1.00 0.00 O ATOM 1004 CB CYS A 65 -0.883 -10.764 -0.336 1.00 0.00 C ATOM 1005 SG CYS A 65 -1.212 -12.525 -0.583 1.00 0.00 S ATOM 0 H CYS A 65 -1.104 -8.320 -0.637 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.852 -10.428 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.251 -10.376 -1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -0.349 -10.601 0.600 1.00 0.00 H new ATOM 0 HG CYS A 65 -0.088 -13.177 -0.606 1.00 0.00 H new ATOM 1011 N TYR A 66 -2.302 -9.829 2.092 1.00 0.00 N ATOM 1012 CA TYR A 66 -2.838 -9.993 3.438 1.00 0.00 C ATOM 1013 C TYR A 66 -4.280 -9.480 3.476 1.00 0.00 C ATOM 1014 O TYR A 66 -5.175 -10.162 3.970 1.00 0.00 O ATOM 1015 CB TYR A 66 -1.938 -9.316 4.477 1.00 0.00 C ATOM 1016 CG TYR A 66 -2.513 -9.376 5.878 1.00 0.00 C ATOM 1017 CD1 TYR A 66 -2.683 -10.604 6.543 1.00 0.00 C ATOM 1018 CD2 TYR A 66 -3.040 -8.208 6.442 1.00 0.00 C ATOM 1019 CE1 TYR A 66 -3.387 -10.648 7.761 1.00 0.00 C ATOM 1020 CE2 TYR A 66 -3.673 -8.235 7.693 1.00 0.00 C ATOM 1021 CZ TYR A 66 -3.893 -9.465 8.328 1.00 0.00 C ATOM 1022 OH TYR A 66 -4.743 -9.526 9.392 1.00 0.00 O ATOM 0 H TYR A 66 -1.422 -9.315 2.055 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.854 -11.051 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.959 -9.794 4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.786 -8.274 4.196 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.275 -11.510 6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.958 -7.274 5.906 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.539 -11.593 8.261 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.988 -7.315 8.163 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.330 -10.305 9.298 1.00 0.00 H new ATOM 1032 N HIS A 67 -4.510 -8.296 2.905 1.00 0.00 N ATOM 1033 CA HIS A 67 -5.835 -7.714 2.778 1.00 0.00 C ATOM 1034 C HIS A 67 -6.788 -8.711 2.105 1.00 0.00 C ATOM 1035 O HIS A 67 -7.848 -9.019 2.649 1.00 0.00 O ATOM 1036 CB HIS A 67 -5.717 -6.393 1.999 1.00 0.00 C ATOM 1037 CG HIS A 67 -7.025 -5.840 1.512 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -7.849 -4.976 2.197 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -7.678 -6.231 0.375 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -8.985 -4.864 1.490 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -8.934 -5.629 0.389 1.00 0.00 N ATOM 0 H HIS A 67 -3.769 -7.713 2.516 1.00 0.00 H new ATOM 0 HA HIS A 67 -6.256 -7.495 3.759 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.238 -5.651 2.637 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.061 -6.548 1.143 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.636 -4.508 3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.291 -6.886 -0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.824 -4.244 1.769 1.00 0.00 H new ATOM 1049 N ALA A 68 -6.413 -9.207 0.924 1.00 0.00 N ATOM 1050 CA ALA A 68 -7.205 -10.134 0.132 1.00 0.00 C ATOM 1051 C ALA A 68 -7.669 -11.344 0.946 1.00 0.00 C ATOM 1052 O ALA A 68 -8.792 -11.801 0.761 1.00 0.00 O ATOM 1053 CB ALA A 68 -6.438 -10.570 -1.119 1.00 0.00 C ATOM 0 H ALA A 68 -5.525 -8.965 0.485 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.104 -9.604 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.049 -11.263 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.207 -9.696 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.511 -11.062 -0.824 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.820 -11.857 1.842 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.185 -12.998 2.679 1.00 0.00 C ATOM 1061 C LYS A 69 -8.424 -12.707 3.539 1.00 0.00 C ATOM 1062 O LYS A 69 -9.197 -13.621 3.822 1.00 0.00 O ATOM 1063 CB LYS A 69 -6.016 -13.421 3.582 1.00 0.00 C ATOM 1064 CG LYS A 69 -4.785 -13.862 2.785 1.00 0.00 C ATOM 1065 CD LYS A 69 -3.670 -14.300 3.745 1.00 0.00 C ATOM 1066 CE LYS A 69 -2.334 -14.492 3.017 1.00 0.00 C ATOM 1067 NZ LYS A 69 -2.428 -15.495 1.942 1.00 0.00 N ATOM 0 H LYS A 69 -5.879 -11.500 2.004 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.425 -13.817 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.744 -12.589 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.338 -14.238 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.047 -14.684 2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.435 -13.043 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.552 -13.553 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.956 -15.232 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.011 -13.540 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.572 -14.799 3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.478 -15.692 1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.840 -16.372 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.032 -15.130 1.178 1.00 0.00 H new ATOM 1081 N HIS A 70 -8.607 -11.456 3.973 1.00 0.00 N ATOM 1082 CA HIS A 70 -9.729 -11.059 4.817 1.00 0.00 C ATOM 1083 C HIS A 70 -10.885 -10.478 4.002 1.00 0.00 C ATOM 1084 O HIS A 70 -12.050 -10.739 4.301 1.00 0.00 O ATOM 1085 CB HIS A 70 -9.243 -10.052 5.864 1.00 0.00 C ATOM 1086 CG HIS A 70 -8.334 -10.670 6.896 1.00 0.00 C ATOM 1087 ND1 HIS A 70 -8.719 -11.564 7.870 1.00 0.00 N ATOM 1088 CD2 HIS A 70 -6.996 -10.432 7.056 1.00 0.00 C ATOM 1089 CE1 HIS A 70 -7.634 -11.850 8.608 1.00 0.00 C ATOM 1090 NE2 HIS A 70 -6.560 -11.177 8.160 1.00 0.00 N ATOM 0 H HIS A 70 -7.975 -10.689 3.745 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.113 -11.949 5.315 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.716 -9.240 5.363 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.105 -9.611 6.364 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -9.657 -11.940 8.006 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.386 -9.786 6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.625 -12.529 9.448 1.00 0.00 H new ATOM 1098 N CYS A 71 -10.575 -9.660 2.996 1.00 0.00 N ATOM 1099 CA CYS A 71 -11.576 -9.000 2.174 1.00 0.00 C ATOM 1100 C CYS A 71 -12.468 -10.004 1.442 1.00 0.00 C ATOM 1101 O CYS A 71 -11.977 -10.862 0.718 1.00 0.00 O ATOM 1102 CB CYS A 71 -10.884 -8.074 1.176 1.00 0.00 C ATOM 1103 SG CYS A 71 -11.984 -7.332 -0.060 1.00 0.00 S ATOM 0 H CYS A 71 -9.615 -9.439 2.731 1.00 0.00 H new ATOM 0 HA CYS A 71 -12.222 -8.417 2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.388 -7.275 1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.106 -8.636 0.659 1.00 0.00 H new ATOM 1108 N GLN A 72 -13.785 -9.862 1.606 1.00 0.00 N ATOM 1109 CA GLN A 72 -14.776 -10.693 0.934 1.00 0.00 C ATOM 1110 C GLN A 72 -15.240 -10.027 -0.368 1.00 0.00 C ATOM 1111 O GLN A 72 -15.584 -10.712 -1.327 1.00 0.00 O ATOM 1112 CB GLN A 72 -15.955 -10.940 1.882 1.00 0.00 C ATOM 1113 CG GLN A 72 -15.501 -11.683 3.148 1.00 0.00 C ATOM 1114 CD GLN A 72 -16.660 -11.994 4.091 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -17.807 -11.651 3.824 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -16.372 -12.646 5.214 1.00 0.00 N ATOM 0 H GLN A 72 -14.195 -9.156 2.218 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.330 -11.652 0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -16.409 -9.988 2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -16.721 -11.522 1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.009 -12.613 2.863 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.761 -11.080 3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -15.410 -12.920 5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -17.113 -12.872 5.877 1.00 0.00 H new ATOM 1125 N GLU A 73 -15.270 -8.688 -0.398 1.00 0.00 N ATOM 1126 CA GLU A 73 -15.711 -7.919 -1.550 1.00 0.00 C ATOM 1127 C GLU A 73 -14.913 -8.282 -2.807 1.00 0.00 C ATOM 1128 O GLU A 73 -13.685 -8.326 -2.783 1.00 0.00 O ATOM 1129 CB GLU A 73 -15.638 -6.415 -1.237 1.00 0.00 C ATOM 1130 CG GLU A 73 -16.081 -5.520 -2.407 1.00 0.00 C ATOM 1131 CD GLU A 73 -17.497 -5.826 -2.887 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -18.438 -5.319 -2.241 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -17.611 -6.573 -3.886 1.00 0.00 O ATOM 0 H GLU A 73 -14.983 -8.109 0.391 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.750 -8.172 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.264 -6.202 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.615 -6.159 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.025 -4.476 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.386 -5.646 -3.237 1.00 0.00 H new ATOM 1140 N ASN A 74 -15.630 -8.492 -3.912 1.00 0.00 N ATOM 1141 CA ASN A 74 -15.055 -8.789 -5.213 1.00 0.00 C ATOM 1142 C ASN A 74 -14.639 -7.488 -5.893 1.00 0.00 C ATOM 1143 O ASN A 74 -13.462 -7.297 -6.179 1.00 0.00 O ATOM 1144 CB ASN A 74 -16.068 -9.559 -6.066 1.00 0.00 C ATOM 1145 CG ASN A 74 -15.558 -9.733 -7.494 1.00 0.00 C ATOM 1146 OD1 ASN A 74 -15.984 -9.024 -8.398 1.00 0.00 O ATOM 1147 ND2 ASN A 74 -14.638 -10.668 -7.711 1.00 0.00 N ATOM 0 H ASN A 74 -16.649 -8.458 -3.921 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.170 -9.414 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.256 -10.536 -5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -17.019 -9.026 -6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.267 -10.810 -8.651 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.303 -11.243 -6.938 1.00 0.00 H new ATOM 1154 N LYS A 75 -15.588 -6.572 -6.121 1.00 0.00 N ATOM 1155 CA LYS A 75 -15.357 -5.282 -6.768 1.00 0.00 C ATOM 1156 C LYS A 75 -14.743 -4.300 -5.766 1.00 0.00 C ATOM 1157 O LYS A 75 -15.268 -3.223 -5.491 1.00 0.00 O ATOM 1158 CB LYS A 75 -16.650 -4.768 -7.426 1.00 0.00 C ATOM 1159 CG LYS A 75 -17.867 -4.723 -6.488 1.00 0.00 C ATOM 1160 CD LYS A 75 -18.999 -3.861 -7.060 1.00 0.00 C ATOM 1161 CE LYS A 75 -19.545 -4.419 -8.379 1.00 0.00 C ATOM 1162 NZ LYS A 75 -20.701 -3.637 -8.852 1.00 0.00 N ATOM 0 H LYS A 75 -16.562 -6.715 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.635 -5.394 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.471 -3.766 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.887 -5.405 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.232 -5.736 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.564 -4.327 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -19.808 -3.798 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.635 -2.846 -7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.760 -4.405 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.838 -5.460 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.049 -4.038 -9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.458 -3.671 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.413 -2.649 -9.004 1.00 0.00 H new ATOM 1176 N CYS A 76 -13.624 -4.720 -5.192 1.00 0.00 N ATOM 1177 CA CYS A 76 -12.890 -3.998 -4.177 1.00 0.00 C ATOM 1178 C CYS A 76 -12.089 -2.842 -4.792 1.00 0.00 C ATOM 1179 O CYS A 76 -11.455 -3.040 -5.826 1.00 0.00 O ATOM 1180 CB CYS A 76 -11.962 -4.996 -3.486 1.00 0.00 C ATOM 1181 SG CYS A 76 -11.119 -4.315 -2.047 1.00 0.00 S ATOM 0 H CYS A 76 -13.190 -5.610 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 76 -13.578 -3.556 -3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.541 -5.867 -3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.218 -5.344 -4.202 1.00 0.00 H new ATOM 1186 N PRO A 77 -12.081 -1.646 -4.174 1.00 0.00 N ATOM 1187 CA PRO A 77 -11.312 -0.511 -4.670 1.00 0.00 C ATOM 1188 C PRO A 77 -9.804 -0.782 -4.602 1.00 0.00 C ATOM 1189 O PRO A 77 -9.056 -0.346 -5.473 1.00 0.00 O ATOM 1190 CB PRO A 77 -11.709 0.676 -3.786 1.00 0.00 C ATOM 1191 CG PRO A 77 -12.187 0.032 -2.486 1.00 0.00 C ATOM 1192 CD PRO A 77 -12.800 -1.285 -2.960 1.00 0.00 C ATOM 0 HA PRO A 77 -11.527 -0.314 -5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.865 1.343 -3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.496 1.271 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -11.364 -0.133 -1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -12.918 0.656 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.697 -2.060 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.866 -1.171 -3.157 1.00 0.00 H new ATOM 1200 N VAL A 78 -9.353 -1.480 -3.555 1.00 0.00 N ATOM 1201 CA VAL A 78 -7.948 -1.813 -3.368 1.00 0.00 C ATOM 1202 C VAL A 78 -7.422 -2.569 -4.600 1.00 0.00 C ATOM 1203 O VAL A 78 -7.985 -3.609 -4.950 1.00 0.00 O ATOM 1204 CB VAL A 78 -7.766 -2.620 -2.069 1.00 0.00 C ATOM 1205 CG1 VAL A 78 -6.355 -3.202 -1.940 1.00 0.00 C ATOM 1206 CG2 VAL A 78 -8.042 -1.726 -0.855 1.00 0.00 C ATOM 0 H VAL A 78 -9.960 -1.829 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.362 -0.899 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.475 -3.447 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.276 -3.762 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.157 -3.867 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.626 -2.392 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.911 -2.304 0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.347 -0.886 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.064 -1.351 -0.904 1.00 0.00 H new ATOM 1216 N PRO A 79 -6.357 -2.084 -5.263 1.00 0.00 N ATOM 1217 CA PRO A 79 -5.806 -2.748 -6.432 1.00 0.00 C ATOM 1218 C PRO A 79 -5.196 -4.090 -6.029 1.00 0.00 C ATOM 1219 O PRO A 79 -4.998 -4.364 -4.845 1.00 0.00 O ATOM 1220 CB PRO A 79 -4.765 -1.782 -7.007 1.00 0.00 C ATOM 1221 CG PRO A 79 -4.315 -0.986 -5.783 1.00 0.00 C ATOM 1222 CD PRO A 79 -5.593 -0.887 -4.950 1.00 0.00 C ATOM 0 HA PRO A 79 -6.563 -2.975 -7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.934 -2.314 -7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.195 -1.136 -7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.518 -1.495 -5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.935 -0.002 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.364 -0.835 -3.886 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.155 0.013 -5.199 1.00 0.00 H new ATOM 1230 N PHE A 80 -4.920 -4.946 -7.015 1.00 0.00 N ATOM 1231 CA PHE A 80 -4.353 -6.281 -6.843 1.00 0.00 C ATOM 1232 C PHE A 80 -5.317 -7.278 -6.192 1.00 0.00 C ATOM 1233 O PHE A 80 -5.319 -8.433 -6.603 1.00 0.00 O ATOM 1234 CB PHE A 80 -2.991 -6.255 -6.133 1.00 0.00 C ATOM 1235 CG PHE A 80 -1.946 -5.407 -6.829 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -1.247 -5.924 -7.936 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -1.703 -4.088 -6.403 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -0.320 -5.121 -8.621 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -0.795 -3.277 -7.105 1.00 0.00 C ATOM 1240 CZ PHE A 80 -0.105 -3.793 -8.216 1.00 0.00 C ATOM 0 H PHE A 80 -5.093 -4.717 -7.994 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.181 -6.649 -7.854 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.129 -5.881 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.618 -7.276 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.424 -6.939 -8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.215 -3.698 -5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.228 -5.525 -9.460 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.627 -2.257 -6.791 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.590 -3.169 -8.758 1.00 0.00 H new ATOM 1250 N CYS A 81 -6.123 -6.866 -5.206 1.00 0.00 N ATOM 1251 CA CYS A 81 -7.091 -7.696 -4.488 1.00 0.00 C ATOM 1252 C CYS A 81 -7.780 -8.708 -5.418 1.00 0.00 C ATOM 1253 O CYS A 81 -7.687 -9.917 -5.205 1.00 0.00 O ATOM 1254 CB CYS A 81 -8.091 -6.777 -3.770 1.00 0.00 C ATOM 1255 SG CYS A 81 -9.251 -7.595 -2.646 1.00 0.00 S ATOM 0 H CYS A 81 -6.116 -5.902 -4.874 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.572 -8.298 -3.742 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.530 -6.034 -3.204 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.665 -6.237 -4.524 1.00 0.00 H new ATOM 1260 N LEU A 82 -8.432 -8.208 -6.473 1.00 0.00 N ATOM 1261 CA LEU A 82 -9.093 -9.021 -7.492 1.00 0.00 C ATOM 1262 C LEU A 82 -8.133 -10.061 -8.077 1.00 0.00 C ATOM 1263 O LEU A 82 -8.389 -11.260 -8.008 1.00 0.00 O ATOM 1264 CB LEU A 82 -9.629 -8.101 -8.601 1.00 0.00 C ATOM 1265 CG LEU A 82 -11.000 -7.506 -8.246 1.00 0.00 C ATOM 1266 CD1 LEU A 82 -11.266 -6.240 -9.063 1.00 0.00 C ATOM 1267 CD2 LEU A 82 -12.111 -8.524 -8.535 1.00 0.00 C ATOM 0 H LEU A 82 -8.515 -7.206 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.921 -9.560 -7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.918 -7.293 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.708 -8.664 -9.531 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.994 -7.257 -7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.242 -5.834 -8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.494 -5.500 -8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.251 -6.483 -10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -13.078 -8.090 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.099 -8.785 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.947 -9.421 -7.938 1.00 0.00 H new ATOM 1279 N ASN A 83 -7.016 -9.599 -8.644 1.00 0.00 N ATOM 1280 CA ASN A 83 -6.004 -10.463 -9.243 1.00 0.00 C ATOM 1281 C ASN A 83 -5.562 -11.559 -8.274 1.00 0.00 C ATOM 1282 O ASN A 83 -5.494 -12.724 -8.652 1.00 0.00 O ATOM 1283 CB ASN A 83 -4.807 -9.628 -9.714 1.00 0.00 C ATOM 1284 CG ASN A 83 -3.652 -10.516 -10.172 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -3.562 -10.875 -11.340 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -2.752 -10.873 -9.259 1.00 0.00 N ATOM 0 H ASN A 83 -6.790 -8.606 -8.699 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.446 -10.956 -10.109 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.115 -8.978 -10.533 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.471 -8.982 -8.903 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.962 -11.461 -9.525 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.853 -10.559 -8.294 1.00 0.00 H new ATOM 1293 N ILE A 84 -5.258 -11.193 -7.029 1.00 0.00 N ATOM 1294 CA ILE A 84 -4.821 -12.139 -6.014 1.00 0.00 C ATOM 1295 C ILE A 84 -5.928 -13.164 -5.760 1.00 0.00 C ATOM 1296 O ILE A 84 -5.654 -14.363 -5.771 1.00 0.00 O ATOM 1297 CB ILE A 84 -4.346 -11.392 -4.751 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -3.100 -10.557 -5.110 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -4.018 -12.389 -3.628 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -2.572 -9.710 -3.950 1.00 0.00 C ATOM 0 H ILE A 84 -5.309 -10.229 -6.700 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.954 -12.701 -6.362 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.139 -10.735 -4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.310 -11.227 -5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.342 -9.901 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.684 -11.845 -2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.909 -12.967 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.228 -13.063 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.696 -9.151 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.346 -9.014 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.298 -10.361 -3.120 1.00 0.00 H new ATOM 1312 N LYS A 85 -7.173 -12.712 -5.565 1.00 0.00 N ATOM 1313 CA LYS A 85 -8.306 -13.612 -5.373 1.00 0.00 C ATOM 1314 C LYS A 85 -8.411 -14.597 -6.539 1.00 0.00 C ATOM 1315 O LYS A 85 -8.544 -15.798 -6.323 1.00 0.00 O ATOM 1316 CB LYS A 85 -9.613 -12.821 -5.227 1.00 0.00 C ATOM 1317 CG LYS A 85 -9.742 -12.206 -3.832 1.00 0.00 C ATOM 1318 CD LYS A 85 -11.010 -11.345 -3.763 1.00 0.00 C ATOM 1319 CE LYS A 85 -11.432 -11.107 -2.312 1.00 0.00 C ATOM 1320 NZ LYS A 85 -10.346 -10.530 -1.507 1.00 0.00 N ATOM 0 H LYS A 85 -7.417 -11.722 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.140 -14.174 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.648 -12.032 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.461 -13.479 -5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.784 -12.993 -3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.865 -11.598 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.832 -10.389 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.818 -11.837 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.293 -10.439 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.750 -12.050 -1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.686 -10.354 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.546 -11.194 -1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.036 -9.633 -1.933 1.00 0.00 H new ATOM 1334 N HIS A 86 -8.352 -14.091 -7.774 1.00 0.00 N ATOM 1335 CA HIS A 86 -8.417 -14.926 -8.968 1.00 0.00 C ATOM 1336 C HIS A 86 -7.270 -15.939 -8.951 1.00 0.00 C ATOM 1337 O HIS A 86 -7.481 -17.134 -9.146 1.00 0.00 O ATOM 1338 CB HIS A 86 -8.384 -14.049 -10.227 1.00 0.00 C ATOM 1339 CG HIS A 86 -9.468 -13.000 -10.264 1.00 0.00 C ATOM 1340 ND1 HIS A 86 -10.654 -13.035 -9.566 1.00 0.00 N ATOM 1341 CD2 HIS A 86 -9.404 -11.792 -10.907 1.00 0.00 C ATOM 1342 CE1 HIS A 86 -11.291 -11.874 -9.795 1.00 0.00 C ATOM 1343 NE2 HIS A 86 -10.571 -11.085 -10.608 1.00 0.00 N ATOM 0 H HIS A 86 -8.258 -13.094 -7.970 1.00 0.00 H new ATOM 0 HA HIS A 86 -9.355 -15.481 -8.979 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -7.413 -13.558 -10.292 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -8.478 -14.687 -11.106 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -8.595 -11.447 -11.534 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.253 -11.611 -9.381 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -10.825 -10.155 -10.941 1.00 0.00 H new ATOM 1351 N LYS A 87 -6.054 -15.459 -8.691 1.00 0.00 N ATOM 1352 CA LYS A 87 -4.868 -16.286 -8.580 1.00 0.00 C ATOM 1353 C LYS A 87 -4.894 -16.978 -7.218 1.00 0.00 C ATOM 1354 O LYS A 87 -4.221 -17.990 -7.019 1.00 0.00 O ATOM 1355 CB LYS A 87 -3.625 -15.401 -8.769 1.00 0.00 C ATOM 1356 CG LYS A 87 -2.344 -16.226 -8.944 1.00 0.00 C ATOM 1357 CD LYS A 87 -1.156 -15.304 -9.236 1.00 0.00 C ATOM 1358 CE LYS A 87 0.120 -16.128 -9.443 1.00 0.00 C ATOM 1359 NZ LYS A 87 1.276 -15.265 -9.739 1.00 0.00 N ATOM 0 H LYS A 87 -5.870 -14.466 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.839 -17.057 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.765 -14.763 -9.641 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.516 -14.743 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.150 -16.806 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.470 -16.938 -9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.360 -14.708 -10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.017 -14.607 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.323 -16.717 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.029 -16.832 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.123 -15.853 -9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.091 -14.722 -10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.432 -14.610 -8.947 1.00 0.00 H new TER 1373 LYS A 87 HETATM 1374 ZN ZN A 88 -7.502 10.703 1.942 1.00 0.00 ZN HETATM 1375 ZN ZN A 89 8.739 -0.060 -7.432 1.00 0.00 ZN HETATM 1376 ZN ZN A 90 -10.271 -6.218 -1.104 1.00 0.00 ZN