USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 708 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= -0.0955 K(o=-0.22,f=-1.4!) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.128 K(o=-0.22,f=-2.9!) USER MOD Set 2.1: A 37 SER OG : rot -16:sc= 0.85 USER MOD Set 2.2: A 38 GLN : amide:sc= 0.424 K(o=1.3,f=-9.8!) USER MOD Set 3.1: A 22 SER OG : rot -135:sc= 1.62 USER MOD Set 3.2: A 56 HIS : no HE2:sc= 1.52 K(o=3.1,f=-5.6!) USER MOD Set 4.1: A 14 THR OG1 : rot -161:sc= 0.323 USER MOD Set 4.2: A 62 SER OG : rot 180:sc= 0.305 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.566 (180deg=-1.36) USER MOD Single : A 1 MET N :NH3+ -125:sc= 1.11 (180deg=-0.59) USER MOD Single : A 2 LYS NZ :NH3+ 172:sc= 0.973 (180deg=0.922) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 87:sc= 0.391 USER MOD Single : A 11 ASN : amide:sc= -0.194 K(o=-0.19,f=-11!) USER MOD Single : A 12 HIS : no HD1:sc= 0.824 K(o=0.82,f=-2.6!) USER MOD Single : A 15 MET CE :methyl -152:sc= -0.13 (180deg=-0.683) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.151 USER MOD Single : A 26 MET CE :methyl -168:sc= 0 (180deg=-0.116) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot -44:sc= -0.506 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 58 MET CE :methyl -167:sc=-0.00824 (180deg=-0.232) USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= 1.05 (180deg=1.04) USER MOD Single : A 70 ASN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0.728 K(o=0.73,f=-7.5!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HE2:sc= 0.983 K(o=0.98,f=-4.7!) USER MOD Single : A 90 HIS : no HE2:sc= 0.928 K(o=0.93,f=-3!) USER MOD Single : A 91 HIS : no HD1:sc= 1.42 K(o=1.4,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.793 1.763 3.286 1.00 50.00 N ATOM 2 CA MET A 1 -10.356 1.738 3.532 1.00 50.00 C ATOM 3 C MET A 1 -9.818 3.137 3.806 1.00 50.00 C ATOM 4 O MET A 1 -8.816 3.553 3.224 1.00 50.00 O ATOM 5 CB MET A 1 -9.627 1.117 2.342 1.00 50.00 C ATOM 6 CG MET A 1 -9.697 -0.403 2.285 1.00 50.00 C ATOM 7 SD MET A 1 -8.868 -1.083 0.834 1.00 75.00 S ATOM 8 CE MET A 1 -7.156 -0.726 1.224 1.00 75.00 C ATOM 0 H1 MET A 1 -12.269 1.110 3.941 1.00 50.00 H new ATOM 0 H2 MET A 1 -12.154 2.727 3.435 1.00 50.00 H new ATOM 0 H3 MET A 1 -11.983 1.470 2.306 1.00 50.00 H new ATOM 0 HA MET A 1 -10.177 1.128 4.418 1.00 50.00 H new ATOM 0 HB2 MET A 1 -10.048 1.523 1.422 1.00 50.00 H new ATOM 0 HB3 MET A 1 -8.580 1.419 2.375 1.00 50.00 H new ATOM 0 HG2 MET A 1 -9.244 -0.818 3.185 1.00 50.00 H new ATOM 0 HG3 MET A 1 -10.741 -0.715 2.281 1.00 50.00 H new ATOM 0 HE1 MET A 1 -6.505 -1.281 0.548 1.00 75.00 H new ATOM 0 HE2 MET A 1 -6.972 0.342 1.110 1.00 75.00 H new ATOM 0 HE3 MET A 1 -6.948 -1.022 2.252 1.00 75.00 H new ATOM 20 N LYS A 2 -10.492 3.860 4.695 1.00 50.00 N ATOM 21 CA LYS A 2 -10.101 5.225 5.025 1.00 50.00 C ATOM 22 C LYS A 2 -9.027 5.243 6.107 1.00 50.00 C ATOM 23 O LYS A 2 -9.123 4.525 7.102 1.00 50.00 O ATOM 24 CB LYS A 2 -11.316 6.036 5.477 1.00 50.00 C ATOM 25 CG LYS A 2 -11.028 7.507 5.742 1.00 50.00 C ATOM 26 CD LYS A 2 -12.310 8.284 6.002 1.00 50.00 C ATOM 27 CE LYS A 2 -12.024 9.758 6.248 1.00 75.00 C ATOM 28 NZ LYS A 2 -13.269 10.573 6.256 1.00 75.00 N ATOM 0 H LYS A 2 -11.312 3.523 5.200 1.00 50.00 H new ATOM 0 HA LYS A 2 -9.687 5.680 4.125 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.091 5.962 4.714 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.719 5.588 6.385 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.363 7.600 6.601 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.507 7.937 4.887 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -12.980 8.179 5.149 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.824 7.862 6.866 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -11.509 9.873 7.202 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.351 10.131 5.475 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -13.047 11.543 6.559 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -13.676 10.594 5.299 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -13.955 10.152 6.915 1.00 75.00 H new ATOM 42 N ILE A 3 -8.007 6.070 5.906 1.00 50.00 N ATOM 43 CA ILE A 3 -6.804 6.017 6.729 1.00 50.00 C ATOM 44 C ILE A 3 -7.021 6.713 8.066 1.00 50.00 C ATOM 45 O ILE A 3 -7.577 7.809 8.123 1.00 50.00 O ATOM 46 CB ILE A 3 -5.602 6.660 6.014 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.281 5.903 4.723 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.390 6.689 6.934 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.236 6.577 3.863 1.00 50.00 C ATOM 0 H ILE A 3 -7.989 6.786 5.180 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.588 4.963 6.903 1.00 50.00 H new ATOM 0 HB ILE A 3 -5.861 7.687 5.755 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.937 4.900 4.977 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -6.197 5.789 4.143 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.549 7.147 6.413 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -4.624 7.270 7.826 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -4.128 5.671 7.223 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -4.063 5.981 2.967 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -4.585 7.569 3.577 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.306 6.667 4.424 1.00 50.00 H new ATOM 61 N ILE A 4 -6.578 6.068 9.142 1.00 10.00 N ATOM 62 CA ILE A 4 -6.553 6.699 10.455 1.00 10.00 C ATOM 63 C ILE A 4 -5.183 7.291 10.757 1.00 10.00 C ATOM 64 O ILE A 4 -5.075 8.428 11.219 1.00 50.00 O ATOM 65 CB ILE A 4 -6.926 5.703 11.569 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.367 5.215 11.386 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.745 6.340 12.936 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.734 4.050 12.279 1.00 50.00 C ATOM 0 H ILE A 4 -6.232 5.109 9.129 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.294 7.498 10.431 1.00 10.00 H new ATOM 0 HB ILE A 4 -6.260 4.843 11.503 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -9.049 6.042 11.584 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.513 4.924 10.346 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -7.013 5.622 13.711 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.705 6.639 13.063 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.387 7.217 13.017 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.768 3.761 12.093 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -8.077 3.207 12.065 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.621 4.342 13.323 1.00 50.00 H new ATOM 80 N SER A 5 -4.137 6.515 10.492 1.00 10.00 N ATOM 81 CA SER A 5 -2.770 6.963 10.732 1.00 10.00 C ATOM 82 C SER A 5 -1.768 6.110 9.965 1.00 10.00 C ATOM 83 O SER A 5 -1.905 4.888 9.893 1.00 50.00 O ATOM 84 CB SER A 5 -2.463 6.932 12.215 1.00 50.00 C ATOM 85 OG SER A 5 -1.137 7.296 12.487 1.00 50.00 O ATOM 0 H SER A 5 -4.210 5.572 10.111 1.00 10.00 H new ATOM 0 HA SER A 5 -2.681 7.988 10.373 1.00 10.00 H new ATOM 0 HB2 SER A 5 -3.139 7.608 12.739 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.650 5.931 12.603 1.00 50.00 H new ATOM 0 HG SER A 5 -0.981 7.265 13.454 1.00 50.00 H new ATOM 91 N ILE A 6 -0.760 6.758 9.393 1.00 10.00 N ATOM 92 CA ILE A 6 0.297 6.056 8.677 1.00 10.00 C ATOM 93 C ILE A 6 1.563 5.963 9.520 1.00 10.00 C ATOM 94 O ILE A 6 2.186 6.976 9.835 1.00 50.00 O ATOM 95 CB ILE A 6 0.631 6.743 7.340 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.607 6.785 6.439 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.777 6.026 6.644 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.408 7.575 5.166 1.00 50.00 C ATOM 0 H ILE A 6 -0.653 7.772 9.412 1.00 10.00 H new ATOM 0 HA ILE A 6 -0.076 5.052 8.473 1.00 10.00 H new ATOM 0 HB ILE A 6 0.943 7.767 7.544 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.892 5.765 6.182 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.437 7.217 6.998 1.00 50.00 H new ATOM 0 HG21 ILE A 6 1.999 6.525 5.701 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.660 6.046 7.282 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.494 4.992 6.449 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.327 7.559 4.581 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.153 8.605 5.413 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.400 7.131 4.585 1.00 50.00 H new ATOM 110 N SER A 7 1.939 4.740 9.881 1.00 10.00 N ATOM 111 CA SER A 7 3.091 4.518 10.745 1.00 10.00 C ATOM 112 C SER A 7 4.316 4.113 9.935 1.00 10.00 C ATOM 113 O SER A 7 4.198 3.465 8.895 1.00 50.00 O ATOM 114 CB SER A 7 2.769 3.458 11.781 1.00 50.00 C ATOM 115 OG SER A 7 3.888 3.120 12.554 1.00 50.00 O ATOM 0 H SER A 7 1.462 3.888 9.588 1.00 10.00 H new ATOM 0 HA SER A 7 3.320 5.454 11.254 1.00 10.00 H new ATOM 0 HB2 SER A 7 1.974 3.819 12.433 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.391 2.566 11.281 1.00 50.00 H new ATOM 0 HG SER A 7 3.638 2.436 13.210 1.00 50.00 H new ATOM 121 N GLU A 8 5.492 4.498 10.420 1.00 10.00 N ATOM 122 CA GLU A 8 6.747 4.011 9.861 1.00 50.00 C ATOM 123 C GLU A 8 7.102 2.638 10.418 1.00 10.00 C ATOM 124 O GLU A 8 6.487 2.168 11.374 1.00 50.00 O ATOM 125 CB GLU A 8 7.880 5.002 10.142 1.00 50.00 C ATOM 126 CG GLU A 8 7.730 6.344 9.441 1.00 50.00 C ATOM 127 CD GLU A 8 8.799 7.308 9.869 1.00 50.00 C ATOM 128 OE1 GLU A 8 9.955 7.004 9.688 1.00 50.00 O ATOM 129 OE2 GLU A 8 8.463 8.396 10.276 1.00 50.00 O ATOM 0 H GLU A 8 5.602 5.146 11.200 1.00 10.00 H new ATOM 0 HA GLU A 8 6.618 3.918 8.783 1.00 50.00 H new ATOM 0 HB2 GLU A 8 7.939 5.172 11.217 1.00 50.00 H new ATOM 0 HB3 GLU A 8 8.825 4.551 9.838 1.00 50.00 H new ATOM 0 HG2 GLU A 8 7.779 6.200 8.362 1.00 50.00 H new ATOM 0 HG3 GLU A 8 6.749 6.764 9.662 1.00 50.00 H new ATOM 136 N THR A 9 8.099 2.000 9.814 1.00 50.00 N ATOM 137 CA THR A 9 8.543 0.683 10.253 1.00 10.00 C ATOM 138 C THR A 9 10.063 0.609 10.323 1.00 10.00 C ATOM 139 O THR A 9 10.762 1.408 9.701 1.00 50.00 O ATOM 140 CB THR A 9 8.029 -0.427 9.320 1.00 50.00 C ATOM 141 OG1 THR A 9 8.611 -0.271 8.020 1.00 50.00 O ATOM 142 CG2 THR A 9 6.514 -0.365 9.202 1.00 50.00 C ATOM 0 H THR A 9 8.615 2.375 9.018 1.00 50.00 H new ATOM 0 HA THR A 9 8.128 0.529 11.249 1.00 10.00 H new ATOM 0 HB THR A 9 8.313 -1.392 9.739 1.00 50.00 H new ATOM 0 HG1 THR A 9 9.471 -0.739 7.988 1.00 50.00 H new ATOM 0 HG21 THR A 9 6.168 -1.157 8.538 1.00 50.00 H new ATOM 0 HG22 THR A 9 6.067 -0.496 10.187 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.220 0.603 8.796 1.00 50.00 H new ATOM 150 N PRO A 10 10.569 -0.354 11.086 1.00 50.00 N ATOM 151 CA PRO A 10 12.008 -0.545 11.224 1.00 50.00 C ATOM 152 C PRO A 10 12.682 -0.670 9.863 1.00 50.00 C ATOM 153 O PRO A 10 13.804 -0.205 9.671 1.00 50.00 O ATOM 154 CB PRO A 10 12.137 -1.827 12.053 1.00 50.00 C ATOM 155 CG PRO A 10 10.873 -1.890 12.840 1.00 50.00 C ATOM 156 CD PRO A 10 9.812 -1.317 11.939 1.00 50.00 C ATOM 0 HA PRO A 10 12.502 0.300 11.703 1.00 50.00 H new ATOM 0 HB2 PRO A 10 12.251 -2.703 11.414 1.00 50.00 H new ATOM 0 HB3 PRO A 10 13.010 -1.792 12.705 1.00 50.00 H new ATOM 0 HG2 PRO A 10 10.637 -2.916 13.122 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.956 -1.317 13.763 1.00 50.00 H new ATOM 0 HD2 PRO A 10 9.331 -2.091 11.342 1.00 50.00 H new ATOM 0 HD3 PRO A 10 9.027 -0.819 12.508 1.00 50.00 H new ATOM 164 N ASN A 11 11.989 -1.302 8.923 1.00 50.00 N ATOM 165 CA ASN A 11 12.456 -1.370 7.543 1.00 50.00 C ATOM 166 C ASN A 11 11.655 -0.437 6.644 1.00 50.00 C ATOM 167 O ASN A 11 10.471 -0.660 6.396 1.00 50.00 O ATOM 168 CB ASN A 11 12.399 -2.789 7.008 1.00 50.00 C ATOM 169 CG ASN A 11 12.950 -2.934 5.617 1.00 50.00 C ATOM 170 OD1 ASN A 11 13.088 -1.953 4.876 1.00 75.00 O ATOM 171 ND2 ASN A 11 13.190 -4.161 5.229 1.00 50.00 N ATOM 0 H ASN A 11 11.101 -1.775 9.091 1.00 50.00 H new ATOM 0 HA ASN A 11 13.496 -1.045 7.539 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.955 -3.443 7.679 1.00 50.00 H new ATOM 0 HB3 ASN A 11 11.364 -3.129 7.016 1.00 50.00 H new ATOM 0 HD21 ASN A 11 13.506 -4.342 4.276 1.00 50.00 H new ATOM 0 HD22 ASN A 11 13.061 -4.936 5.879 1.00 50.00 H new ATOM 178 N HIS A 12 12.311 0.612 6.156 1.00 50.00 N ATOM 179 CA HIS A 12 11.617 1.699 5.479 1.00 50.00 C ATOM 180 C HIS A 12 11.486 1.423 3.986 1.00 50.00 C ATOM 181 O HIS A 12 11.265 2.337 3.192 1.00 50.00 O ATOM 182 CB HIS A 12 12.347 3.029 5.701 1.00 50.00 C ATOM 183 CG HIS A 12 12.100 3.631 7.050 1.00 50.00 C ATOM 184 ND1 HIS A 12 12.879 3.338 8.149 1.00 75.00 N ATOM 185 CD2 HIS A 12 11.162 4.507 7.477 1.00 50.00 C ATOM 186 CE1 HIS A 12 12.431 4.009 9.195 1.00 75.00 C ATOM 187 NE2 HIS A 12 11.390 4.727 8.813 1.00 75.00 N ATOM 0 H HIS A 12 13.322 0.731 6.218 1.00 50.00 H new ATOM 0 HA HIS A 12 10.617 1.768 5.906 1.00 50.00 H new ATOM 0 HB2 HIS A 12 13.418 2.872 5.573 1.00 50.00 H new ATOM 0 HB3 HIS A 12 12.035 3.737 4.934 1.00 50.00 H new ATOM 0 HD2 HIS A 12 10.380 4.951 6.879 1.00 50.00 H new ATOM 0 HE1 HIS A 12 12.845 3.976 10.192 1.00 75.00 H new ATOM 0 HE2 HIS A 12 10.844 5.345 9.413 1.00 75.00 H new ATOM 195 N ASN A 13 11.622 0.155 3.610 1.00 10.00 N ATOM 196 CA ASN A 13 11.226 -0.296 2.282 1.00 10.00 C ATOM 197 C ASN A 13 9.738 -0.619 2.232 1.00 10.00 C ATOM 198 O ASN A 13 9.189 -0.901 1.167 1.00 50.00 O ATOM 199 CB ASN A 13 12.039 -1.499 1.840 1.00 50.00 C ATOM 200 CG ASN A 13 13.456 -1.165 1.459 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.794 -0.005 1.206 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.263 -2.187 1.340 1.00 50.00 N ATOM 0 H ASN A 13 12.004 -0.578 4.207 1.00 10.00 H new ATOM 0 HA ASN A 13 11.425 0.523 1.590 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.052 -2.233 2.646 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.544 -1.968 0.989 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.223 -2.045 1.025 1.00 50.00 H new ATOM 0 HD22 ASN A 13 13.933 -3.126 1.562 1.00 50.00 H new ATOM 209 N THR A 14 9.090 -0.576 3.391 1.00 10.00 N ATOM 210 CA THR A 14 7.641 -0.725 3.465 1.00 10.00 C ATOM 211 C THR A 14 7.046 0.184 4.531 1.00 10.00 C ATOM 212 O THR A 14 7.667 0.434 5.565 1.00 50.00 O ATOM 213 CB THR A 14 7.237 -2.181 3.764 1.00 50.00 C ATOM 214 OG1 THR A 14 5.809 -2.283 3.810 1.00 50.00 O ATOM 215 CG2 THR A 14 7.816 -2.632 5.096 1.00 50.00 C ATOM 0 H THR A 14 9.546 -0.439 4.293 1.00 10.00 H new ATOM 0 HA THR A 14 7.247 -0.441 2.489 1.00 10.00 H new ATOM 0 HB THR A 14 7.629 -2.821 2.973 1.00 50.00 H new ATOM 0 HG1 THR A 14 5.555 -3.105 4.278 1.00 50.00 H new ATOM 0 HG21 THR A 14 7.520 -3.663 5.291 1.00 50.00 H new ATOM 0 HG22 THR A 14 8.903 -2.567 5.061 1.00 50.00 H new ATOM 0 HG23 THR A 14 7.440 -1.990 5.892 1.00 50.00 H new ATOM 223 N MET A 15 5.840 0.679 4.274 1.00 10.00 N ATOM 224 CA MET A 15 5.139 1.524 5.234 1.00 10.00 C ATOM 225 C MET A 15 3.875 0.843 5.745 1.00 10.00 C ATOM 226 O MET A 15 3.287 0.009 5.057 1.00 50.00 O ATOM 227 CB MET A 15 4.795 2.870 4.598 1.00 50.00 C ATOM 228 CG MET A 15 5.999 3.748 4.292 1.00 50.00 C ATOM 229 SD MET A 15 6.782 4.397 5.782 1.00 50.00 S ATOM 230 CE MET A 15 5.525 5.534 6.358 1.00 50.00 C ATOM 0 H MET A 15 5.327 0.510 3.409 1.00 10.00 H new ATOM 0 HA MET A 15 5.800 1.691 6.085 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.247 2.691 3.673 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.125 3.413 5.265 1.00 50.00 H new ATOM 0 HG2 MET A 15 6.729 3.172 3.724 1.00 50.00 H new ATOM 0 HG3 MET A 15 5.687 4.579 3.659 1.00 50.00 H new ATOM 0 HE1 MET A 15 5.994 6.340 6.922 1.00 50.00 H new ATOM 0 HE2 MET A 15 4.993 5.952 5.503 1.00 50.00 H new ATOM 0 HE3 MET A 15 4.821 5.004 7.000 1.00 50.00 H new ATOM 240 N LYS A 16 3.463 1.205 6.954 1.00 10.00 N ATOM 241 CA LYS A 16 2.262 0.640 7.555 1.00 10.00 C ATOM 242 C LYS A 16 1.141 1.670 7.622 1.00 10.00 C ATOM 243 O LYS A 16 1.310 2.748 8.192 1.00 50.00 O ATOM 244 CB LYS A 16 2.565 0.101 8.954 1.00 50.00 C ATOM 245 CG LYS A 16 1.353 -0.455 9.691 1.00 50.00 C ATOM 246 CD LYS A 16 1.710 -0.868 11.111 1.00 50.00 C ATOM 247 CE LYS A 16 0.478 -1.309 11.886 1.00 50.00 C ATOM 248 NZ LYS A 16 0.815 -1.739 13.271 1.00 50.00 N ATOM 0 H LYS A 16 3.944 1.889 7.538 1.00 10.00 H new ATOM 0 HA LYS A 16 1.930 -0.184 6.923 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.317 -0.684 8.873 1.00 50.00 H new ATOM 0 HB3 LYS A 16 3.003 0.901 9.551 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.564 0.297 9.716 1.00 50.00 H new ATOM 0 HG3 LYS A 16 0.958 -1.314 9.149 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.435 -1.681 11.084 1.00 50.00 H new ATOM 0 HD3 LYS A 16 2.186 -0.033 11.626 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.239 -0.489 11.925 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.007 -2.131 11.359 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.052 -2.032 13.764 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.479 -2.539 13.234 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 1.254 -0.948 13.783 1.00 50.00 H new ATOM 262 N ILE A 17 -0.002 1.331 7.036 1.00 10.00 N ATOM 263 CA ILE A 17 -1.138 2.245 6.986 1.00 10.00 C ATOM 264 C ILE A 17 -2.341 1.669 7.721 1.00 10.00 C ATOM 265 O ILE A 17 -2.923 0.673 7.292 1.00 50.00 O ATOM 266 CB ILE A 17 -1.539 2.568 5.536 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.363 3.196 4.783 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.746 3.495 5.512 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.635 3.433 3.314 1.00 50.00 C ATOM 0 H ILE A 17 -0.167 0.429 6.589 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.823 3.165 7.478 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.810 1.638 5.036 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.108 4.146 5.253 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.507 2.547 4.882 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.016 3.713 4.479 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.585 3.012 6.013 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.502 4.424 6.027 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.244 3.880 2.849 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.860 2.484 2.828 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.485 4.107 3.205 1.00 50.00 H new ATOM 281 N THR A 18 -2.707 2.300 8.832 1.00 10.00 N ATOM 282 CA THR A 18 -3.844 1.851 9.628 1.00 10.00 C ATOM 283 C THR A 18 -5.157 2.370 9.057 1.00 10.00 C ATOM 284 O THR A 18 -5.323 3.572 8.850 1.00 50.00 O ATOM 285 CB THR A 18 -3.720 2.304 11.094 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.536 1.737 11.673 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.933 1.858 11.895 1.00 50.00 C ATOM 0 H THR A 18 -2.233 3.124 9.202 1.00 10.00 H new ATOM 0 HA THR A 18 -3.841 0.762 9.591 1.00 10.00 H new ATOM 0 HB THR A 18 -3.661 3.392 11.118 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.457 2.027 12.606 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.827 2.187 12.929 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.834 2.296 11.465 1.00 50.00 H new ATOM 0 HG23 THR A 18 -5.008 0.771 11.866 1.00 50.00 H new ATOM 295 N LEU A 19 -6.088 1.457 8.802 1.00 10.00 N ATOM 296 CA LEU A 19 -7.363 1.812 8.191 1.00 50.00 C ATOM 297 C LEU A 19 -8.516 1.614 9.166 1.00 10.00 C ATOM 298 O LEU A 19 -8.435 0.790 10.078 1.00 50.00 O ATOM 299 CB LEU A 19 -7.590 0.982 6.921 1.00 50.00 C ATOM 300 CG LEU A 19 -6.480 1.085 5.867 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.793 0.171 4.689 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.347 2.530 5.408 1.00 50.00 C ATOM 0 H LEU A 19 -5.983 0.464 9.010 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.328 2.868 7.924 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.703 -0.064 7.205 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.531 1.293 6.466 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.533 0.767 6.303 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.000 0.251 3.946 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.862 -0.860 5.037 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.741 0.467 4.241 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.558 2.603 4.659 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.290 2.862 4.975 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.097 3.161 6.261 1.00 50.00 H new ATOM 314 N SER A 20 -9.587 2.373 8.970 1.00 10.00 N ATOM 315 CA SER A 20 -10.774 2.258 9.810 1.00 10.00 C ATOM 316 C SER A 20 -11.668 1.115 9.347 1.00 50.00 C ATOM 317 O SER A 20 -12.040 0.247 10.136 1.00 50.00 O ATOM 318 CB SER A 20 -11.543 3.565 9.810 1.00 50.00 C ATOM 319 OG SER A 20 -12.015 3.896 8.533 1.00 50.00 O ATOM 0 H SER A 20 -9.659 3.077 8.235 1.00 10.00 H new ATOM 0 HA SER A 20 -10.450 2.038 10.827 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.384 3.491 10.499 1.00 50.00 H new ATOM 0 HB3 SER A 20 -10.899 4.364 10.177 1.00 50.00 H new ATOM 0 HG SER A 20 -12.506 4.743 8.575 1.00 50.00 H new ATOM 325 N GLU A 21 -12.011 1.121 8.063 1.00 50.00 N ATOM 326 CA GLU A 21 -12.790 0.040 7.472 1.00 50.00 C ATOM 327 C GLU A 21 -12.041 -0.609 6.317 1.00 75.00 C ATOM 328 O GLU A 21 -12.114 -0.148 5.178 1.00 75.00 O ATOM 329 CB GLU A 21 -14.148 0.558 6.994 1.00 50.00 C ATOM 330 CG GLU A 21 -15.061 1.051 8.108 1.00 50.00 C ATOM 331 CD GLU A 21 -16.400 1.473 7.570 1.00 75.00 C ATOM 332 OE1 GLU A 21 -16.619 1.326 6.392 1.00 75.00 O ATOM 333 OE2 GLU A 21 -17.244 1.839 8.354 1.00 75.00 O ATOM 0 H GLU A 21 -11.761 1.864 7.411 1.00 50.00 H new ATOM 0 HA GLU A 21 -12.951 -0.715 8.241 1.00 50.00 H new ATOM 0 HB2 GLU A 21 -13.985 1.372 6.288 1.00 50.00 H new ATOM 0 HB3 GLU A 21 -14.656 -0.238 6.450 1.00 50.00 H new ATOM 0 HG2 GLU A 21 -15.196 0.261 8.847 1.00 50.00 H new ATOM 0 HG3 GLU A 21 -14.592 1.890 8.621 1.00 50.00 H new ATOM 340 N SER A 22 -11.321 -1.685 6.615 1.00 75.00 N ATOM 341 CA SER A 22 -10.454 -2.325 5.633 1.00 75.00 C ATOM 342 C SER A 22 -11.194 -3.418 4.873 1.00 75.00 C ATOM 343 O SER A 22 -12.422 -3.479 4.893 1.00 75.00 O ATOM 344 CB SER A 22 -9.224 -2.893 6.313 1.00 75.00 C ATOM 345 OG SER A 22 -8.263 -3.327 5.390 1.00 75.00 O ATOM 0 H SER A 22 -11.321 -2.133 7.531 1.00 75.00 H new ATOM 0 HA SER A 22 -10.143 -1.569 4.912 1.00 75.00 H new ATOM 0 HB2 SER A 22 -8.786 -2.134 6.961 1.00 75.00 H new ATOM 0 HB3 SER A 22 -9.516 -3.727 6.951 1.00 75.00 H new ATOM 0 HG SER A 22 -7.922 -4.205 5.661 1.00 75.00 H new ATOM 351 N ARG A 23 -10.437 -4.281 4.203 1.00 75.00 N ATOM 352 CA ARG A 23 -11.014 -5.421 3.502 1.00 75.00 C ATOM 353 C ARG A 23 -12.010 -6.164 4.385 1.00 75.00 C ATOM 354 O ARG A 23 -11.776 -6.352 5.579 1.00 75.00 O ATOM 355 CB ARG A 23 -9.948 -6.359 2.956 1.00 75.00 C ATOM 356 CG ARG A 23 -10.483 -7.570 2.206 1.00 75.00 C ATOM 357 CD ARG A 23 -9.435 -8.521 1.753 1.00 75.00 C ATOM 358 NE ARG A 23 -9.947 -9.703 1.080 1.00 75.00 N ATOM 359 CZ ARG A 23 -9.178 -10.669 0.539 1.00 75.00 C ATOM 360 NH1 ARG A 23 -7.867 -10.580 0.559 1.00 75.00 N ATOM 361 NH2 ARG A 23 -9.778 -11.699 -0.031 1.00 75.00 N ATOM 0 H ARG A 23 -9.422 -4.212 4.131 1.00 75.00 H new ATOM 0 HA ARG A 23 -11.557 -5.027 2.643 1.00 75.00 H new ATOM 0 HB2 ARG A 23 -9.296 -5.795 2.288 1.00 75.00 H new ATOM 0 HB3 ARG A 23 -9.331 -6.707 3.785 1.00 75.00 H new ATOM 0 HG2 ARG A 23 -11.185 -8.100 2.850 1.00 75.00 H new ATOM 0 HG3 ARG A 23 -11.045 -7.226 1.338 1.00 75.00 H new ATOM 0 HD2 ARG A 23 -8.755 -8.000 1.079 1.00 75.00 H new ATOM 0 HD3 ARG A 23 -8.849 -8.835 2.617 1.00 75.00 H new ATOM 0 HE ARG A 23 -10.959 -9.809 1.012 1.00 75.00 H new ATOM 0 HH11 ARG A 23 -7.417 -9.771 0.988 1.00 75.00 H new ATOM 0 HH12 ARG A 23 -7.299 -11.320 0.145 1.00 75.00 H new ATOM 0 HH21 ARG A 23 -10.797 -11.748 -0.053 1.00 75.00 H new ATOM 0 HH22 ARG A 23 -9.223 -12.445 -0.449 1.00 75.00 H new ATOM 375 N GLU A 24 -13.121 -6.586 3.790 1.00 75.00 N ATOM 376 CA GLU A 24 -14.147 -7.323 4.518 1.00 75.00 C ATOM 377 C GLU A 24 -13.530 -8.392 5.410 1.00 75.00 C ATOM 378 O GLU A 24 -13.708 -8.376 6.627 1.00 75.00 O ATOM 379 CB GLU A 24 -15.142 -7.958 3.545 1.00 75.00 C ATOM 380 CG GLU A 24 -16.293 -8.695 4.213 1.00 75.00 C ATOM 381 CD GLU A 24 -17.213 -9.310 3.196 1.00 75.00 C ATOM 382 OE1 GLU A 24 -16.934 -9.197 2.026 1.00 75.00 O ATOM 383 OE2 GLU A 24 -18.131 -9.991 3.589 1.00 75.00 O ATOM 0 H GLU A 24 -13.334 -6.430 2.805 1.00 75.00 H new ATOM 0 HA GLU A 24 -14.678 -6.615 5.154 1.00 75.00 H new ATOM 0 HB2 GLU A 24 -15.551 -7.178 2.902 1.00 75.00 H new ATOM 0 HB3 GLU A 24 -14.606 -8.655 2.900 1.00 75.00 H new ATOM 0 HG2 GLU A 24 -15.899 -9.473 4.867 1.00 75.00 H new ATOM 0 HG3 GLU A 24 -16.854 -8.004 4.842 1.00 75.00 H new ATOM 390 N GLY A 25 -12.804 -9.320 4.796 1.00 75.00 N ATOM 391 CA GLY A 25 -12.009 -10.288 5.542 1.00 75.00 C ATOM 392 C GLY A 25 -10.778 -9.636 6.155 1.00 50.00 C ATOM 393 O GLY A 25 -9.939 -9.080 5.446 1.00 75.00 O ATOM 0 H GLY A 25 -12.750 -9.422 3.783 1.00 75.00 H new ATOM 0 HA2 GLY A 25 -12.618 -10.733 6.329 1.00 75.00 H new ATOM 0 HA3 GLY A 25 -11.703 -11.098 4.880 1.00 75.00 H new ATOM 397 N MET A 26 -10.675 -9.705 7.478 1.00 50.00 N ATOM 398 CA MET A 26 -9.546 -9.119 8.191 1.00 50.00 C ATOM 399 C MET A 26 -8.427 -10.134 8.382 1.00 50.00 C ATOM 400 O MET A 26 -7.985 -10.380 9.503 1.00 50.00 O ATOM 401 CB MET A 26 -10.002 -8.574 9.543 1.00 50.00 C ATOM 402 CG MET A 26 -11.018 -7.444 9.457 1.00 50.00 C ATOM 403 SD MET A 26 -10.405 -6.026 8.527 1.00 50.00 S ATOM 404 CE MET A 26 -11.895 -5.044 8.384 1.00 50.00 C ATOM 0 H MET A 26 -11.361 -10.162 8.079 1.00 50.00 H new ATOM 0 HA MET A 26 -9.156 -8.298 7.589 1.00 50.00 H new ATOM 0 HB2 MET A 26 -10.433 -9.390 10.123 1.00 50.00 H new ATOM 0 HB3 MET A 26 -9.129 -8.220 10.091 1.00 50.00 H new ATOM 0 HG2 MET A 26 -11.929 -7.815 8.987 1.00 50.00 H new ATOM 0 HG3 MET A 26 -11.286 -7.124 10.464 1.00 50.00 H new ATOM 0 HE1 MET A 26 -11.736 -4.245 7.659 1.00 50.00 H new ATOM 0 HE2 MET A 26 -12.718 -5.677 8.052 1.00 50.00 H new ATOM 0 HE3 MET A 26 -12.140 -4.611 9.354 1.00 50.00 H new ATOM 414 N THR A 27 -7.972 -10.720 7.279 1.00 50.00 N ATOM 415 CA THR A 27 -6.915 -11.724 7.326 1.00 50.00 C ATOM 416 C THR A 27 -5.749 -11.339 6.425 1.00 50.00 C ATOM 417 O THR A 27 -5.813 -10.342 5.703 1.00 50.00 O ATOM 418 CB THR A 27 -7.436 -13.113 6.909 1.00 50.00 C ATOM 419 OG1 THR A 27 -7.805 -13.090 5.523 1.00 50.00 O ATOM 420 CG2 THR A 27 -8.645 -13.502 7.745 1.00 75.00 C ATOM 0 H THR A 27 -8.319 -10.517 6.342 1.00 50.00 H new ATOM 0 HA THR A 27 -6.572 -11.770 8.359 1.00 50.00 H new ATOM 0 HB THR A 27 -6.645 -13.846 7.070 1.00 50.00 H new ATOM 0 HG1 THR A 27 -8.135 -13.974 5.258 1.00 50.00 H new ATOM 0 HG21 THR A 27 -8.999 -14.486 7.437 1.00 75.00 H new ATOM 0 HG22 THR A 27 -8.365 -13.531 8.798 1.00 75.00 H new ATOM 0 HG23 THR A 27 -9.438 -12.769 7.600 1.00 75.00 H new ATOM 428 N SER A 28 -4.685 -12.132 6.470 1.00 10.00 N ATOM 429 CA SER A 28 -3.487 -11.854 5.686 1.00 10.00 C ATOM 430 C SER A 28 -3.692 -12.220 4.222 1.00 10.00 C ATOM 431 O SER A 28 -4.393 -13.180 3.904 1.00 50.00 O ATOM 432 CB SER A 28 -2.302 -12.608 6.258 1.00 50.00 C ATOM 433 OG SER A 28 -2.445 -13.994 6.125 1.00 50.00 O ATOM 0 H SER A 28 -4.627 -12.974 7.042 1.00 10.00 H new ATOM 0 HA SER A 28 -3.286 -10.784 5.740 1.00 10.00 H new ATOM 0 HB2 SER A 28 -1.391 -12.288 5.752 1.00 50.00 H new ATOM 0 HB3 SER A 28 -2.187 -12.355 7.312 1.00 50.00 H new ATOM 0 HG SER A 28 -1.660 -14.442 6.504 1.00 50.00 H new ATOM 439 N ASP A 29 -3.075 -11.449 3.333 1.00 10.00 N ATOM 440 CA ASP A 29 -3.071 -11.770 1.912 1.00 10.00 C ATOM 441 C ASP A 29 -2.047 -10.930 1.159 1.00 10.00 C ATOM 442 O ASP A 29 -1.697 -9.831 1.587 1.00 50.00 O ATOM 443 CB ASP A 29 -4.464 -11.563 1.311 1.00 50.00 C ATOM 444 CG ASP A 29 -4.723 -12.350 0.035 1.00 50.00 C ATOM 445 OD1 ASP A 29 -3.817 -12.997 -0.434 1.00 50.00 O ATOM 446 OD2 ASP A 29 -5.857 -12.425 -0.375 1.00 50.00 O ATOM 0 H ASP A 29 -2.570 -10.596 3.573 1.00 10.00 H new ATOM 0 HA ASP A 29 -2.793 -12.819 1.809 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.212 -11.842 2.053 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.602 -10.502 1.103 1.00 50.00 H new ATOM 451 N THR A 30 -1.571 -11.454 0.035 1.00 10.00 N ATOM 452 CA THR A 30 -0.519 -10.797 -0.730 1.00 10.00 C ATOM 453 C THR A 30 -0.964 -10.532 -2.163 1.00 10.00 C ATOM 454 O THR A 30 -1.463 -11.427 -2.844 1.00 50.00 O ATOM 455 CB THR A 30 0.772 -11.636 -0.753 1.00 50.00 C ATOM 456 OG1 THR A 30 1.230 -11.849 0.589 1.00 50.00 O ATOM 457 CG2 THR A 30 1.857 -10.925 -1.548 1.00 50.00 C ATOM 0 H THR A 30 -1.898 -12.333 -0.367 1.00 10.00 H new ATOM 0 HA THR A 30 -0.316 -9.848 -0.233 1.00 10.00 H new ATOM 0 HB THR A 30 0.557 -12.593 -1.228 1.00 50.00 H new ATOM 0 HG1 THR A 30 2.051 -12.384 0.573 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.762 -11.533 -1.553 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.517 -10.772 -2.572 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.071 -9.960 -1.089 1.00 50.00 H new ATOM 465 N TYR A 31 -0.781 -9.295 -2.613 1.00 10.00 N ATOM 466 CA TYR A 31 -1.112 -8.922 -3.985 1.00 10.00 C ATOM 467 C TYR A 31 0.063 -8.230 -4.666 1.00 10.00 C ATOM 468 O TYR A 31 0.516 -7.174 -4.222 1.00 50.00 O ATOM 469 CB TYR A 31 -2.343 -8.015 -4.011 1.00 50.00 C ATOM 470 CG TYR A 31 -3.595 -8.666 -3.464 1.00 50.00 C ATOM 471 CD1 TYR A 31 -4.382 -9.477 -4.268 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.986 -8.466 -2.150 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.527 -10.073 -3.775 1.00 50.00 C ATOM 474 CE2 TYR A 31 -5.128 -9.057 -1.645 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.897 -9.861 -2.463 1.00 50.00 C ATOM 476 OH TYR A 31 -7.036 -10.452 -1.968 1.00 50.00 O ATOM 0 H TYR A 31 -0.405 -8.533 -2.048 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.335 -9.836 -4.535 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -2.131 -7.115 -3.434 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -2.528 -7.699 -5.038 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -4.095 -9.645 -5.296 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -3.387 -7.836 -1.509 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -6.129 -10.702 -4.414 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -5.417 -8.891 -0.618 1.00 50.00 H new ATOM 0 HH TYR A 31 -7.759 -10.369 -2.624 1.00 50.00 H new ATOM 486 N THR A 32 0.552 -8.831 -5.745 1.00 10.00 N ATOM 487 CA THR A 32 1.725 -8.315 -6.442 1.00 10.00 C ATOM 488 C THR A 32 1.406 -8.003 -7.899 1.00 10.00 C ATOM 489 O THR A 32 1.996 -7.101 -8.493 1.00 50.00 O ATOM 490 CB THR A 32 2.897 -9.311 -6.386 1.00 50.00 C ATOM 491 OG1 THR A 32 2.524 -10.531 -7.041 1.00 50.00 O ATOM 492 CG2 THR A 32 3.274 -9.609 -4.942 1.00 50.00 C ATOM 0 H THR A 32 0.155 -9.676 -6.156 1.00 10.00 H new ATOM 0 HA THR A 32 2.016 -7.397 -5.932 1.00 10.00 H new ATOM 0 HB THR A 32 3.755 -8.868 -6.891 1.00 50.00 H new ATOM 0 HG1 THR A 32 3.272 -11.163 -7.006 1.00 50.00 H new ATOM 0 HG21 THR A 32 4.104 -10.315 -4.921 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.570 -8.685 -4.445 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.418 -10.041 -4.424 1.00 50.00 H new ATOM 500 N LYS A 33 0.470 -8.754 -8.469 1.00 10.00 N ATOM 501 CA LYS A 33 0.159 -8.645 -9.888 1.00 50.00 C ATOM 502 C LYS A 33 -1.218 -8.029 -10.106 1.00 50.00 C ATOM 503 O LYS A 33 -2.205 -8.469 -9.515 1.00 50.00 O ATOM 504 CB LYS A 33 0.235 -10.016 -10.562 1.00 50.00 C ATOM 505 CG LYS A 33 -0.019 -9.995 -12.063 1.00 50.00 C ATOM 506 CD LYS A 33 0.041 -11.396 -12.654 1.00 50.00 C ATOM 507 CE LYS A 33 -0.283 -11.385 -14.141 1.00 75.00 C ATOM 508 NZ LYS A 33 -0.213 -12.747 -14.735 1.00 75.00 N ATOM 0 H LYS A 33 -0.087 -9.446 -7.968 1.00 10.00 H new ATOM 0 HA LYS A 33 0.901 -7.988 -10.341 1.00 50.00 H new ATOM 0 HB2 LYS A 33 1.221 -10.443 -10.379 1.00 50.00 H new ATOM 0 HB3 LYS A 33 -0.492 -10.679 -10.092 1.00 50.00 H new ATOM 0 HG2 LYS A 33 -0.996 -9.556 -12.262 1.00 50.00 H new ATOM 0 HG3 LYS A 33 0.721 -9.360 -12.550 1.00 50.00 H new ATOM 0 HD2 LYS A 33 1.035 -11.815 -12.500 1.00 50.00 H new ATOM 0 HD3 LYS A 33 -0.663 -12.044 -12.131 1.00 50.00 H new ATOM 0 HE2 LYS A 33 -1.281 -10.974 -14.292 1.00 75.00 H new ATOM 0 HE3 LYS A 33 0.414 -10.727 -14.659 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 -0.440 -12.696 -15.749 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 0.747 -13.130 -14.614 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 -0.896 -13.369 -14.258 1.00 75.00 H new ATOM 522 N VAL A 34 -1.277 -7.010 -10.956 1.00 50.00 N ATOM 523 CA VAL A 34 -2.531 -6.323 -11.239 1.00 50.00 C ATOM 524 C VAL A 34 -3.593 -7.295 -11.737 1.00 50.00 C ATOM 525 O VAL A 34 -3.381 -8.017 -12.712 1.00 50.00 O ATOM 526 CB VAL A 34 -2.340 -5.208 -12.286 1.00 50.00 C ATOM 527 CG1 VAL A 34 -3.682 -4.604 -12.672 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.407 -4.132 -11.753 1.00 50.00 C ATOM 0 H VAL A 34 -0.471 -6.642 -11.461 1.00 50.00 H new ATOM 0 HA VAL A 34 -2.863 -5.877 -10.301 1.00 50.00 H new ATOM 0 HB VAL A 34 -1.890 -5.646 -13.177 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -3.528 -3.819 -13.412 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.322 -5.379 -13.093 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.158 -4.181 -11.788 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.283 -3.353 -12.505 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -1.831 -3.698 -10.847 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.437 -4.573 -11.524 1.00 50.00 H new ATOM 538 N ASP A 35 -4.738 -7.309 -11.062 1.00 50.00 N ATOM 539 CA ASP A 35 -5.834 -8.196 -11.430 1.00 50.00 C ATOM 540 C ASP A 35 -7.173 -7.640 -10.962 1.00 50.00 C ATOM 541 O ASP A 35 -7.224 -6.663 -10.216 1.00 50.00 O ATOM 542 CB ASP A 35 -5.613 -9.593 -10.848 1.00 50.00 C ATOM 543 CG ASP A 35 -6.312 -10.711 -11.612 1.00 50.00 C ATOM 544 OD1 ASP A 35 -6.957 -10.421 -12.593 1.00 50.00 O ATOM 545 OD2 ASP A 35 -6.072 -11.854 -11.306 1.00 50.00 O ATOM 0 H ASP A 35 -4.930 -6.715 -10.256 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.855 -8.266 -12.518 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.543 -9.799 -10.825 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.961 -9.602 -9.815 1.00 50.00 H new ATOM 550 N ASP A 36 -8.257 -8.269 -11.406 1.00 50.00 N ATOM 551 CA ASP A 36 -9.599 -7.818 -11.061 1.00 50.00 C ATOM 552 C ASP A 36 -9.952 -8.186 -9.626 1.00 50.00 C ATOM 553 O ASP A 36 -10.957 -7.722 -9.084 1.00 50.00 O ATOM 554 CB ASP A 36 -10.630 -8.412 -12.023 1.00 50.00 C ATOM 555 CG ASP A 36 -10.595 -7.820 -13.426 1.00 50.00 C ATOM 556 OD1 ASP A 36 -9.978 -6.797 -13.603 1.00 50.00 O ATOM 557 OD2 ASP A 36 -11.048 -8.473 -14.337 1.00 50.00 O ATOM 0 H ASP A 36 -8.231 -9.093 -12.006 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.617 -6.732 -11.150 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.468 -9.488 -12.091 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.626 -8.266 -11.605 1.00 50.00 H new ATOM 562 N SER A 37 -9.121 -9.021 -9.013 1.00 50.00 N ATOM 563 CA SER A 37 -9.351 -9.465 -7.643 1.00 50.00 C ATOM 564 C SER A 37 -9.070 -8.348 -6.647 1.00 50.00 C ATOM 565 O SER A 37 -9.546 -8.381 -5.512 1.00 50.00 O ATOM 566 CB SER A 37 -8.494 -10.678 -7.336 1.00 50.00 C ATOM 567 OG SER A 37 -7.131 -10.357 -7.277 1.00 50.00 O ATOM 0 H SER A 37 -8.280 -9.405 -9.444 1.00 50.00 H new ATOM 0 HA SER A 37 -10.401 -9.741 -7.547 1.00 50.00 H new ATOM 0 HB2 SER A 37 -8.806 -11.111 -6.386 1.00 50.00 H new ATOM 0 HB3 SER A 37 -8.655 -11.438 -8.101 1.00 50.00 H new ATOM 0 HG SER A 37 -6.982 -9.484 -7.697 1.00 50.00 H new ATOM 573 N GLN A 38 -8.294 -7.360 -7.078 1.00 50.00 N ATOM 574 CA GLN A 38 -8.068 -6.161 -6.281 1.00 50.00 C ATOM 575 C GLN A 38 -8.985 -5.026 -6.722 1.00 50.00 C ATOM 576 O GLN A 38 -9.399 -4.965 -7.880 1.00 50.00 O ATOM 577 CB GLN A 38 -6.607 -5.714 -6.386 1.00 50.00 C ATOM 578 CG GLN A 38 -5.600 -6.781 -5.994 1.00 50.00 C ATOM 579 CD GLN A 38 -5.035 -7.512 -7.198 1.00 50.00 C ATOM 580 OE1 GLN A 38 -5.779 -8.067 -8.011 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.712 -7.521 -7.315 1.00 50.00 N ATOM 0 H GLN A 38 -7.810 -7.366 -7.976 1.00 50.00 H new ATOM 0 HA GLN A 38 -8.294 -6.406 -5.243 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.407 -5.401 -7.411 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.460 -4.840 -5.751 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -4.785 -6.320 -5.436 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.077 -7.499 -5.327 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.135 -7.049 -6.619 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -3.273 -8.000 -8.101 1.00 50.00 H new ATOM 590 N PRO A 39 -9.299 -4.130 -5.793 1.00 50.00 N ATOM 591 CA PRO A 39 -9.922 -2.857 -6.134 1.00 50.00 C ATOM 592 C PRO A 39 -9.162 -2.154 -7.250 1.00 50.00 C ATOM 593 O PRO A 39 -7.938 -2.250 -7.338 1.00 50.00 O ATOM 594 CB PRO A 39 -9.893 -2.063 -4.825 1.00 50.00 C ATOM 595 CG PRO A 39 -9.781 -3.102 -3.762 1.00 50.00 C ATOM 596 CD PRO A 39 -8.936 -4.195 -4.360 1.00 50.00 C ATOM 0 HA PRO A 39 -10.937 -2.972 -6.516 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -9.049 -1.374 -4.797 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -10.796 -1.466 -4.703 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -9.319 -2.696 -2.862 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -10.763 -3.477 -3.474 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -7.872 -4.018 -4.202 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -9.165 -5.169 -3.927 1.00 50.00 H new ATOM 604 N ALA A 40 -9.895 -1.445 -8.103 1.00 50.00 N ATOM 605 CA ALA A 40 -9.284 -0.634 -9.149 1.00 50.00 C ATOM 606 C ALA A 40 -8.225 0.298 -8.575 1.00 50.00 C ATOM 607 O ALA A 40 -7.138 0.439 -9.133 1.00 50.00 O ATOM 608 CB ALA A 40 -10.347 0.158 -9.895 1.00 50.00 C ATOM 0 H ALA A 40 -10.915 -1.416 -8.090 1.00 50.00 H new ATOM 0 HA ALA A 40 -8.792 -1.305 -9.853 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -9.875 0.758 -10.673 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.060 -0.529 -10.350 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -10.869 0.813 -9.198 1.00 50.00 H new ATOM 614 N PHE A 41 -8.552 0.937 -7.456 1.00 50.00 N ATOM 615 CA PHE A 41 -7.673 1.936 -6.860 1.00 50.00 C ATOM 616 C PHE A 41 -6.479 1.283 -6.178 1.00 50.00 C ATOM 617 O PHE A 41 -5.463 1.931 -5.930 1.00 50.00 O ATOM 618 CB PHE A 41 -8.446 2.796 -5.857 1.00 50.00 C ATOM 619 CG PHE A 41 -8.946 2.034 -4.665 1.00 50.00 C ATOM 620 CD1 PHE A 41 -8.103 1.751 -3.601 1.00 75.00 C ATOM 621 CD2 PHE A 41 -10.262 1.598 -4.602 1.00 75.00 C ATOM 622 CE1 PHE A 41 -8.562 1.049 -2.502 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.724 0.898 -3.506 1.00 75.00 C ATOM 624 CZ PHE A 41 -9.872 0.624 -2.454 1.00 75.00 C ATOM 0 H PHE A 41 -9.420 0.780 -6.944 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.300 2.573 -7.662 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.802 3.606 -5.515 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -9.294 3.256 -6.364 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -7.076 2.083 -3.631 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -10.933 1.809 -5.421 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -7.894 0.834 -1.681 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -11.751 0.565 -3.471 1.00 75.00 H new ATOM 0 HZ PHE A 41 -10.232 0.077 -1.595 1.00 75.00 H new ATOM 634 N ILE A 42 -6.606 -0.005 -5.877 1.00 50.00 N ATOM 635 CA ILE A 42 -5.463 -0.814 -5.473 1.00 50.00 C ATOM 636 C ILE A 42 -4.603 -1.192 -6.671 1.00 10.00 C ATOM 637 O ILE A 42 -3.380 -1.281 -6.565 1.00 50.00 O ATOM 638 CB ILE A 42 -5.909 -2.097 -4.746 1.00 50.00 C ATOM 639 CG1 ILE A 42 -6.585 -1.751 -3.416 1.00 50.00 C ATOM 640 CG2 ILE A 42 -4.721 -3.018 -4.520 1.00 50.00 C ATOM 641 CD1 ILE A 42 -5.697 -0.990 -2.460 1.00 50.00 C ATOM 0 H ILE A 42 -7.491 -0.511 -5.905 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.874 -0.205 -4.787 1.00 50.00 H new ATOM 0 HB ILE A 42 -6.633 -2.618 -5.373 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -7.478 -1.159 -3.616 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -6.914 -2.673 -2.936 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -5.053 -3.920 -4.005 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -4.283 -3.289 -5.481 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -3.975 -2.507 -3.912 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -6.246 -0.782 -1.541 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -4.815 -1.588 -2.228 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -5.388 -0.051 -2.919 1.00 50.00 H new ATOM 653 N ASN A 43 -5.250 -1.412 -7.811 1.00 10.00 N ATOM 654 CA ASN A 43 -4.540 -1.673 -9.056 1.00 10.00 C ATOM 655 C ASN A 43 -3.699 -0.472 -9.473 1.00 10.00 C ATOM 656 O ASN A 43 -2.587 -0.626 -9.978 1.00 50.00 O ATOM 657 CB ASN A 43 -5.495 -2.058 -10.171 1.00 50.00 C ATOM 658 CG ASN A 43 -6.081 -3.434 -10.017 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.496 -4.313 -9.373 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.192 -3.651 -10.674 1.00 50.00 N ATOM 0 H ASN A 43 -6.266 -1.415 -7.897 1.00 10.00 H new ATOM 0 HA ASN A 43 -3.873 -2.516 -8.875 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.305 -1.330 -10.211 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -4.969 -2.001 -11.124 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.614 -4.580 -10.670 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -7.636 -2.892 -11.190 1.00 50.00 H new ATOM 667 N ASP A 44 -4.239 0.722 -9.261 1.00 10.00 N ATOM 668 CA ASP A 44 -3.487 1.951 -9.476 1.00 10.00 C ATOM 669 C ASP A 44 -2.156 1.921 -8.736 1.00 10.00 C ATOM 670 O ASP A 44 -1.109 2.223 -9.308 1.00 50.00 O ATOM 671 CB ASP A 44 -4.306 3.167 -9.036 1.00 50.00 C ATOM 672 CG ASP A 44 -5.462 3.517 -9.962 1.00 50.00 C ATOM 673 OD1 ASP A 44 -5.510 2.986 -11.047 1.00 50.00 O ATOM 674 OD2 ASP A 44 -6.368 4.186 -9.524 1.00 50.00 O ATOM 0 H ASP A 44 -5.197 0.865 -8.940 1.00 10.00 H new ATOM 0 HA ASP A 44 -3.281 2.031 -10.543 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -4.700 2.981 -8.037 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -3.643 4.029 -8.962 1.00 50.00 H new ATOM 679 N ILE A 45 -2.204 1.554 -7.460 1.00 10.00 N ATOM 680 CA ILE A 45 -1.007 1.508 -6.630 1.00 10.00 C ATOM 681 C ILE A 45 0.057 0.609 -7.247 1.00 10.00 C ATOM 682 O ILE A 45 1.226 0.984 -7.333 1.00 50.00 O ATOM 683 CB ILE A 45 -1.322 1.011 -5.208 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.205 2.023 -4.472 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.038 0.760 -4.434 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.756 1.514 -3.160 1.00 50.00 C ATOM 0 H ILE A 45 -3.061 1.284 -6.978 1.00 10.00 H new ATOM 0 HA ILE A 45 -0.628 2.528 -6.572 1.00 10.00 H new ATOM 0 HB ILE A 45 -1.866 0.069 -5.284 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.626 2.928 -4.285 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.036 2.304 -5.119 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.281 0.409 -3.431 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.556 0.005 -4.949 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.533 1.686 -4.366 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.371 2.287 -2.699 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.363 0.627 -3.340 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -1.932 1.260 -2.493 1.00 50.00 H new ATOM 698 N LEU A 46 -0.356 -0.578 -7.676 1.00 10.00 N ATOM 699 CA LEU A 46 0.547 -1.507 -8.346 1.00 10.00 C ATOM 700 C LEU A 46 1.171 -0.874 -9.582 1.00 10.00 C ATOM 701 O LEU A 46 2.345 -1.094 -9.880 1.00 50.00 O ATOM 702 CB LEU A 46 -0.199 -2.793 -8.722 1.00 50.00 C ATOM 703 CG LEU A 46 -0.616 -3.678 -7.540 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.509 -4.811 -8.025 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.628 -4.226 -6.855 1.00 50.00 C ATOM 0 H LEU A 46 -1.311 -0.920 -7.572 1.00 10.00 H new ATOM 0 HA LEU A 46 1.352 -1.755 -7.654 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.092 -2.524 -9.286 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.434 -3.379 -9.388 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.181 -3.084 -6.821 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.799 -5.433 -7.178 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.401 -4.396 -8.493 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.967 -5.416 -8.751 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.334 -4.855 -6.015 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.205 -4.817 -7.566 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.238 -3.399 -6.492 1.00 50.00 H new ATOM 717 N LYS A 47 0.379 -0.087 -10.301 1.00 10.00 N ATOM 718 CA LYS A 47 0.822 0.505 -11.558 1.00 10.00 C ATOM 719 C LYS A 47 1.748 1.690 -11.312 1.00 10.00 C ATOM 720 O LYS A 47 2.501 2.096 -12.197 1.00 50.00 O ATOM 721 CB LYS A 47 -0.380 0.943 -12.397 1.00 50.00 C ATOM 722 CG LYS A 47 -1.208 -0.207 -12.957 1.00 50.00 C ATOM 723 CD LYS A 47 -2.389 0.306 -13.768 1.00 50.00 C ATOM 724 CE LYS A 47 -3.213 -0.841 -14.331 1.00 50.00 C ATOM 725 NZ LYS A 47 -4.365 -0.354 -15.138 1.00 50.00 N ATOM 0 H LYS A 47 -0.575 0.156 -10.034 1.00 10.00 H new ATOM 0 HA LYS A 47 1.378 -0.255 -12.107 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.024 1.574 -11.785 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.026 1.557 -13.225 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -0.580 -0.838 -13.585 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -1.569 -0.830 -12.139 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.019 0.935 -13.139 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.028 0.932 -14.584 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -2.578 -1.474 -14.950 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -3.579 -1.461 -13.512 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -4.901 -1.167 -15.504 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -4.985 0.229 -14.541 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.015 0.216 -15.934 1.00 50.00 H new ATOM 739 N VAL A 48 1.686 2.242 -10.104 1.00 10.00 N ATOM 740 CA VAL A 48 2.589 3.314 -9.705 1.00 10.00 C ATOM 741 C VAL A 48 4.042 2.862 -9.768 1.00 10.00 C ATOM 742 O VAL A 48 4.433 1.901 -9.106 1.00 50.00 O ATOM 743 CB VAL A 48 2.279 3.815 -8.282 1.00 50.00 C ATOM 744 CG1 VAL A 48 3.356 4.778 -7.810 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.913 4.485 -8.239 1.00 50.00 C ATOM 0 H VAL A 48 1.019 1.964 -9.384 1.00 10.00 H new ATOM 0 HA VAL A 48 2.435 4.132 -10.409 1.00 10.00 H new ATOM 0 HB VAL A 48 2.265 2.956 -7.611 1.00 50.00 H new ATOM 0 HG11 VAL A 48 3.121 5.122 -6.803 1.00 50.00 H new ATOM 0 HG12 VAL A 48 4.321 4.270 -7.804 1.00 50.00 H new ATOM 0 HG13 VAL A 48 3.400 5.633 -8.484 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.710 4.833 -7.226 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.902 5.333 -8.923 1.00 50.00 H new ATOM 0 HG23 VAL A 48 0.147 3.769 -8.537 1.00 50.00 H new ATOM 755 N GLU A 49 4.840 3.562 -10.566 1.00 10.00 N ATOM 756 CA GLU A 49 6.258 3.250 -10.699 1.00 10.00 C ATOM 757 C GLU A 49 6.975 3.365 -9.359 1.00 10.00 C ATOM 758 O GLU A 49 7.130 4.461 -8.820 1.00 50.00 O ATOM 759 CB GLU A 49 6.916 4.169 -11.727 1.00 50.00 C ATOM 760 CG GLU A 49 8.378 3.852 -12.012 1.00 50.00 C ATOM 761 CD GLU A 49 8.948 4.783 -13.046 1.00 50.00 C ATOM 762 OE1 GLU A 49 8.217 5.602 -13.548 1.00 50.00 O ATOM 763 OE2 GLU A 49 10.139 4.751 -13.253 1.00 50.00 O ATOM 0 H GLU A 49 4.528 4.351 -11.132 1.00 10.00 H new ATOM 0 HA GLU A 49 6.341 2.219 -11.043 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.356 4.110 -12.660 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.842 5.198 -11.376 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.956 3.931 -11.091 1.00 50.00 H new ATOM 0 HG3 GLU A 49 8.468 2.822 -12.358 1.00 50.00 H new ATOM 770 N GLY A 50 7.409 2.229 -8.826 1.00 10.00 N ATOM 771 CA GLY A 50 8.192 2.210 -7.596 1.00 10.00 C ATOM 772 C GLY A 50 7.610 1.229 -6.587 1.00 10.00 C ATOM 773 O GLY A 50 8.300 0.782 -5.671 1.00 50.00 O ATOM 0 H GLY A 50 7.232 1.308 -9.227 1.00 10.00 H new ATOM 0 HA2 GLY A 50 9.222 1.935 -7.822 1.00 10.00 H new ATOM 0 HA3 GLY A 50 8.217 3.210 -7.162 1.00 10.00 H new ATOM 777 N VAL A 51 6.335 0.896 -6.761 1.00 10.00 N ATOM 778 CA VAL A 51 5.658 -0.036 -5.867 1.00 10.00 C ATOM 779 C VAL A 51 6.040 -1.475 -6.183 1.00 10.00 C ATOM 780 O VAL A 51 5.973 -1.909 -7.333 1.00 50.00 O ATOM 781 CB VAL A 51 4.127 0.109 -5.954 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.443 -0.957 -5.114 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.698 1.497 -5.502 1.00 50.00 C ATOM 0 H VAL A 51 5.750 1.258 -7.514 1.00 10.00 H new ATOM 0 HA VAL A 51 5.980 0.209 -4.855 1.00 10.00 H new ATOM 0 HB VAL A 51 3.827 -0.025 -6.993 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.362 -0.840 -5.187 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.726 -1.945 -5.478 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.750 -0.852 -4.073 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.613 1.583 -5.570 1.00 50.00 H new ATOM 0 HG22 VAL A 51 4.011 1.657 -4.470 1.00 50.00 H new ATOM 0 HG23 VAL A 51 4.162 2.248 -6.142 1.00 50.00 H new ATOM 793 N LYS A 52 6.440 -2.215 -5.154 1.00 10.00 N ATOM 794 CA LYS A 52 6.881 -3.594 -5.327 1.00 10.00 C ATOM 795 C LYS A 52 5.741 -4.573 -5.075 1.00 10.00 C ATOM 796 O LYS A 52 5.412 -5.391 -5.934 1.00 50.00 O ATOM 797 CB LYS A 52 8.053 -3.902 -4.395 1.00 50.00 C ATOM 798 CG LYS A 52 8.606 -5.315 -4.525 1.00 50.00 C ATOM 799 CD LYS A 52 9.798 -5.530 -3.604 1.00 50.00 C ATOM 800 CE LYS A 52 10.382 -6.926 -3.771 1.00 50.00 C ATOM 801 NZ LYS A 52 11.600 -7.123 -2.938 1.00 50.00 N ATOM 0 H LYS A 52 6.468 -1.882 -4.190 1.00 10.00 H new ATOM 0 HA LYS A 52 7.209 -3.712 -6.360 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.855 -3.191 -4.593 1.00 50.00 H new ATOM 0 HB3 LYS A 52 7.734 -3.743 -3.365 1.00 50.00 H new ATOM 0 HG2 LYS A 52 7.825 -6.037 -4.286 1.00 50.00 H new ATOM 0 HG3 LYS A 52 8.904 -5.497 -5.557 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.564 -4.785 -3.818 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.491 -5.383 -2.568 1.00 50.00 H new ATOM 0 HE2 LYS A 52 9.632 -7.668 -3.498 1.00 50.00 H new ATOM 0 HE3 LYS A 52 10.629 -7.093 -4.820 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 11.966 -8.086 -3.081 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.326 -6.432 -3.215 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.360 -6.989 -1.935 1.00 50.00 H new ATOM 815 N SER A 53 5.140 -4.482 -3.894 1.00 10.00 N ATOM 816 CA SER A 53 4.096 -5.416 -3.492 1.00 10.00 C ATOM 817 C SER A 53 3.105 -4.760 -2.538 1.00 10.00 C ATOM 818 O SER A 53 3.442 -3.801 -1.843 1.00 50.00 O ATOM 819 CB SER A 53 4.711 -6.643 -2.850 1.00 50.00 C ATOM 820 OG SER A 53 5.343 -6.341 -1.635 1.00 50.00 O ATOM 0 H SER A 53 5.359 -3.770 -3.198 1.00 10.00 H new ATOM 0 HA SER A 53 3.551 -5.718 -4.386 1.00 10.00 H new ATOM 0 HB2 SER A 53 3.935 -7.390 -2.679 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.435 -7.086 -3.534 1.00 50.00 H new ATOM 0 HG SER A 53 5.725 -7.159 -1.253 1.00 50.00 H new ATOM 826 N ILE A 54 1.884 -5.281 -2.510 1.00 10.00 N ATOM 827 CA ILE A 54 0.877 -4.823 -1.561 1.00 10.00 C ATOM 828 C ILE A 54 0.420 -5.957 -0.653 1.00 10.00 C ATOM 829 O ILE A 54 -0.132 -6.955 -1.120 1.00 50.00 O ATOM 830 CB ILE A 54 -0.346 -4.226 -2.279 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.080 -3.072 -3.190 1.00 50.00 C ATOM 832 CG2 ILE A 54 -1.381 -3.755 -1.267 1.00 50.00 C ATOM 833 CD1 ILE A 54 -1.021 -2.574 -4.100 1.00 50.00 C ATOM 0 H ILE A 54 1.567 -6.022 -3.135 1.00 10.00 H new ATOM 0 HA ILE A 54 1.345 -4.046 -0.957 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.798 -5.003 -2.896 1.00 50.00 H new ATOM 0 HG12 ILE A 54 0.431 -2.245 -2.573 1.00 50.00 H new ATOM 0 HG13 ILE A 54 0.924 -3.395 -3.799 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -2.239 -3.336 -1.792 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.705 -4.599 -0.658 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.941 -2.992 -0.624 1.00 50.00 H new ATOM 0 HD11 ILE A 54 -0.643 -1.757 -4.715 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -1.357 -3.387 -4.744 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.858 -2.219 -3.498 1.00 50.00 H new ATOM 845 N PHE A 55 0.651 -5.800 0.644 1.00 10.00 N ATOM 846 CA PHE A 55 0.300 -6.830 1.616 1.00 10.00 C ATOM 847 C PHE A 55 -0.779 -6.342 2.572 1.00 10.00 C ATOM 848 O PHE A 55 -0.678 -5.249 3.131 1.00 50.00 O ATOM 849 CB PHE A 55 1.540 -7.268 2.399 1.00 50.00 C ATOM 850 CG PHE A 55 1.257 -8.309 3.445 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.932 -9.608 3.082 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.316 -7.992 4.793 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.673 -10.567 4.043 1.00 50.00 C ATOM 854 CE2 PHE A 55 1.058 -8.949 5.756 1.00 50.00 C ATOM 855 CZ PHE A 55 0.736 -10.237 5.380 1.00 50.00 C ATOM 0 H PHE A 55 1.081 -4.968 1.049 1.00 10.00 H new ATOM 0 HA PHE A 55 -0.095 -7.686 1.069 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.280 -7.659 1.701 1.00 50.00 H new ATOM 0 HB3 PHE A 55 1.983 -6.395 2.878 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.881 -9.873 2.036 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.566 -6.986 5.094 1.00 50.00 H new ATOM 0 HE1 PHE A 55 0.421 -11.575 3.747 1.00 50.00 H new ATOM 0 HE2 PHE A 55 1.108 -8.689 6.803 1.00 50.00 H new ATOM 0 HZ PHE A 55 0.534 -10.985 6.132 1.00 50.00 H new ATOM 865 N HIS A 56 -1.812 -7.157 2.756 1.00 10.00 N ATOM 866 CA HIS A 56 -2.839 -6.878 3.754 1.00 10.00 C ATOM 867 C HIS A 56 -2.755 -7.856 4.919 1.00 10.00 C ATOM 868 O HIS A 56 -2.518 -9.049 4.725 1.00 50.00 O ATOM 869 CB HIS A 56 -4.235 -6.933 3.124 1.00 50.00 C ATOM 870 CG HIS A 56 -5.343 -6.667 4.092 1.00 50.00 C ATOM 871 ND1 HIS A 56 -5.919 -7.661 4.856 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.983 -5.520 4.423 1.00 50.00 C ATOM 873 CE1 HIS A 56 -6.865 -7.136 5.616 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.924 -5.840 5.371 1.00 50.00 N ATOM 0 H HIS A 56 -1.961 -8.016 2.227 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.663 -5.872 4.136 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -4.288 -6.204 2.316 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.383 -7.916 2.677 1.00 50.00 H new ATOM 0 HD1 HIS A 56 -5.656 -8.646 4.837 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.790 -4.538 4.017 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -7.484 -7.675 6.318 1.00 50.00 H new ATOM 882 N VAL A 57 -2.951 -7.344 6.128 1.00 10.00 N ATOM 883 CA VAL A 57 -3.103 -8.194 7.304 1.00 10.00 C ATOM 884 C VAL A 57 -3.926 -7.500 8.382 1.00 10.00 C ATOM 885 O VAL A 57 -3.778 -6.300 8.613 1.00 50.00 O ATOM 886 CB VAL A 57 -1.736 -8.594 7.893 1.00 50.00 C ATOM 887 CG1 VAL A 57 -0.976 -7.361 8.358 1.00 50.00 C ATOM 888 CG2 VAL A 57 -1.917 -9.572 9.043 1.00 50.00 C ATOM 0 H VAL A 57 -3.009 -6.344 6.321 1.00 10.00 H new ATOM 0 HA VAL A 57 -3.624 -9.094 6.976 1.00 10.00 H new ATOM 0 HB VAL A 57 -1.154 -9.084 7.112 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.013 -7.661 8.771 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -0.815 -6.692 7.512 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -1.554 -6.845 9.124 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -0.942 -9.844 9.447 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -2.517 -9.107 9.825 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -2.423 -10.468 8.683 1.00 50.00 H new ATOM 898 N MET A 58 -4.792 -8.263 9.041 1.00 10.00 N ATOM 899 CA MET A 58 -5.688 -7.710 10.049 1.00 10.00 C ATOM 900 C MET A 58 -6.629 -6.676 9.441 1.00 10.00 C ATOM 901 O MET A 58 -7.583 -7.025 8.745 1.00 50.00 O ATOM 902 CB MET A 58 -4.883 -7.085 11.186 1.00 50.00 C ATOM 903 CG MET A 58 -5.718 -6.632 12.374 1.00 50.00 C ATOM 904 SD MET A 58 -4.729 -5.836 13.658 1.00 75.00 S ATOM 905 CE MET A 58 -3.814 -7.236 14.295 1.00 75.00 C ATOM 0 H MET A 58 -4.892 -9.267 8.894 1.00 10.00 H new ATOM 0 HA MET A 58 -6.292 -8.525 10.447 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.144 -7.808 11.532 1.00 50.00 H new ATOM 0 HB3 MET A 58 -4.333 -6.228 10.797 1.00 50.00 H new ATOM 0 HG2 MET A 58 -6.485 -5.939 12.030 1.00 50.00 H new ATOM 0 HG3 MET A 58 -6.234 -7.493 12.800 1.00 50.00 H new ATOM 0 HE1 MET A 58 -3.336 -6.961 15.235 1.00 75.00 H new ATOM 0 HE2 MET A 58 -4.496 -8.069 14.465 1.00 75.00 H new ATOM 0 HE3 MET A 58 -3.052 -7.532 13.573 1.00 75.00 H new ATOM 915 N ASP A 59 -6.356 -5.404 9.709 1.00 10.00 N ATOM 916 CA ASP A 59 -7.183 -4.318 9.196 1.00 10.00 C ATOM 917 C ASP A 59 -6.330 -3.128 8.776 1.00 10.00 C ATOM 918 O ASP A 59 -6.763 -1.980 8.865 1.00 50.00 O ATOM 919 CB ASP A 59 -8.209 -3.885 10.245 1.00 50.00 C ATOM 920 CG ASP A 59 -7.604 -3.333 11.528 1.00 50.00 C ATOM 921 OD1 ASP A 59 -6.400 -3.271 11.615 1.00 75.00 O ATOM 922 OD2 ASP A 59 -8.343 -2.836 12.344 1.00 50.00 O ATOM 0 H ASP A 59 -5.567 -5.099 10.279 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.710 -4.687 8.316 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.858 -3.126 9.808 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -8.839 -4.739 10.493 1.00 50.00 H new ATOM 927 N PHE A 60 -5.116 -3.410 8.316 1.00 10.00 N ATOM 928 CA PHE A 60 -4.207 -2.365 7.859 1.00 10.00 C ATOM 929 C PHE A 60 -3.365 -2.842 6.683 1.00 10.00 C ATOM 930 O PHE A 60 -3.291 -4.039 6.406 1.00 50.00 O ATOM 931 CB PHE A 60 -3.302 -1.907 9.004 1.00 50.00 C ATOM 932 CG PHE A 60 -2.377 -2.977 9.510 1.00 50.00 C ATOM 933 CD1 PHE A 60 -1.123 -3.154 8.944 1.00 50.00 C ATOM 934 CD2 PHE A 60 -2.759 -3.808 10.552 1.00 50.00 C ATOM 935 CE1 PHE A 60 -0.272 -4.139 9.410 1.00 50.00 C ATOM 936 CE2 PHE A 60 -1.910 -4.791 11.020 1.00 50.00 C ATOM 937 CZ PHE A 60 -0.664 -4.958 10.448 1.00 50.00 C ATOM 0 H PHE A 60 -4.738 -4.355 8.250 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.810 -1.521 7.524 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.709 -1.056 8.668 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.923 -1.557 9.828 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -0.808 -2.516 8.131 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -3.733 -3.685 11.003 1.00 50.00 H new ATOM 0 HE1 PHE A 60 0.702 -4.267 8.960 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -2.220 -5.430 11.834 1.00 50.00 H new ATOM 0 HZ PHE A 60 0.001 -5.727 10.812 1.00 50.00 H new ATOM 947 N ILE A 61 -2.732 -1.898 5.994 1.00 10.00 N ATOM 948 CA ILE A 61 -1.995 -2.206 4.774 1.00 10.00 C ATOM 949 C ILE A 61 -0.494 -2.060 4.987 1.00 10.00 C ATOM 950 O ILE A 61 -0.030 -1.072 5.555 1.00 50.00 O ATOM 951 CB ILE A 61 -2.429 -1.299 3.609 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.934 -1.430 3.362 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.649 -1.642 2.348 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.350 -2.780 2.822 1.00 50.00 C ATOM 0 H ILE A 61 -2.715 -0.913 6.260 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.224 -3.241 4.521 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.212 -0.265 3.877 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.463 -1.244 4.297 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.246 -0.657 2.660 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -1.969 -0.991 1.534 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.584 -1.500 2.529 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.835 -2.681 2.076 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.430 -2.795 2.673 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -3.850 -2.961 1.871 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.071 -3.558 3.533 1.00 50.00 H new ATOM 966 N SER A 62 0.263 -3.052 4.527 1.00 10.00 N ATOM 967 CA SER A 62 1.708 -2.918 4.402 1.00 10.00 C ATOM 968 C SER A 62 2.122 -2.740 2.946 1.00 10.00 C ATOM 969 O SER A 62 2.028 -3.671 2.146 1.00 50.00 O ATOM 970 CB SER A 62 2.399 -4.126 5.003 1.00 50.00 C ATOM 971 OG SER A 62 3.790 -4.065 4.854 1.00 50.00 O ATOM 0 H SER A 62 -0.103 -3.958 4.235 1.00 10.00 H new ATOM 0 HA SER A 62 2.014 -2.026 4.949 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.151 -4.195 6.062 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.023 -5.032 4.528 1.00 50.00 H new ATOM 0 HG SER A 62 4.197 -4.861 5.256 1.00 50.00 H new ATOM 977 N VAL A 63 2.577 -1.539 2.609 1.00 10.00 N ATOM 978 CA VAL A 63 2.977 -1.228 1.241 1.00 10.00 C ATOM 979 C VAL A 63 4.494 -1.237 1.095 1.00 10.00 C ATOM 980 O VAL A 63 5.195 -0.474 1.760 1.00 50.00 O ATOM 981 CB VAL A 63 2.436 0.141 0.791 1.00 50.00 C ATOM 982 CG1 VAL A 63 2.875 0.446 -0.632 1.00 50.00 C ATOM 983 CG2 VAL A 63 0.920 0.176 0.897 1.00 50.00 C ATOM 0 H VAL A 63 2.678 -0.764 3.264 1.00 10.00 H new ATOM 0 HA VAL A 63 2.549 -2.003 0.605 1.00 10.00 H new ATOM 0 HB VAL A 63 2.846 0.906 1.450 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.483 1.418 -0.933 1.00 50.00 H new ATOM 0 HG12 VAL A 63 3.964 0.462 -0.681 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.493 -0.323 -1.303 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.555 1.151 0.575 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.493 -0.599 0.261 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.623 0.001 1.931 1.00 50.00 H new ATOM 993 N ASP A 64 4.994 -2.103 0.222 1.00 10.00 N ATOM 994 CA ASP A 64 6.431 -2.283 0.059 1.00 10.00 C ATOM 995 C ASP A 64 6.897 -1.786 -1.304 1.00 10.00 C ATOM 996 O ASP A 64 6.361 -2.186 -2.337 1.00 50.00 O ATOM 997 CB ASP A 64 6.813 -3.754 0.241 1.00 50.00 C ATOM 998 CG ASP A 64 8.310 -4.007 0.345 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.035 -3.531 -0.496 1.00 50.00 O ATOM 1000 OD2 ASP A 64 8.734 -4.536 1.346 1.00 50.00 O ATOM 0 H ASP A 64 4.424 -2.693 -0.385 1.00 10.00 H new ATOM 0 HA ASP A 64 6.929 -1.691 0.827 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.329 -4.134 1.141 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.418 -4.326 -0.599 1.00 50.00 H new ATOM 1005 N LYS A 65 7.898 -0.912 -1.299 1.00 10.00 N ATOM 1006 CA LYS A 65 8.411 -0.328 -2.532 1.00 10.00 C ATOM 1007 C LYS A 65 9.729 -0.974 -2.940 1.00 10.00 C ATOM 1008 O LYS A 65 10.231 -1.867 -2.259 1.00 50.00 O ATOM 1009 CB LYS A 65 8.591 1.181 -2.377 1.00 50.00 C ATOM 1010 CG LYS A 65 9.679 1.586 -1.389 1.00 50.00 C ATOM 1011 CD LYS A 65 9.946 3.082 -1.443 1.00 50.00 C ATOM 1012 CE LYS A 65 11.007 3.493 -0.432 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.367 3.050 -0.842 1.00 50.00 N ATOM 0 H LYS A 65 8.370 -0.592 -0.453 1.00 10.00 H new ATOM 0 HA LYS A 65 7.681 -0.517 -3.319 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.825 1.609 -3.352 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.645 1.617 -2.056 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.380 1.304 -0.380 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.597 1.042 -1.613 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.270 3.359 -2.446 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.022 3.626 -1.245 1.00 50.00 H new ATOM 0 HE2 LYS A 65 10.998 4.577 -0.317 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.765 3.067 0.542 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.053 3.305 -0.103 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.370 2.019 -0.977 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.630 3.516 -1.734 1.00 50.00 H new ATOM 1027 N GLU A 66 10.286 -0.516 -4.056 1.00 10.00 N ATOM 1028 CA GLU A 66 11.632 -0.907 -4.458 1.00 10.00 C ATOM 1029 C GLU A 66 12.684 -0.039 -3.782 1.00 10.00 C ATOM 1030 O GLU A 66 12.384 1.054 -3.301 1.00 50.00 O ATOM 1031 CB GLU A 66 11.782 -0.827 -5.978 1.00 50.00 C ATOM 1032 CG GLU A 66 10.954 -1.847 -6.746 1.00 50.00 C ATOM 1033 CD GLU A 66 11.514 -3.234 -6.594 1.00 50.00 C ATOM 1034 OE1 GLU A 66 12.608 -3.360 -6.099 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.805 -4.172 -6.867 1.00 50.00 O ATOM 0 H GLU A 66 9.825 0.128 -4.699 1.00 10.00 H new ATOM 0 HA GLU A 66 11.787 -1.938 -4.141 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.500 0.173 -6.307 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.833 -0.962 -6.235 1.00 50.00 H new ATOM 0 HG2 GLU A 66 9.925 -1.827 -6.387 1.00 50.00 H new ATOM 0 HG3 GLU A 66 10.929 -1.577 -7.802 1.00 50.00 H new ATOM 1042 N ASN A 67 13.918 -0.529 -3.747 1.00 10.00 N ATOM 1043 CA ASN A 67 15.010 0.184 -3.096 1.00 10.00 C ATOM 1044 C ASN A 67 15.254 1.537 -3.754 1.00 10.00 C ATOM 1045 O ASN A 67 15.515 2.530 -3.076 1.00 50.00 O ATOM 1046 CB ASN A 67 16.286 -0.636 -3.092 1.00 50.00 C ATOM 1047 CG ASN A 67 16.258 -1.793 -2.132 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.464 -1.823 -1.185 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.175 -2.707 -2.324 1.00 50.00 N ATOM 0 H ASN A 67 14.187 -1.420 -4.163 1.00 10.00 H new ATOM 0 HA ASN A 67 14.712 0.352 -2.061 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.467 -1.014 -4.098 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.124 0.014 -2.840 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.258 -3.490 -1.676 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.806 -2.636 -3.122 1.00 50.00 H new ATOM 1056 N ASP A 68 15.168 1.566 -5.080 1.00 10.00 N ATOM 1057 CA ASP A 68 15.385 2.795 -5.833 1.00 10.00 C ATOM 1058 C ASP A 68 14.248 3.785 -5.611 1.00 10.00 C ATOM 1059 O ASP A 68 14.477 4.988 -5.479 1.00 50.00 O ATOM 1060 CB ASP A 68 15.532 2.491 -7.326 1.00 50.00 C ATOM 1061 CG ASP A 68 16.848 1.828 -7.706 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.742 1.816 -6.894 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.899 1.204 -8.740 1.00 50.00 O ATOM 0 H ASP A 68 14.950 0.752 -5.655 1.00 10.00 H new ATOM 0 HA ASP A 68 16.308 3.248 -5.471 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.711 1.844 -7.635 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.433 3.421 -7.885 1.00 50.00 H new ATOM 1068 N ALA A 69 13.024 3.273 -5.569 1.00 10.00 N ATOM 1069 CA ALA A 69 11.844 4.119 -5.430 1.00 10.00 C ATOM 1070 C ALA A 69 11.915 4.957 -4.160 1.00 10.00 C ATOM 1071 O ALA A 69 12.603 4.599 -3.205 1.00 50.00 O ATOM 1072 CB ALA A 69 10.581 3.270 -5.439 1.00 50.00 C ATOM 0 H ALA A 69 12.822 2.275 -5.629 1.00 10.00 H new ATOM 0 HA ALA A 69 11.814 4.801 -6.280 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.708 3.915 -5.334 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.517 2.723 -6.379 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.612 2.564 -4.609 1.00 50.00 H new ATOM 1078 N ASN A 70 11.199 6.077 -4.155 1.00 10.00 N ATOM 1079 CA ASN A 70 11.099 6.918 -2.970 1.00 10.00 C ATOM 1080 C ASN A 70 9.653 7.060 -2.514 1.00 10.00 C ATOM 1081 O ASN A 70 8.731 7.055 -3.331 1.00 50.00 O ATOM 1082 CB ASN A 70 11.711 8.288 -3.207 1.00 50.00 C ATOM 1083 CG ASN A 70 13.187 8.249 -3.493 1.00 50.00 C ATOM 1084 OD1 ASN A 70 13.998 7.909 -2.625 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.543 8.675 -4.677 1.00 50.00 N ATOM 0 H ASN A 70 10.679 6.423 -4.961 1.00 10.00 H new ATOM 0 HA ASN A 70 11.663 6.425 -2.179 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.200 8.765 -4.044 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.536 8.911 -2.330 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.532 8.739 -4.920 1.00 50.00 H new ATOM 0 HD22 ASN A 70 12.832 8.943 -5.357 1.00 50.00 H new ATOM 1092 N TRP A 71 9.459 7.185 -1.207 1.00 10.00 N ATOM 1093 CA TRP A 71 8.124 7.354 -0.643 1.00 10.00 C ATOM 1094 C TRP A 71 7.555 8.726 -0.974 1.00 10.00 C ATOM 1095 O TRP A 71 6.340 8.928 -0.950 1.00 50.00 O ATOM 1096 CB TRP A 71 8.157 7.151 0.873 1.00 50.00 C ATOM 1097 CG TRP A 71 8.298 5.715 1.281 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.247 5.193 2.108 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.463 4.621 0.883 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.057 3.841 2.250 1.00 50.00 N ATOM 1101 CE2 TRP A 71 7.966 3.465 1.507 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.338 4.508 0.060 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.390 2.217 1.335 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.759 3.256 -0.112 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.269 2.143 0.508 1.00 50.00 C ATOM 0 H TRP A 71 10.210 7.173 -0.516 1.00 10.00 H new ATOM 0 HA TRP A 71 7.475 6.601 -1.089 1.00 10.00 H new ATOM 0 HB2 TRP A 71 8.986 7.722 1.290 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.242 7.555 1.306 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.034 5.760 2.583 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.633 3.217 2.816 1.00 50.00 H new ATOM 0 HE3 TRP A 71 5.927 5.377 -0.433 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.791 1.339 1.820 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.890 3.157 -0.746 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.791 1.187 0.352 1.00 50.00 H new ATOM 1116 N GLU A 72 8.439 9.670 -1.282 1.00 10.00 N ATOM 1117 CA GLU A 72 8.024 11.018 -1.647 1.00 10.00 C ATOM 1118 C GLU A 72 7.057 10.998 -2.824 1.00 10.00 C ATOM 1119 O GLU A 72 6.114 11.787 -2.879 1.00 50.00 O ATOM 1120 CB GLU A 72 9.242 11.881 -1.985 1.00 50.00 C ATOM 1121 CG GLU A 72 10.108 12.243 -0.785 1.00 50.00 C ATOM 1122 CD GLU A 72 11.333 13.004 -1.207 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.523 13.182 -2.386 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.020 13.508 -0.348 1.00 75.00 O ATOM 0 H GLU A 72 9.449 9.525 -1.286 1.00 10.00 H new ATOM 0 HA GLU A 72 7.509 11.450 -0.789 1.00 10.00 H new ATOM 0 HB2 GLU A 72 9.856 11.352 -2.715 1.00 50.00 H new ATOM 0 HB3 GLU A 72 8.900 12.800 -2.462 1.00 50.00 H new ATOM 0 HG2 GLU A 72 9.528 12.842 -0.083 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.404 11.335 -0.260 1.00 50.00 H new ATOM 1131 N THR A 73 7.295 10.089 -3.764 1.00 10.00 N ATOM 1132 CA THR A 73 6.392 9.898 -4.893 1.00 10.00 C ATOM 1133 C THR A 73 5.288 8.906 -4.554 1.00 10.00 C ATOM 1134 O THR A 73 4.106 9.184 -4.756 1.00 50.00 O ATOM 1135 CB THR A 73 7.145 9.406 -6.142 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.116 10.385 -6.535 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.176 9.167 -7.290 1.00 50.00 C ATOM 0 H THR A 73 8.107 9.472 -3.766 1.00 10.00 H new ATOM 0 HA THR A 73 5.948 10.870 -5.108 1.00 10.00 H new ATOM 0 HB THR A 73 7.644 8.467 -5.901 1.00 50.00 H new ATOM 0 HG1 THR A 73 8.596 10.070 -7.329 1.00 50.00 H new ATOM 0 HG21 THR A 73 6.726 8.820 -8.164 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.445 8.413 -6.998 1.00 50.00 H new ATOM 0 HG23 THR A 73 5.661 10.097 -7.531 1.00 50.00 H new ATOM 1145 N VAL A 74 5.679 7.746 -4.036 1.00 10.00 N ATOM 1146 CA VAL A 74 4.785 6.597 -3.965 1.00 10.00 C ATOM 1147 C VAL A 74 3.686 6.818 -2.934 1.00 10.00 C ATOM 1148 O VAL A 74 2.503 6.638 -3.224 1.00 50.00 O ATOM 1149 CB VAL A 74 5.549 5.306 -3.620 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.577 4.166 -3.356 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.510 4.938 -4.741 1.00 50.00 C ATOM 0 H VAL A 74 6.611 7.577 -3.659 1.00 10.00 H new ATOM 0 HA VAL A 74 4.336 6.487 -4.952 1.00 10.00 H new ATOM 0 HB VAL A 74 6.129 5.482 -2.714 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.135 3.261 -3.114 1.00 50.00 H new ATOM 0 HG12 VAL A 74 3.928 4.427 -2.520 1.00 50.00 H new ATOM 0 HG13 VAL A 74 3.971 3.991 -4.245 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.041 4.023 -4.479 1.00 50.00 H new ATOM 0 HG22 VAL A 74 5.950 4.782 -5.663 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.228 5.746 -4.885 1.00 50.00 H new ATOM 1161 N LEU A 75 4.083 7.208 -1.728 1.00 10.00 N ATOM 1162 CA LEU A 75 3.216 7.095 -0.561 1.00 10.00 C ATOM 1163 C LEU A 75 1.987 7.983 -0.701 1.00 50.00 C ATOM 1164 O LEU A 75 0.867 7.555 -0.425 1.00 50.00 O ATOM 1165 CB LEU A 75 3.991 7.454 0.712 1.00 50.00 C ATOM 1166 CG LEU A 75 3.212 7.280 2.021 1.00 50.00 C ATOM 1167 CD1 LEU A 75 2.792 5.826 2.189 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.074 7.731 3.190 1.00 50.00 C ATOM 0 H LEU A 75 5.002 7.606 -1.533 1.00 10.00 H new ATOM 0 HA LEU A 75 2.878 6.061 -0.490 1.00 10.00 H new ATOM 0 HB2 LEU A 75 4.889 6.838 0.758 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.319 8.491 0.638 1.00 50.00 H new ATOM 0 HG LEU A 75 2.312 7.894 1.993 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.239 5.712 3.122 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.158 5.532 1.353 1.00 50.00 H new ATOM 0 HD13 LEU A 75 3.678 5.192 2.213 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.519 7.607 4.120 1.00 50.00 H new ATOM 0 HD22 LEU A 75 4.982 7.129 3.226 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.339 8.781 3.063 1.00 50.00 H new ATOM 1180 N PRO A 76 2.204 9.221 -1.131 1.00 50.00 N ATOM 1181 CA PRO A 76 1.107 10.152 -1.370 1.00 50.00 C ATOM 1182 C PRO A 76 0.026 9.521 -2.237 1.00 50.00 C ATOM 1183 O PRO A 76 -1.167 9.700 -1.990 1.00 50.00 O ATOM 1184 CB PRO A 76 1.773 11.348 -2.056 1.00 50.00 C ATOM 1185 CG PRO A 76 3.167 11.347 -1.534 1.00 50.00 C ATOM 1186 CD PRO A 76 3.548 9.895 -1.413 1.00 50.00 C ATOM 0 HA PRO A 76 0.595 10.444 -0.453 1.00 50.00 H new ATOM 0 HB2 PRO A 76 1.755 11.244 -3.141 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.260 12.279 -1.817 1.00 50.00 H new ATOM 0 HG2 PRO A 76 3.840 11.875 -2.210 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.225 11.850 -0.569 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.007 9.518 -2.327 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.262 9.729 -0.606 1.00 50.00 H new ATOM 1194 N LYS A 77 0.450 8.779 -3.255 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.478 8.177 -4.203 1.00 50.00 C ATOM 1196 C LYS A 77 -1.308 7.082 -3.542 1.00 50.00 C ATOM 1197 O LYS A 77 -2.516 6.989 -3.758 1.00 50.00 O ATOM 1198 CB LYS A 77 0.277 7.609 -5.407 1.00 50.00 C ATOM 1199 CG LYS A 77 0.899 8.663 -6.313 1.00 50.00 C ATOM 1200 CD LYS A 77 1.629 8.025 -7.484 1.00 50.00 C ATOM 1201 CE LYS A 77 2.291 9.074 -8.364 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.013 8.463 -9.513 1.00 50.00 N ATOM 0 H LYS A 77 1.432 8.580 -3.444 1.00 50.00 H new ATOM 0 HA LYS A 77 -1.155 8.959 -4.547 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.064 6.946 -5.047 1.00 50.00 H new ATOM 0 HB3 LYS A 77 -0.408 7.000 -5.996 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.121 9.329 -6.686 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.594 9.275 -5.738 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.383 7.333 -7.111 1.00 50.00 H new ATOM 0 HD3 LYS A 77 0.926 7.441 -8.078 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.534 9.764 -8.737 1.00 50.00 H new ATOM 0 HE3 LYS A 77 2.990 9.660 -7.767 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.449 9.212 -10.087 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 3.753 7.824 -9.158 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.342 7.925 -10.098 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.650 6.255 -2.736 1.00 50.00 N ATOM 1217 CA VAL A 78 -1.344 5.248 -1.942 1.00 50.00 C ATOM 1218 C VAL A 78 -2.361 5.888 -1.006 1.00 50.00 C ATOM 1219 O VAL A 78 -3.511 5.458 -0.936 1.00 50.00 O ATOM 1220 CB VAL A 78 -0.358 4.404 -1.113 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -1.111 3.488 -0.159 1.00 50.00 C ATOM 1222 CG2 VAL A 78 0.549 3.592 -2.026 1.00 50.00 C ATOM 0 H VAL A 78 0.363 6.263 -2.616 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.863 4.597 -2.646 1.00 50.00 H new ATOM 0 HB VAL A 78 0.262 5.080 -0.524 1.00 50.00 H new ATOM 0 HG11 VAL A 78 -0.398 2.899 0.419 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.719 4.088 0.518 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.756 2.820 -0.729 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.239 3.002 -1.422 1.00 50.00 H new ATOM 0 HG22 VAL A 78 -0.056 2.926 -2.641 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.115 4.266 -2.669 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.930 6.920 -0.288 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.826 7.684 0.569 1.00 50.00 C ATOM 1234 C GLU A 79 -4.028 8.203 -0.208 1.00 50.00 C ATOM 1235 O GLU A 79 -5.154 8.191 0.288 1.00 50.00 O ATOM 1236 CB GLU A 79 -2.080 8.850 1.222 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.936 9.710 2.141 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.129 10.817 2.761 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.952 10.887 2.501 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.709 11.659 3.404 1.00 50.00 O ATOM 0 H GLU A 79 -0.964 7.246 -0.284 1.00 50.00 H new ATOM 0 HA GLU A 79 -3.189 7.014 1.348 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.241 8.454 1.793 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.662 9.482 0.438 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.766 10.134 1.576 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.368 9.089 2.925 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.780 8.657 -1.433 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.824 9.262 -2.251 1.00 50.00 C ATOM 1249 C ALA A 80 -5.994 8.305 -2.447 1.00 50.00 C ATOM 1250 O ALA A 80 -7.152 8.683 -2.274 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.260 9.696 -3.595 1.00 50.00 C ATOM 0 H ALA A 80 -2.864 8.617 -1.881 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.195 10.142 -1.727 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -5.052 10.146 -4.194 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.465 10.425 -3.438 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.858 8.828 -4.118 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.682 7.066 -2.810 1.00 50.00 N ATOM 1258 CA VAL A 81 -6.707 6.096 -3.178 1.00 50.00 C ATOM 1259 C VAL A 81 -7.473 5.610 -1.954 1.00 50.00 C ATOM 1260 O VAL A 81 -8.672 5.342 -2.026 1.00 50.00 O ATOM 1261 CB VAL A 81 -6.100 4.881 -3.906 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.843 5.210 -5.369 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.810 4.444 -3.227 1.00 50.00 C ATOM 0 H VAL A 81 -4.728 6.709 -2.857 1.00 50.00 H new ATOM 0 HA VAL A 81 -7.394 6.607 -3.852 1.00 50.00 H new ATOM 0 HB VAL A 81 -6.814 4.059 -3.857 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.414 4.341 -5.868 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.782 5.479 -5.852 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -5.148 6.047 -5.437 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -4.395 3.585 -3.754 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.092 5.264 -3.247 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -5.018 4.170 -2.193 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.773 5.503 -0.830 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.405 5.142 0.433 1.00 50.00 C ATOM 1275 C PHE A 82 -8.334 6.247 0.919 1.00 50.00 C ATOM 1276 O PHE A 82 -9.290 5.989 1.651 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.345 4.842 1.495 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.501 3.638 1.184 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -5.721 2.896 0.033 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.486 3.245 2.043 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -4.946 1.788 -0.252 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.708 2.138 1.759 1.00 50.00 C ATOM 1283 CZ PHE A 82 -3.939 1.409 0.609 1.00 50.00 C ATOM 0 H PHE A 82 -5.767 5.661 -0.768 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.001 4.245 0.264 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -5.696 5.711 1.603 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -6.838 4.691 2.455 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -6.507 3.187 -0.648 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.301 3.810 2.944 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -5.130 1.218 -1.151 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.920 1.843 2.436 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.332 0.544 0.385 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.049 7.477 0.507 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.873 8.620 0.882 1.00 50.00 C ATOM 1295 C GLU A 83 -9.867 8.967 -0.218 1.00 50.00 C ATOM 1296 O GLU A 83 -10.306 10.111 -0.334 1.00 50.00 O ATOM 1297 CB GLU A 83 -7.994 9.832 1.197 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.085 9.654 2.404 1.00 50.00 C ATOM 1299 CD GLU A 83 -7.880 9.390 3.652 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -8.783 10.142 3.929 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -7.658 8.377 4.271 1.00 75.00 O ATOM 0 H GLU A 83 -7.253 7.708 -0.087 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.435 8.347 1.775 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.380 10.056 0.325 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.636 10.697 1.365 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -6.398 8.827 2.226 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.478 10.549 2.540 1.00 50.00 H new ATOM 1308 N LEU A 84 -10.220 7.971 -1.024 1.00 50.00 N ATOM 1309 CA LEU A 84 -11.341 8.095 -1.948 1.00 75.00 C ATOM 1310 C LEU A 84 -12.654 7.715 -1.275 1.00 75.00 C ATOM 1311 O LEU A 84 -13.733 8.007 -1.789 1.00 75.00 O ATOM 1312 CB LEU A 84 -11.105 7.221 -3.188 1.00 75.00 C ATOM 1313 CG LEU A 84 -9.923 7.645 -4.068 1.00 75.00 C ATOM 1314 CD1 LEU A 84 -9.739 6.652 -5.208 1.00 75.00 C ATOM 1315 CD2 LEU A 84 -10.168 9.046 -4.609 1.00 75.00 C ATOM 0 H LEU A 84 -9.746 7.069 -1.056 1.00 50.00 H new ATOM 0 HA LEU A 84 -11.411 9.138 -2.257 1.00 75.00 H new ATOM 0 HB2 LEU A 84 -10.946 6.193 -2.863 1.00 75.00 H new ATOM 0 HB3 LEU A 84 -12.010 7.227 -3.795 1.00 75.00 H new ATOM 0 HG LEU A 84 -9.011 7.654 -3.472 1.00 75.00 H new ATOM 0 HD11 LEU A 84 -8.897 6.961 -5.828 1.00 75.00 H new ATOM 0 HD12 LEU A 84 -9.544 5.661 -4.799 1.00 75.00 H new ATOM 0 HD13 LEU A 84 -10.644 6.622 -5.814 1.00 75.00 H new ATOM 0 HD21 LEU A 84 -9.327 9.347 -5.234 1.00 75.00 H new ATOM 0 HD22 LEU A 84 -11.082 9.052 -5.202 1.00 75.00 H new ATOM 0 HD23 LEU A 84 -10.270 9.744 -3.778 1.00 75.00 H new ATOM 1327 N GLU A 85 -12.555 7.062 -0.123 1.00 75.00 N ATOM 1328 CA GLU A 85 -13.734 6.593 0.595 1.00 75.00 C ATOM 1329 C GLU A 85 -14.619 5.734 -0.296 1.00 75.00 C ATOM 1330 O GLU A 85 -15.838 5.904 -0.327 1.00 75.00 O ATOM 1331 CB GLU A 85 -14.533 7.778 1.144 1.00 75.00 C ATOM 1332 CG GLU A 85 -13.774 8.639 2.145 1.00 75.00 C ATOM 1333 CD GLU A 85 -14.624 9.772 2.645 1.00 75.00 C ATOM 1334 OE1 GLU A 85 -15.756 9.866 2.235 1.00 75.00 O ATOM 1335 OE2 GLU A 85 -14.182 10.480 3.520 1.00 75.00 O ATOM 0 H GLU A 85 -11.669 6.845 0.334 1.00 75.00 H new ATOM 0 HA GLU A 85 -13.393 5.978 1.428 1.00 75.00 H new ATOM 0 HB2 GLU A 85 -14.849 8.405 0.310 1.00 75.00 H new ATOM 0 HB3 GLU A 85 -15.438 7.401 1.620 1.00 75.00 H new ATOM 0 HG2 GLU A 85 -13.452 8.025 2.986 1.00 75.00 H new ATOM 0 HG3 GLU A 85 -12.873 9.036 1.677 1.00 75.00 H new ATOM 1342 N HIS A 86 -13.999 4.812 -1.024 1.00 75.00 N ATOM 1343 CA HIS A 86 -14.725 3.943 -1.942 1.00 75.00 C ATOM 1344 C HIS A 86 -15.686 3.028 -1.191 1.00 75.00 C ATOM 1345 O HIS A 86 -15.358 2.510 -0.125 1.00 75.00 O ATOM 1346 CB HIS A 86 -13.753 3.105 -2.779 1.00 75.00 C ATOM 1347 CG HIS A 86 -14.365 2.541 -4.024 1.00 75.00 C ATOM 1348 ND1 HIS A 86 -15.356 1.582 -3.995 1.00 75.00 N ATOM 1349 CD2 HIS A 86 -14.123 2.795 -5.332 1.00 75.00 C ATOM 1350 CE1 HIS A 86 -15.701 1.273 -5.234 1.00 75.00 C ATOM 1351 NE2 HIS A 86 -14.967 1.995 -6.062 1.00 75.00 N ATOM 0 H HIS A 86 -12.993 4.647 -0.996 1.00 75.00 H new ATOM 0 HA HIS A 86 -15.306 4.580 -2.608 1.00 75.00 H new ATOM 0 HB2 HIS A 86 -12.897 3.722 -3.052 1.00 75.00 H new ATOM 0 HB3 HIS A 86 -13.373 2.286 -2.168 1.00 75.00 H new ATOM 0 HD2 HIS A 86 -13.402 3.495 -5.727 1.00 75.00 H new ATOM 0 HE1 HIS A 86 -16.454 0.554 -5.520 1.00 75.00 H new ATOM 0 HE2 HIS A 86 -15.019 1.963 -7.080 1.00 75.00 H new ATOM 1359 N HIS A 87 -16.874 2.837 -1.756 1.00 75.00 N ATOM 1360 CA HIS A 87 -17.957 2.163 -1.050 1.00 75.00 C ATOM 1361 C HIS A 87 -17.797 0.650 -1.113 1.00 75.00 C ATOM 1362 O HIS A 87 -18.329 -0.076 -0.273 1.00 75.00 O ATOM 1363 CB HIS A 87 -19.315 2.571 -1.628 1.00 75.00 C ATOM 1364 CG HIS A 87 -19.668 4.005 -1.382 1.00 75.00 C ATOM 1365 ND1 HIS A 87 -19.991 4.488 -0.132 1.00 75.00 N ATOM 1366 CD2 HIS A 87 -19.749 5.060 -2.226 1.00 75.00 C ATOM 1367 CE1 HIS A 87 -20.255 5.780 -0.218 1.00 75.00 C ATOM 1368 NE2 HIS A 87 -20.115 6.150 -1.479 1.00 75.00 N ATOM 0 H HIS A 87 -17.111 3.140 -2.701 1.00 75.00 H new ATOM 0 HA HIS A 87 -17.912 2.469 -0.005 1.00 75.00 H new ATOM 0 HB2 HIS A 87 -19.313 2.386 -2.702 1.00 75.00 H new ATOM 0 HB3 HIS A 87 -20.089 1.936 -1.196 1.00 75.00 H new ATOM 0 HD2 HIS A 87 -19.561 5.046 -3.289 1.00 75.00 H new ATOM 0 HE1 HIS A 87 -20.537 6.424 0.602 1.00 75.00 H new ATOM 0 HE2 HIS A 87 -20.256 7.094 -1.839 1.00 75.00 H new ATOM 1376 N HIS A 88 -17.061 0.178 -2.113 1.00 75.00 N ATOM 1377 CA HIS A 88 -16.922 -1.252 -2.355 1.00 75.00 C ATOM 1378 C HIS A 88 -15.458 -1.649 -2.495 1.00 75.00 C ATOM 1379 O HIS A 88 -14.584 -0.793 -2.637 1.00 75.00 O ATOM 1380 CB HIS A 88 -17.698 -1.667 -3.610 1.00 75.00 C ATOM 1381 CG HIS A 88 -19.163 -1.366 -3.536 1.00 75.00 C ATOM 1382 ND1 HIS A 88 -20.043 -2.126 -2.795 1.00 75.00 N ATOM 1383 CD2 HIS A 88 -19.902 -0.392 -4.114 1.00 75.00 C ATOM 1384 CE1 HIS A 88 -21.262 -1.629 -2.919 1.00 75.00 C ATOM 1385 NE2 HIS A 88 -21.203 -0.576 -3.713 1.00 75.00 N ATOM 0 H HIS A 88 -16.550 0.767 -2.771 1.00 75.00 H new ATOM 0 HA HIS A 88 -17.338 -1.773 -1.493 1.00 75.00 H new ATOM 0 HB2 HIS A 88 -17.274 -1.156 -4.475 1.00 75.00 H new ATOM 0 HB3 HIS A 88 -17.563 -2.736 -3.773 1.00 75.00 H new ATOM 0 HD2 HIS A 88 -19.537 0.386 -4.769 1.00 75.00 H new ATOM 0 HE1 HIS A 88 -22.154 -2.018 -2.451 1.00 75.00 H new ATOM 0 HE2 HIS A 88 -21.995 0.007 -3.985 1.00 75.00 H new ATOM 1393 N HIS A 89 -15.195 -2.950 -2.452 1.00 75.00 N ATOM 1394 CA HIS A 89 -13.856 -3.470 -2.700 1.00 75.00 C ATOM 1395 C HIS A 89 -13.910 -4.891 -3.249 1.00 75.00 C ATOM 1396 O HIS A 89 -14.983 -5.488 -3.349 1.00 75.00 O ATOM 1397 CB HIS A 89 -13.016 -3.436 -1.420 1.00 75.00 C ATOM 1398 CG HIS A 89 -13.531 -4.333 -0.337 1.00 75.00 C ATOM 1399 ND1 HIS A 89 -14.562 -3.968 0.502 1.00 75.00 N ATOM 1400 CD2 HIS A 89 -13.158 -5.578 0.042 1.00 75.00 C ATOM 1401 CE1 HIS A 89 -14.801 -4.952 1.353 1.00 75.00 C ATOM 1402 NE2 HIS A 89 -13.961 -5.939 1.094 1.00 75.00 N ATOM 0 H HIS A 89 -15.893 -3.665 -2.247 1.00 75.00 H new ATOM 0 HA HIS A 89 -13.387 -2.830 -3.447 1.00 75.00 H new ATOM 0 HB2 HIS A 89 -11.992 -3.722 -1.660 1.00 75.00 H new ATOM 0 HB3 HIS A 89 -12.981 -2.413 -1.046 1.00 75.00 H new ATOM 0 HD1 HIS A 89 -15.062 -3.079 0.471 1.00 75.00 H new ATOM 0 HD2 HIS A 89 -12.375 -6.175 -0.401 1.00 75.00 H new ATOM 0 HE1 HIS A 89 -15.554 -4.949 2.127 1.00 75.00 H new ATOM 1410 N HIS A 90 -12.748 -5.426 -3.605 1.00 75.00 N ATOM 1411 CA HIS A 90 -12.670 -6.746 -4.222 1.00 75.00 C ATOM 1412 C HIS A 90 -11.896 -7.719 -3.343 1.00 75.00 C ATOM 1413 O HIS A 90 -11.086 -7.311 -2.509 1.00 75.00 O ATOM 1414 CB HIS A 90 -12.019 -6.659 -5.606 1.00 75.00 C ATOM 1415 CG HIS A 90 -12.816 -5.869 -6.597 1.00 75.00 C ATOM 1416 ND1 HIS A 90 -12.238 -5.217 -7.666 1.00 75.00 N ATOM 1417 CD2 HIS A 90 -14.145 -5.624 -6.681 1.00 75.00 C ATOM 1418 CE1 HIS A 90 -13.180 -4.607 -8.366 1.00 75.00 C ATOM 1419 NE2 HIS A 90 -14.344 -4.837 -7.788 1.00 75.00 N ATOM 0 H HIS A 90 -11.846 -4.966 -3.477 1.00 75.00 H new ATOM 0 HA HIS A 90 -13.688 -7.119 -4.334 1.00 75.00 H new ATOM 0 HB2 HIS A 90 -11.031 -6.209 -5.506 1.00 75.00 H new ATOM 0 HB3 HIS A 90 -11.872 -7.667 -5.993 1.00 75.00 H new ATOM 0 HD1 HIS A 90 -11.241 -5.207 -7.883 1.00 75.00 H new ATOM 0 HD2 HIS A 90 -14.906 -5.981 -6.003 1.00 75.00 H new ATOM 0 HE1 HIS A 90 -13.023 -4.020 -9.259 1.00 75.00 H new ATOM 1427 N HIS A 91 -12.146 -9.010 -3.533 1.00 75.00 N ATOM 1428 CA HIS A 91 -11.396 -10.049 -2.837 1.00 75.00 C ATOM 1429 C HIS A 91 -10.379 -10.706 -3.760 1.00 75.00 C ATOM 1430 O HIS A 91 -9.330 -10.165 -3.981 1.00 75.00 O ATOM 1431 CB HIS A 91 -12.343 -11.107 -2.262 1.00 75.00 C ATOM 1432 CG HIS A 91 -13.112 -10.640 -1.065 1.00 75.00 C ATOM 1433 ND1 HIS A 91 -12.570 -10.618 0.204 1.00 75.00 N ATOM 1434 CD2 HIS A 91 -14.378 -10.180 -0.943 1.00 75.00 C ATOM 1435 CE1 HIS A 91 -13.473 -10.162 1.054 1.00 75.00 C ATOM 1436 NE2 HIS A 91 -14.579 -9.890 0.384 1.00 75.00 N ATOM 1437 OXT HIS A 91 -10.625 -11.765 -4.267 1.00 75.00 O ATOM 0 H HIS A 91 -12.865 -9.363 -4.165 1.00 75.00 H new ATOM 0 HA HIS A 91 -10.858 -9.574 -2.016 1.00 75.00 H new ATOM 0 HB2 HIS A 91 -13.045 -11.413 -3.037 1.00 75.00 H new ATOM 0 HB3 HIS A 91 -11.765 -11.990 -1.989 1.00 75.00 H new ATOM 0 HD2 HIS A 91 -15.097 -10.063 -1.741 1.00 75.00 H new ATOM 0 HE1 HIS A 91 -13.331 -10.033 2.117 1.00 75.00 H new ATOM 0 HE2 HIS A 91 -15.442 -9.524 0.787 1.00 75.00 H new TER 1445 HIS A 91