USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 926 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 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0374 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 167:sc= 0 (180deg=-0.187) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 78:sc= 0.089 USER MOD Single : A 16 CYS SG : rot 80:sc= 0.011 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= 2.44 (180deg=2.28) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.405 K(o=0.41,f=-0.42) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.16) USER MOD Single : A 39 SER OG : rot 170:sc= 0.0728 USER MOD Single : A 41 MET CE :methyl -172:sc= -0.0574 (180deg=-0.115) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 1.14 (180deg=1.06) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -110:sc= -0.255 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.0697 X(o=-0.07,f=-0.33) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= 0.362 F(o=-1.9!,f=0.36) USER MOD Single : A 99 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.12) USER MOD Single : A 104 THR OG1 : rot 146:sc= 1.28 USER MOD Single : A 105 GLN : amide:sc= 1.8 K(o=1.8,f=0) USER MOD Single : A 107 ASN : amide:sc= 0.672 K(o=0.67,f=-1) USER MOD Single : A 109 MET CE :methyl 159:sc= -0.862 (180deg=-1.24) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.075 17.839 -4.889 1.00 0.00 N ATOM 2 CA GLY A 1 -17.489 17.074 -3.690 1.00 0.00 C ATOM 3 C GLY A 1 -16.435 16.055 -3.282 1.00 0.00 C ATOM 4 O GLY A 1 -15.684 15.561 -4.124 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.704 18.766 -4.598 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.335 17.314 -5.397 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.895 17.974 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.670 17.762 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.431 16.563 -3.891 1.00 0.00 H new ATOM 10 N SER A 2 -16.365 15.721 -1.988 1.00 0.00 N ATOM 11 CA SER A 2 -15.406 14.754 -1.416 1.00 0.00 C ATOM 12 C SER A 2 -15.792 13.297 -1.733 1.00 0.00 C ATOM 13 O SER A 2 -16.311 12.567 -0.884 1.00 0.00 O ATOM 14 CB SER A 2 -15.265 14.967 0.100 1.00 0.00 C ATOM 15 OG SER A 2 -14.717 16.249 0.382 1.00 0.00 O ATOM 0 H SER A 2 -16.988 16.123 -1.287 1.00 0.00 H new ATOM 0 HA SER A 2 -14.440 14.937 -1.886 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.240 14.871 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.625 14.192 0.523 1.00 0.00 H new ATOM 0 HG SER A 2 -14.637 16.365 1.352 1.00 0.00 H new ATOM 21 N MET A 3 -15.558 12.871 -2.977 1.00 0.00 N ATOM 22 CA MET A 3 -15.831 11.513 -3.468 1.00 0.00 C ATOM 23 C MET A 3 -14.936 10.470 -2.778 1.00 0.00 C ATOM 24 O MET A 3 -13.744 10.710 -2.583 1.00 0.00 O ATOM 25 CB MET A 3 -15.592 11.480 -4.987 1.00 0.00 C ATOM 26 CG MET A 3 -16.321 10.326 -5.684 1.00 0.00 C ATOM 27 SD MET A 3 -18.129 10.474 -5.747 1.00 0.00 S ATOM 28 CE MET A 3 -18.288 11.851 -6.921 1.00 0.00 C ATOM 0 H MET A 3 -15.161 13.478 -3.694 1.00 0.00 H new ATOM 0 HA MET A 3 -16.866 11.261 -3.238 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.920 12.424 -5.421 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.522 11.395 -5.179 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.944 10.243 -6.703 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.067 9.397 -5.174 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.323 11.927 -7.254 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.994 12.781 -6.433 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.642 11.673 -7.781 1.00 0.00 H new ATOM 38 N HIS A 4 -15.475 9.286 -2.467 1.00 0.00 N ATOM 39 CA HIS A 4 -14.735 8.202 -1.805 1.00 0.00 C ATOM 40 C HIS A 4 -13.477 7.768 -2.585 1.00 0.00 C ATOM 41 O HIS A 4 -12.383 7.708 -2.023 1.00 0.00 O ATOM 42 CB HIS A 4 -15.686 7.021 -1.556 1.00 0.00 C ATOM 43 CG HIS A 4 -15.048 5.901 -0.771 1.00 0.00 C ATOM 44 ND1 HIS A 4 -14.584 4.709 -1.285 1.00 0.00 N ATOM 45 CD2 HIS A 4 -14.817 5.891 0.578 1.00 0.00 C ATOM 46 CE1 HIS A 4 -14.080 3.991 -0.266 1.00 0.00 C ATOM 47 NE2 HIS A 4 -14.201 4.671 0.889 1.00 0.00 N ATOM 0 H HIS A 4 -16.446 9.049 -2.669 1.00 0.00 H new ATOM 0 HA HIS A 4 -14.366 8.578 -0.851 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.565 7.377 -1.019 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.033 6.633 -2.514 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -15.064 6.678 1.275 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.641 3.009 -0.361 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.902 4.359 1.813 1.00 0.00 H new ATOM 55 N GLU A 5 -13.600 7.526 -3.896 1.00 0.00 N ATOM 56 CA GLU A 5 -12.479 7.131 -4.770 1.00 0.00 C ATOM 57 C GLU A 5 -11.384 8.209 -4.938 1.00 0.00 C ATOM 58 O GLU A 5 -10.256 7.886 -5.314 1.00 0.00 O ATOM 59 CB GLU A 5 -13.015 6.666 -6.136 1.00 0.00 C ATOM 60 CG GLU A 5 -13.625 7.787 -6.991 1.00 0.00 C ATOM 61 CD GLU A 5 -14.282 7.207 -8.260 1.00 0.00 C ATOM 62 OE1 GLU A 5 -13.567 6.942 -9.257 1.00 0.00 O ATOM 63 OE2 GLU A 5 -15.522 7.003 -8.264 1.00 0.00 O ATOM 0 H GLU A 5 -14.490 7.599 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.980 6.303 -4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.201 6.202 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.770 5.897 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.367 8.333 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.850 8.501 -7.270 1.00 0.00 H new ATOM 70 N TYR A 6 -11.686 9.471 -4.609 1.00 0.00 N ATOM 71 CA TYR A 6 -10.743 10.598 -4.603 1.00 0.00 C ATOM 72 C TYR A 6 -10.290 11.008 -3.190 1.00 0.00 C ATOM 73 O TYR A 6 -9.496 11.940 -3.048 1.00 0.00 O ATOM 74 CB TYR A 6 -11.346 11.784 -5.376 1.00 0.00 C ATOM 75 CG TYR A 6 -11.647 11.536 -6.849 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.711 10.860 -7.661 1.00 0.00 C ATOM 77 CD2 TYR A 6 -12.825 12.051 -7.430 1.00 0.00 C ATOM 78 CE1 TYR A 6 -10.947 10.701 -9.038 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.073 11.877 -8.805 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.132 11.203 -9.615 1.00 0.00 C ATOM 81 OH TYR A 6 -12.352 11.054 -10.951 1.00 0.00 O ATOM 0 H TYR A 6 -12.628 9.746 -4.329 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.836 10.266 -5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.271 12.082 -4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.659 12.627 -5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.808 10.462 -7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.539 12.581 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.220 10.194 -9.655 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.984 12.259 -9.241 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.215 11.454 -11.187 1.00 0.00 H new ATOM 91 N SER A 7 -10.742 10.302 -2.146 1.00 0.00 N ATOM 92 CA SER A 7 -10.364 10.551 -0.751 1.00 0.00 C ATOM 93 C SER A 7 -8.855 10.370 -0.572 1.00 0.00 C ATOM 94 O SER A 7 -8.156 11.325 -0.235 1.00 0.00 O ATOM 95 CB SER A 7 -11.163 9.641 0.190 1.00 0.00 C ATOM 96 OG SER A 7 -10.886 9.964 1.543 1.00 0.00 O ATOM 0 H SER A 7 -11.395 9.525 -2.251 1.00 0.00 H new ATOM 0 HA SER A 7 -10.606 11.582 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.230 9.751 -0.006 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.910 8.598 -0.001 1.00 0.00 H new ATOM 0 HG SER A 7 -11.404 9.377 2.132 1.00 0.00 H new ATOM 102 N VAL A 8 -8.329 9.182 -0.904 1.00 0.00 N ATOM 103 CA VAL A 8 -6.886 8.875 -0.850 1.00 0.00 C ATOM 104 C VAL A 8 -6.066 9.845 -1.699 1.00 0.00 C ATOM 105 O VAL A 8 -5.053 10.364 -1.245 1.00 0.00 O ATOM 106 CB VAL A 8 -6.536 7.439 -1.302 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.394 6.906 -0.437 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.688 6.437 -1.275 1.00 0.00 C ATOM 0 H VAL A 8 -8.897 8.396 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.631 8.978 0.205 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.256 7.530 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.142 5.893 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.521 7.549 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.703 6.896 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.331 5.463 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.072 6.352 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.484 6.780 -1.936 1.00 0.00 H new ATOM 118 N VAL A 9 -6.517 10.104 -2.930 1.00 0.00 N ATOM 119 CA VAL A 9 -5.878 10.998 -3.900 1.00 0.00 C ATOM 120 C VAL A 9 -5.644 12.400 -3.315 1.00 0.00 C ATOM 121 O VAL A 9 -4.507 12.867 -3.239 1.00 0.00 O ATOM 122 CB VAL A 9 -6.748 11.083 -5.164 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.103 11.955 -6.238 1.00 0.00 C ATOM 124 CG2 VAL A 9 -6.999 9.702 -5.787 1.00 0.00 C ATOM 0 H VAL A 9 -7.371 9.680 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.901 10.587 -4.153 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.691 11.521 -4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.749 11.989 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.962 12.964 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.136 11.535 -6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.618 9.812 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.047 9.248 -6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.511 9.065 -5.066 1.00 0.00 H new ATOM 134 N SER A 10 -6.718 13.057 -2.862 1.00 0.00 N ATOM 135 CA SER A 10 -6.664 14.329 -2.128 1.00 0.00 C ATOM 136 C SER A 10 -5.800 14.235 -0.861 1.00 0.00 C ATOM 137 O SER A 10 -4.999 15.134 -0.592 1.00 0.00 O ATOM 138 CB SER A 10 -8.092 14.768 -1.776 1.00 0.00 C ATOM 139 OG SER A 10 -8.109 16.016 -1.103 1.00 0.00 O ATOM 0 H SER A 10 -7.669 12.713 -2.998 1.00 0.00 H new ATOM 0 HA SER A 10 -6.194 15.073 -2.772 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.686 14.839 -2.688 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.561 14.010 -1.148 1.00 0.00 H new ATOM 0 HG SER A 10 -9.034 16.264 -0.896 1.00 0.00 H new ATOM 145 N SER A 11 -5.896 13.133 -0.107 1.00 0.00 N ATOM 146 CA SER A 11 -5.093 12.913 1.110 1.00 0.00 C ATOM 147 C SER A 11 -3.586 12.864 0.836 1.00 0.00 C ATOM 148 O SER A 11 -2.837 13.469 1.601 1.00 0.00 O ATOM 149 CB SER A 11 -5.510 11.647 1.870 1.00 0.00 C ATOM 150 OG SER A 11 -6.762 11.820 2.514 1.00 0.00 O ATOM 0 H SER A 11 -6.533 12.365 -0.321 1.00 0.00 H new ATOM 0 HA SER A 11 -5.298 13.782 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.568 10.807 1.177 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.750 11.398 2.610 1.00 0.00 H new ATOM 0 HG SER A 11 -7.483 11.734 1.856 1.00 0.00 H new ATOM 156 N LEU A 12 -3.126 12.221 -0.247 1.00 0.00 N ATOM 157 CA LEU A 12 -1.724 12.271 -0.695 1.00 0.00 C ATOM 158 C LEU A 12 -1.286 13.729 -0.885 1.00 0.00 C ATOM 159 O LEU A 12 -0.366 14.199 -0.222 1.00 0.00 O ATOM 160 CB LEU A 12 -1.525 11.481 -2.010 1.00 0.00 C ATOM 161 CG LEU A 12 -0.994 10.051 -1.837 1.00 0.00 C ATOM 162 CD1 LEU A 12 -2.012 9.117 -1.188 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.627 9.480 -3.207 1.00 0.00 C ATOM 0 H LEU A 12 -3.721 11.646 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.107 11.805 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.478 11.437 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.834 12.034 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.125 10.112 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.581 8.120 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.276 9.496 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.907 9.067 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.249 8.464 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.511 9.466 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.142 10.102 -3.666 1.00 0.00 H new ATOM 175 N ILE A 13 -1.974 14.443 -1.778 1.00 0.00 N ATOM 176 CA ILE A 13 -1.693 15.831 -2.167 1.00 0.00 C ATOM 177 C ILE A 13 -1.610 16.756 -0.941 1.00 0.00 C ATOM 178 O ILE A 13 -0.627 17.483 -0.776 1.00 0.00 O ATOM 179 CB ILE A 13 -2.754 16.277 -3.201 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.560 15.474 -4.509 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.693 17.787 -3.485 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.733 15.584 -5.481 1.00 0.00 C ATOM 0 H ILE A 13 -2.777 14.055 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.711 15.897 -2.636 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.740 16.075 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.655 15.821 -5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.404 14.424 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.457 18.051 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.869 18.338 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.710 18.044 -3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.523 14.994 -6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.638 15.209 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.877 16.628 -5.761 1.00 0.00 H new ATOM 194 N ALA A 14 -2.610 16.713 -0.057 1.00 0.00 N ATOM 195 CA ALA A 14 -2.638 17.537 1.150 1.00 0.00 C ATOM 196 C ALA A 14 -1.563 17.145 2.185 1.00 0.00 C ATOM 197 O ALA A 14 -0.938 18.030 2.768 1.00 0.00 O ATOM 198 CB ALA A 14 -4.042 17.493 1.756 1.00 0.00 C ATOM 0 H ALA A 14 -3.423 16.105 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.394 18.559 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.069 18.106 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.762 17.878 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.297 16.464 2.010 1.00 0.00 H new ATOM 204 N LEU A 15 -1.311 15.849 2.410 1.00 0.00 N ATOM 205 CA LEU A 15 -0.258 15.372 3.319 1.00 0.00 C ATOM 206 C LEU A 15 1.138 15.806 2.844 1.00 0.00 C ATOM 207 O LEU A 15 1.937 16.296 3.644 1.00 0.00 O ATOM 208 CB LEU A 15 -0.360 13.842 3.458 1.00 0.00 C ATOM 209 CG LEU A 15 0.616 13.219 4.473 1.00 0.00 C ATOM 210 CD1 LEU A 15 0.328 13.687 5.902 1.00 0.00 C ATOM 211 CD2 LEU A 15 0.489 11.696 4.430 1.00 0.00 C ATOM 0 H LEU A 15 -1.835 15.096 1.964 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.405 15.825 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.378 13.585 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.184 13.390 2.482 1.00 0.00 H new ATOM 0 HG LEU A 15 1.622 13.537 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.039 13.224 6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.425 14.771 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.685 13.399 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.179 11.253 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.532 11.409 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.729 11.339 3.428 1.00 0.00 H new ATOM 223 N CYS A 16 1.417 15.676 1.544 1.00 0.00 N ATOM 224 CA CYS A 16 2.639 16.175 0.919 1.00 0.00 C ATOM 225 C CYS A 16 2.800 17.691 1.105 1.00 0.00 C ATOM 226 O CYS A 16 3.861 18.135 1.537 1.00 0.00 O ATOM 227 CB CYS A 16 2.651 15.814 -0.568 1.00 0.00 C ATOM 228 SG CYS A 16 2.762 14.019 -0.798 1.00 0.00 S ATOM 0 H CYS A 16 0.788 15.213 0.888 1.00 0.00 H new ATOM 0 HA CYS A 16 3.485 15.697 1.413 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.746 16.190 -1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.495 16.300 -1.057 1.00 0.00 H new ATOM 0 HG CYS A 16 1.588 13.486 -0.628 1.00 0.00 H new ATOM 234 N GLU A 17 1.757 18.485 0.826 1.00 0.00 N ATOM 235 CA GLU A 17 1.754 19.933 1.084 1.00 0.00 C ATOM 236 C GLU A 17 2.066 20.261 2.558 1.00 0.00 C ATOM 237 O GLU A 17 2.944 21.079 2.844 1.00 0.00 O ATOM 238 CB GLU A 17 0.404 20.546 0.664 1.00 0.00 C ATOM 239 CG GLU A 17 0.509 22.073 0.523 1.00 0.00 C ATOM 240 CD GLU A 17 -0.823 22.817 0.745 1.00 0.00 C ATOM 241 OE1 GLU A 17 -1.373 22.736 1.872 1.00 0.00 O ATOM 242 OE2 GLU A 17 -1.266 23.566 -0.158 1.00 0.00 O ATOM 0 H GLU A 17 0.889 18.141 0.414 1.00 0.00 H new ATOM 0 HA GLU A 17 2.549 20.375 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.083 20.112 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.357 20.298 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.244 22.444 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.884 22.311 -0.472 1.00 0.00 H new ATOM 249 N GLU A 18 1.362 19.623 3.495 1.00 0.00 N ATOM 250 CA GLU A 18 1.470 19.859 4.938 1.00 0.00 C ATOM 251 C GLU A 18 2.844 19.487 5.511 1.00 0.00 C ATOM 252 O GLU A 18 3.372 20.212 6.354 1.00 0.00 O ATOM 253 CB GLU A 18 0.330 19.115 5.656 1.00 0.00 C ATOM 254 CG GLU A 18 0.121 19.527 7.124 1.00 0.00 C ATOM 255 CD GLU A 18 -0.299 21.001 7.316 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.803 21.640 6.359 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.136 21.531 8.443 1.00 0.00 O ATOM 0 H GLU A 18 0.677 18.903 3.263 1.00 0.00 H new ATOM 0 HA GLU A 18 1.372 20.931 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.598 19.284 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.532 18.045 5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.641 18.884 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.045 19.350 7.674 1.00 0.00 H new ATOM 264 N HIS A 19 3.472 18.414 5.027 1.00 0.00 N ATOM 265 CA HIS A 19 4.873 18.118 5.335 1.00 0.00 C ATOM 266 C HIS A 19 5.841 19.104 4.664 1.00 0.00 C ATOM 267 O HIS A 19 6.783 19.554 5.313 1.00 0.00 O ATOM 268 CB HIS A 19 5.207 16.679 4.930 1.00 0.00 C ATOM 269 CG HIS A 19 4.557 15.615 5.787 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.259 15.704 7.133 1.00 0.00 N ATOM 271 CD2 HIS A 19 4.248 14.345 5.384 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.777 14.514 7.530 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.760 13.651 6.499 1.00 0.00 N ATOM 0 H HIS A 19 3.028 17.730 4.415 1.00 0.00 H new ATOM 0 HA HIS A 19 5.001 18.231 6.412 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.904 16.528 3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.288 16.547 4.968 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.360 13.948 4.386 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.450 14.284 8.533 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.452 12.679 6.524 1.00 0.00 H new ATOM 281 N ALA A 20 5.633 19.474 3.396 1.00 0.00 N ATOM 282 CA ALA A 20 6.571 20.330 2.663 1.00 0.00 C ATOM 283 C ALA A 20 6.680 21.739 3.259 1.00 0.00 C ATOM 284 O ALA A 20 7.788 22.262 3.372 1.00 0.00 O ATOM 285 CB ALA A 20 6.200 20.401 1.181 1.00 0.00 C ATOM 0 H ALA A 20 4.817 19.191 2.853 1.00 0.00 H new ATOM 0 HA ALA A 20 7.554 19.868 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.910 21.042 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.229 19.400 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.196 20.812 1.077 1.00 0.00 H new ATOM 291 N LYS A 21 5.563 22.348 3.680 1.00 0.00 N ATOM 292 CA LYS A 21 5.575 23.638 4.398 1.00 0.00 C ATOM 293 C LYS A 21 6.236 23.545 5.783 1.00 0.00 C ATOM 294 O LYS A 21 6.909 24.485 6.204 1.00 0.00 O ATOM 295 CB LYS A 21 4.148 24.220 4.478 1.00 0.00 C ATOM 296 CG LYS A 21 3.233 23.413 5.413 1.00 0.00 C ATOM 297 CD LYS A 21 1.780 23.901 5.472 1.00 0.00 C ATOM 298 CE LYS A 21 1.031 23.606 4.163 1.00 0.00 C ATOM 299 NZ LYS A 21 -0.438 23.555 4.367 1.00 0.00 N ATOM 0 H LYS A 21 4.628 21.966 3.535 1.00 0.00 H new ATOM 0 HA LYS A 21 6.195 24.325 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.199 25.251 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.712 24.242 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.239 22.371 5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.651 23.440 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.266 23.417 6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.763 24.973 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.269 24.374 3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.374 22.656 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.886 23.096 3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.650 23.012 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.808 24.522 4.468 1.00 0.00 H new ATOM 313 N LYS A 22 6.082 22.409 6.480 1.00 0.00 N ATOM 314 CA LYS A 22 6.580 22.189 7.856 1.00 0.00 C ATOM 315 C LYS A 22 8.083 21.899 7.870 1.00 0.00 C ATOM 316 O LYS A 22 8.813 22.392 8.727 1.00 0.00 O ATOM 317 CB LYS A 22 5.772 21.046 8.502 1.00 0.00 C ATOM 318 CG LYS A 22 5.962 20.894 10.022 1.00 0.00 C ATOM 319 CD LYS A 22 5.331 22.055 10.812 1.00 0.00 C ATOM 320 CE LYS A 22 5.340 21.810 12.327 1.00 0.00 C ATOM 321 NZ LYS A 22 6.706 21.894 12.911 1.00 0.00 N ATOM 0 H LYS A 22 5.598 21.597 6.098 1.00 0.00 H new ATOM 0 HA LYS A 22 6.439 23.099 8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.714 21.209 8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.049 20.108 8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.519 19.953 10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.027 20.840 10.249 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.872 22.975 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.304 22.202 10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.695 22.542 12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.920 20.826 12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.657 21.721 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.317 21.179 12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.100 22.841 12.738 1.00 0.00 H new ATOM 335 N ASN A 23 8.541 21.155 6.865 1.00 0.00 N ATOM 336 CA ASN A 23 9.950 20.896 6.552 1.00 0.00 C ATOM 337 C ASN A 23 10.623 22.070 5.805 1.00 0.00 C ATOM 338 O ASN A 23 11.822 22.023 5.529 1.00 0.00 O ATOM 339 CB ASN A 23 10.010 19.581 5.746 1.00 0.00 C ATOM 340 CG ASN A 23 11.410 18.994 5.630 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.217 19.040 6.549 1.00 0.00 O ATOM 342 ND2 ASN A 23 11.737 18.388 4.511 1.00 0.00 N ATOM 0 H ASN A 23 7.909 20.692 6.212 1.00 0.00 H new ATOM 0 HA ASN A 23 10.518 20.798 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.356 18.847 6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.618 19.761 4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.658 17.960 4.413 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.070 18.345 3.740 1.00 0.00 H new ATOM 349 N GLN A 24 9.860 23.123 5.478 1.00 0.00 N ATOM 350 CA GLN A 24 10.285 24.327 4.747 1.00 0.00 C ATOM 351 C GLN A 24 10.874 24.003 3.354 1.00 0.00 C ATOM 352 O GLN A 24 11.702 24.741 2.815 1.00 0.00 O ATOM 353 CB GLN A 24 11.208 25.185 5.638 1.00 0.00 C ATOM 354 CG GLN A 24 10.544 25.615 6.959 1.00 0.00 C ATOM 355 CD GLN A 24 11.575 26.146 7.951 1.00 0.00 C ATOM 356 OE1 GLN A 24 11.922 27.321 7.972 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.113 25.300 8.807 1.00 0.00 N ATOM 0 H GLN A 24 8.873 23.160 5.731 1.00 0.00 H new ATOM 0 HA GLN A 24 9.404 24.929 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.114 24.622 5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.513 26.074 5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.798 26.384 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.018 24.767 7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.832 24.319 8.800 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.810 25.626 9.477 1.00 0.00 H new ATOM 366 N ALA A 25 10.460 22.870 2.776 1.00 0.00 N ATOM 367 CA ALA A 25 10.927 22.334 1.502 1.00 0.00 C ATOM 368 C ALA A 25 10.216 22.981 0.300 1.00 0.00 C ATOM 369 O ALA A 25 10.846 23.253 -0.722 1.00 0.00 O ATOM 370 CB ALA A 25 10.676 20.820 1.534 1.00 0.00 C ATOM 0 H ALA A 25 9.754 22.275 3.210 1.00 0.00 H new ATOM 0 HA ALA A 25 11.986 22.556 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.012 20.376 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.227 20.377 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.611 20.631 1.664 1.00 0.00 H new ATOM 376 N HIS A 26 8.901 23.218 0.426 1.00 0.00 N ATOM 377 CA HIS A 26 7.999 23.767 -0.602 1.00 0.00 C ATOM 378 C HIS A 26 8.101 23.091 -1.996 1.00 0.00 C ATOM 379 O HIS A 26 7.799 23.703 -3.024 1.00 0.00 O ATOM 380 CB HIS A 26 8.129 25.300 -0.628 1.00 0.00 C ATOM 381 CG HIS A 26 7.845 25.935 0.714 1.00 0.00 C ATOM 382 ND1 HIS A 26 6.598 26.184 1.247 1.00 0.00 N ATOM 383 CD2 HIS A 26 8.777 26.334 1.634 1.00 0.00 C ATOM 384 CE1 HIS A 26 6.773 26.726 2.465 1.00 0.00 C ATOM 385 NE2 HIS A 26 8.084 26.829 2.747 1.00 0.00 N ATOM 0 H HIS A 26 8.409 23.021 1.298 1.00 0.00 H new ATOM 0 HA HIS A 26 6.979 23.515 -0.311 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.136 25.569 -0.946 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.441 25.706 -1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.850 26.278 1.522 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.974 27.035 3.123 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.495 27.196 3.605 1.00 0.00 H new ATOM 393 N LYS A 27 8.517 21.817 -2.030 1.00 0.00 N ATOM 394 CA LYS A 27 8.672 20.944 -3.209 1.00 0.00 C ATOM 395 C LYS A 27 8.436 19.473 -2.846 1.00 0.00 C ATOM 396 O LYS A 27 8.434 19.103 -1.672 1.00 0.00 O ATOM 397 CB LYS A 27 10.109 21.095 -3.772 1.00 0.00 C ATOM 398 CG LYS A 27 10.368 22.314 -4.672 1.00 0.00 C ATOM 399 CD LYS A 27 9.596 22.242 -6.000 1.00 0.00 C ATOM 400 CE LYS A 27 10.101 23.326 -6.959 1.00 0.00 C ATOM 401 NZ LYS A 27 9.440 23.230 -8.286 1.00 0.00 N ATOM 0 H LYS A 27 8.774 21.331 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 27 7.934 21.243 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.802 21.138 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.350 20.195 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.084 23.221 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.435 22.388 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.723 21.258 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.529 22.374 -5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.914 24.310 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.180 23.231 -7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.779 23.998 -8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.667 22.313 -8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.410 23.311 -8.167 1.00 0.00 H new ATOM 415 N ILE A 28 8.320 18.636 -3.876 1.00 0.00 N ATOM 416 CA ILE A 28 8.356 17.166 -3.829 1.00 0.00 C ATOM 417 C ILE A 28 9.386 16.675 -4.868 1.00 0.00 C ATOM 418 O ILE A 28 9.643 17.347 -5.867 1.00 0.00 O ATOM 419 CB ILE A 28 6.941 16.588 -4.100 1.00 0.00 C ATOM 420 CG1 ILE A 28 5.879 17.144 -3.122 1.00 0.00 C ATOM 421 CG2 ILE A 28 6.943 15.047 -4.037 1.00 0.00 C ATOM 422 CD1 ILE A 28 4.446 16.728 -3.478 1.00 0.00 C ATOM 0 H ILE A 28 8.190 18.983 -4.826 1.00 0.00 H new ATOM 0 HA ILE A 28 8.658 16.819 -2.841 1.00 0.00 H new ATOM 0 HB ILE A 28 6.672 16.906 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.109 16.800 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.941 18.232 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.938 14.674 -4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.628 14.653 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.265 14.724 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.753 17.152 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.197 17.095 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.368 15.641 -3.462 1.00 0.00 H new ATOM 434 N GLU A 29 9.966 15.495 -4.655 1.00 0.00 N ATOM 435 CA GLU A 29 10.657 14.707 -5.685 1.00 0.00 C ATOM 436 C GLU A 29 9.718 13.597 -6.192 1.00 0.00 C ATOM 437 O GLU A 29 9.311 13.611 -7.357 1.00 0.00 O ATOM 438 CB GLU A 29 11.977 14.159 -5.115 1.00 0.00 C ATOM 439 CG GLU A 29 12.813 13.354 -6.119 1.00 0.00 C ATOM 440 CD GLU A 29 13.412 14.247 -7.223 1.00 0.00 C ATOM 441 OE1 GLU A 29 14.505 14.825 -7.012 1.00 0.00 O ATOM 442 OE2 GLU A 29 12.801 14.364 -8.312 1.00 0.00 O ATOM 0 H GLU A 29 9.971 15.045 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 29 10.913 15.331 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.575 14.993 -4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.753 13.526 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.618 12.842 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.190 12.584 -6.574 1.00 0.00 H new ATOM 449 N ARG A 30 9.316 12.672 -5.305 1.00 0.00 N ATOM 450 CA ARG A 30 8.326 11.615 -5.583 1.00 0.00 C ATOM 451 C ARG A 30 7.512 11.195 -4.352 1.00 0.00 C ATOM 452 O ARG A 30 7.838 11.550 -3.226 1.00 0.00 O ATOM 453 CB ARG A 30 9.016 10.413 -6.261 1.00 0.00 C ATOM 454 CG ARG A 30 10.106 9.732 -5.416 1.00 0.00 C ATOM 455 CD ARG A 30 10.798 8.593 -6.178 1.00 0.00 C ATOM 456 NE ARG A 30 11.616 9.098 -7.302 1.00 0.00 N ATOM 457 CZ ARG A 30 12.850 9.574 -7.260 1.00 0.00 C ATOM 458 NH1 ARG A 30 13.540 9.623 -6.155 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.421 10.022 -8.340 1.00 0.00 N ATOM 0 H ARG A 30 9.678 12.636 -4.352 1.00 0.00 H new ATOM 0 HA ARG A 30 7.592 12.034 -6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.257 9.673 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.460 10.748 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.849 10.472 -5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.663 9.339 -4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.431 8.030 -5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.046 7.901 -6.558 1.00 0.00 H new ATOM 0 HE ARG A 30 11.175 9.077 -8.222 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.131 9.287 -5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.489 9.997 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.917 10.008 -9.227 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.372 10.387 -8.300 1.00 0.00 H new ATOM 473 N VAL A 31 6.473 10.395 -4.572 1.00 0.00 N ATOM 474 CA VAL A 31 5.562 9.806 -3.578 1.00 0.00 C ATOM 475 C VAL A 31 5.442 8.307 -3.856 1.00 0.00 C ATOM 476 O VAL A 31 4.922 7.904 -4.893 1.00 0.00 O ATOM 477 CB VAL A 31 4.190 10.497 -3.633 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.191 9.864 -2.660 1.00 0.00 C ATOM 479 CG2 VAL A 31 4.294 11.999 -3.344 1.00 0.00 C ATOM 0 H VAL A 31 6.221 10.116 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 31 5.958 9.953 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 31 3.825 10.359 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.235 10.383 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.053 8.813 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.573 9.945 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.302 12.448 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.712 12.150 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.942 12.468 -4.085 1.00 0.00 H new ATOM 489 N VAL A 32 5.989 7.481 -2.970 1.00 0.00 N ATOM 490 CA VAL A 32 6.073 6.020 -3.082 1.00 0.00 C ATOM 491 C VAL A 32 4.797 5.373 -2.531 1.00 0.00 C ATOM 492 O VAL A 32 4.444 5.559 -1.363 1.00 0.00 O ATOM 493 CB VAL A 32 7.326 5.484 -2.358 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.559 4.010 -2.713 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.597 6.252 -2.757 1.00 0.00 C ATOM 0 H VAL A 32 6.409 7.826 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 32 6.163 5.757 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 32 7.141 5.611 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.446 3.647 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.694 3.421 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.703 3.913 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.453 5.840 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.758 6.156 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.481 7.305 -2.500 1.00 0.00 H new ATOM 505 N VAL A 33 4.096 4.615 -3.375 1.00 0.00 N ATOM 506 CA VAL A 33 2.763 4.035 -3.103 1.00 0.00 C ATOM 507 C VAL A 33 2.780 2.531 -3.375 1.00 0.00 C ATOM 508 O VAL A 33 3.263 2.107 -4.419 1.00 0.00 O ATOM 509 CB VAL A 33 1.690 4.723 -3.973 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.284 4.181 -3.682 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.661 6.238 -3.729 1.00 0.00 C ATOM 0 H VAL A 33 4.446 4.374 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 33 2.517 4.200 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 33 1.962 4.510 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.441 4.692 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.256 3.111 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.037 4.355 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.895 6.693 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.435 6.433 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.633 6.665 -3.976 1.00 0.00 H new ATOM 521 N GLY A 34 2.250 1.720 -2.459 1.00 0.00 N ATOM 522 CA GLY A 34 2.214 0.260 -2.557 1.00 0.00 C ATOM 523 C GLY A 34 0.835 -0.249 -2.972 1.00 0.00 C ATOM 524 O GLY A 34 -0.165 0.108 -2.348 1.00 0.00 O ATOM 0 H GLY A 34 1.821 2.071 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.957 -0.074 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.488 -0.175 -1.596 1.00 0.00 H new ATOM 528 N ILE A 35 0.772 -1.065 -4.029 1.00 0.00 N ATOM 529 CA ILE A 35 -0.460 -1.654 -4.579 1.00 0.00 C ATOM 530 C ILE A 35 -0.285 -3.169 -4.733 1.00 0.00 C ATOM 531 O ILE A 35 0.599 -3.626 -5.459 1.00 0.00 O ATOM 532 CB ILE A 35 -0.865 -0.994 -5.920 1.00 0.00 C ATOM 533 CG1 ILE A 35 -0.922 0.545 -5.775 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.214 -1.581 -6.388 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.645 1.281 -6.907 1.00 0.00 C ATOM 0 H ILE A 35 1.605 -1.345 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.274 -1.463 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.114 -1.212 -6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.415 0.787 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.097 0.926 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.504 -1.119 -7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.114 -2.658 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.978 -1.381 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.630 2.353 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.143 1.077 -7.853 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.678 0.937 -6.963 1.00 0.00 H new ATOM 547 N GLY A 36 -1.125 -3.951 -4.050 1.00 0.00 N ATOM 548 CA GLY A 36 -1.111 -5.421 -4.115 1.00 0.00 C ATOM 549 C GLY A 36 -1.468 -5.953 -5.508 1.00 0.00 C ATOM 550 O GLY A 36 -2.374 -5.439 -6.161 1.00 0.00 O ATOM 0 H GLY A 36 -1.844 -3.580 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.122 -5.784 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.816 -5.820 -3.386 1.00 0.00 H new ATOM 554 N GLU A 37 -0.800 -7.015 -5.964 1.00 0.00 N ATOM 555 CA GLU A 37 -0.931 -7.544 -7.331 1.00 0.00 C ATOM 556 C GLU A 37 -2.304 -8.192 -7.615 1.00 0.00 C ATOM 557 O GLU A 37 -2.647 -8.441 -8.772 1.00 0.00 O ATOM 558 CB GLU A 37 0.226 -8.510 -7.659 1.00 0.00 C ATOM 559 CG GLU A 37 0.286 -9.772 -6.784 1.00 0.00 C ATOM 560 CD GLU A 37 1.311 -10.784 -7.333 1.00 0.00 C ATOM 561 OE1 GLU A 37 1.007 -11.478 -8.334 1.00 0.00 O ATOM 562 OE2 GLU A 37 2.418 -10.907 -6.756 1.00 0.00 O ATOM 0 H GLU A 37 -0.143 -7.542 -5.389 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.869 -6.684 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.141 -8.813 -8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.168 -7.972 -7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.553 -9.498 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.700 -10.235 -6.742 1.00 0.00 H new ATOM 569 N ARG A 38 -3.105 -8.428 -6.563 1.00 0.00 N ATOM 570 CA ARG A 38 -4.489 -8.921 -6.609 1.00 0.00 C ATOM 571 C ARG A 38 -5.541 -7.871 -6.204 1.00 0.00 C ATOM 572 O ARG A 38 -6.715 -8.217 -6.068 1.00 0.00 O ATOM 573 CB ARG A 38 -4.632 -10.199 -5.759 1.00 0.00 C ATOM 574 CG ARG A 38 -3.762 -11.398 -6.172 1.00 0.00 C ATOM 575 CD ARG A 38 -4.007 -11.849 -7.618 1.00 0.00 C ATOM 576 NE ARG A 38 -3.406 -13.172 -7.889 1.00 0.00 N ATOM 577 CZ ARG A 38 -3.451 -13.845 -9.025 1.00 0.00 C ATOM 578 NH1 ARG A 38 -4.005 -13.355 -10.098 1.00 0.00 N ATOM 579 NH2 ARG A 38 -2.943 -15.040 -9.105 1.00 0.00 N ATOM 0 H ARG A 38 -2.786 -8.271 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.694 -9.153 -7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.399 -9.948 -4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.676 -10.510 -5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.711 -11.135 -6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.960 -12.232 -5.499 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.079 -11.891 -7.809 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.589 -11.112 -8.304 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.904 -13.612 -7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.422 -12.424 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.022 -13.902 -10.959 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.506 -15.464 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.982 -15.553 -9.986 1.00 0.00 H new ATOM 593 N SER A 39 -5.160 -6.602 -6.004 1.00 0.00 N ATOM 594 CA SER A 39 -6.096 -5.532 -5.596 1.00 0.00 C ATOM 595 C SER A 39 -7.227 -5.276 -6.606 1.00 0.00 C ATOM 596 O SER A 39 -8.295 -4.787 -6.231 1.00 0.00 O ATOM 597 CB SER A 39 -5.348 -4.214 -5.362 1.00 0.00 C ATOM 598 OG SER A 39 -5.012 -3.613 -6.602 1.00 0.00 O ATOM 0 H SER A 39 -4.198 -6.283 -6.119 1.00 0.00 H new ATOM 0 HA SER A 39 -6.552 -5.890 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.968 -3.535 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.443 -4.399 -4.783 1.00 0.00 H new ATOM 0 HG SER A 39 -4.682 -2.704 -6.446 1.00 0.00 H new ATOM 604 N ALA A 40 -6.984 -5.596 -7.885 1.00 0.00 N ATOM 605 CA ALA A 40 -7.820 -5.311 -9.055 1.00 0.00 C ATOM 606 C ALA A 40 -8.146 -3.813 -9.281 1.00 0.00 C ATOM 607 O ALA A 40 -8.986 -3.487 -10.127 1.00 0.00 O ATOM 608 CB ALA A 40 -9.054 -6.229 -9.023 1.00 0.00 C ATOM 0 H ALA A 40 -6.135 -6.098 -8.146 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.235 -5.543 -9.945 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.682 -6.024 -9.890 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.733 -7.271 -9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.622 -6.044 -8.111 1.00 0.00 H new ATOM 614 N MET A 41 -7.492 -2.891 -8.560 1.00 0.00 N ATOM 615 CA MET A 41 -7.630 -1.443 -8.758 1.00 0.00 C ATOM 616 C MET A 41 -6.703 -0.948 -9.877 1.00 0.00 C ATOM 617 O MET A 41 -5.564 -1.401 -10.016 1.00 0.00 O ATOM 618 CB MET A 41 -7.346 -0.693 -7.447 1.00 0.00 C ATOM 619 CG MET A 41 -8.408 -1.029 -6.391 1.00 0.00 C ATOM 620 SD MET A 41 -8.431 0.057 -4.938 1.00 0.00 S ATOM 621 CE MET A 41 -6.924 -0.496 -4.100 1.00 0.00 C ATOM 0 H MET A 41 -6.843 -3.135 -7.812 1.00 0.00 H new ATOM 0 HA MET A 41 -8.657 -1.238 -9.059 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.357 -0.962 -7.075 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.336 0.381 -7.631 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.389 -0.996 -6.864 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.251 -2.054 -6.055 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.863 -0.030 -3.117 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.947 -1.580 -3.987 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.054 -0.211 -4.691 1.00 0.00 H new ATOM 631 N ASP A 42 -7.189 -0.006 -10.685 1.00 0.00 N ATOM 632 CA ASP A 42 -6.451 0.571 -11.813 1.00 0.00 C ATOM 633 C ASP A 42 -5.365 1.559 -11.333 1.00 0.00 C ATOM 634 O ASP A 42 -5.635 2.715 -10.990 1.00 0.00 O ATOM 635 CB ASP A 42 -7.443 1.192 -12.809 1.00 0.00 C ATOM 636 CG ASP A 42 -6.790 1.548 -14.156 1.00 0.00 C ATOM 637 OD1 ASP A 42 -5.616 1.985 -14.167 1.00 0.00 O ATOM 638 OD2 ASP A 42 -7.456 1.392 -15.207 1.00 0.00 O ATOM 0 H ASP A 42 -8.124 0.386 -10.573 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.910 -0.217 -12.337 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.263 0.495 -12.981 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.876 2.091 -12.371 1.00 0.00 H new ATOM 643 N LYS A 43 -4.113 1.091 -11.299 1.00 0.00 N ATOM 644 CA LYS A 43 -2.918 1.872 -10.939 1.00 0.00 C ATOM 645 C LYS A 43 -2.710 3.126 -11.805 1.00 0.00 C ATOM 646 O LYS A 43 -2.316 4.175 -11.296 1.00 0.00 O ATOM 647 CB LYS A 43 -1.698 0.934 -10.971 1.00 0.00 C ATOM 648 CG LYS A 43 -1.305 0.424 -12.370 1.00 0.00 C ATOM 649 CD LYS A 43 -0.206 -0.651 -12.342 1.00 0.00 C ATOM 650 CE LYS A 43 1.158 -0.090 -11.914 1.00 0.00 C ATOM 651 NZ LYS A 43 2.208 -1.137 -11.942 1.00 0.00 N ATOM 0 H LYS A 43 -3.893 0.122 -11.530 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.059 2.266 -9.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.845 1.457 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.902 0.075 -10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.189 0.017 -12.862 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.964 1.266 -12.973 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.499 -1.447 -11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.116 -1.099 -13.331 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.440 0.728 -12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.083 0.325 -10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.136 -0.703 -11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.011 -1.846 -11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.215 -1.597 -12.875 1.00 0.00 H new ATOM 665 N SER A 44 -3.003 3.025 -13.103 1.00 0.00 N ATOM 666 CA SER A 44 -2.920 4.123 -14.078 1.00 0.00 C ATOM 667 C SER A 44 -3.978 5.196 -13.799 1.00 0.00 C ATOM 668 O SER A 44 -3.676 6.390 -13.836 1.00 0.00 O ATOM 669 CB SER A 44 -3.055 3.583 -15.508 1.00 0.00 C ATOM 670 OG SER A 44 -2.585 4.531 -16.455 1.00 0.00 O ATOM 0 H SER A 44 -3.315 2.149 -13.522 1.00 0.00 H new ATOM 0 HA SER A 44 -1.941 4.590 -13.976 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.491 2.656 -15.605 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.098 3.344 -15.714 1.00 0.00 H new ATOM 0 HG SER A 44 -2.679 4.165 -17.359 1.00 0.00 H new ATOM 676 N LEU A 45 -5.203 4.790 -13.443 1.00 0.00 N ATOM 677 CA LEU A 45 -6.248 5.690 -12.943 1.00 0.00 C ATOM 678 C LEU A 45 -5.767 6.428 -11.687 1.00 0.00 C ATOM 679 O LEU A 45 -5.867 7.651 -11.639 1.00 0.00 O ATOM 680 CB LEU A 45 -7.547 4.899 -12.699 1.00 0.00 C ATOM 681 CG LEU A 45 -8.866 5.689 -12.576 1.00 0.00 C ATOM 682 CD1 LEU A 45 -8.933 6.675 -11.409 1.00 0.00 C ATOM 683 CD2 LEU A 45 -9.221 6.430 -13.867 1.00 0.00 C ATOM 0 H LEU A 45 -5.499 3.815 -13.495 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.463 6.451 -13.693 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.661 4.185 -13.515 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.418 4.320 -11.784 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.599 4.908 -12.373 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.900 7.178 -11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.808 6.136 -10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.139 7.415 -11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.157 6.971 -13.730 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.427 7.135 -14.112 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.332 5.712 -14.680 1.00 0.00 H new ATOM 695 N PHE A 46 -5.202 5.730 -10.693 1.00 0.00 N ATOM 696 CA PHE A 46 -4.765 6.366 -9.443 1.00 0.00 C ATOM 697 C PHE A 46 -3.749 7.496 -9.664 1.00 0.00 C ATOM 698 O PHE A 46 -3.945 8.608 -9.168 1.00 0.00 O ATOM 699 CB PHE A 46 -4.189 5.345 -8.454 1.00 0.00 C ATOM 700 CG PHE A 46 -3.832 5.984 -7.122 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.868 6.476 -6.302 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.488 6.153 -6.722 1.00 0.00 C ATOM 703 CE1 PHE A 46 -4.576 7.097 -5.076 1.00 0.00 C ATOM 704 CE2 PHE A 46 -2.208 6.737 -5.472 1.00 0.00 C ATOM 705 CZ PHE A 46 -3.245 7.217 -4.656 1.00 0.00 C ATOM 0 H PHE A 46 -5.037 4.724 -10.730 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.666 6.808 -9.017 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.915 4.548 -8.291 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.300 4.884 -8.885 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.895 6.375 -6.619 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.683 5.837 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.375 7.481 -4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.184 6.817 -5.137 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.017 7.678 -3.706 1.00 0.00 H new ATOM 715 N VAL A 47 -2.680 7.245 -10.432 1.00 0.00 N ATOM 716 CA VAL A 47 -1.726 8.319 -10.764 1.00 0.00 C ATOM 717 C VAL A 47 -2.355 9.429 -11.577 1.00 0.00 C ATOM 718 O VAL A 47 -2.110 10.600 -11.311 1.00 0.00 O ATOM 719 CB VAL A 47 -0.471 7.793 -11.451 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.651 7.117 -12.808 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.607 8.874 -11.565 1.00 0.00 C ATOM 0 H VAL A 47 -2.455 6.332 -10.828 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.425 8.745 -9.807 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.160 6.994 -10.778 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.319 6.791 -13.183 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.307 6.254 -12.700 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.093 7.823 -13.511 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.486 8.461 -12.060 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.223 9.711 -12.148 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.881 9.221 -10.569 1.00 0.00 H new ATOM 731 N SER A 48 -3.214 9.076 -12.527 1.00 0.00 N ATOM 732 CA SER A 48 -3.931 10.066 -13.318 1.00 0.00 C ATOM 733 C SER A 48 -4.863 10.938 -12.452 1.00 0.00 C ATOM 734 O SER A 48 -5.023 12.128 -12.724 1.00 0.00 O ATOM 735 CB SER A 48 -4.682 9.347 -14.438 1.00 0.00 C ATOM 736 OG SER A 48 -5.292 10.256 -15.340 1.00 0.00 O ATOM 0 H SER A 48 -3.430 8.109 -12.767 1.00 0.00 H new ATOM 0 HA SER A 48 -3.215 10.760 -13.759 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.991 8.705 -14.983 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.445 8.700 -14.005 1.00 0.00 H new ATOM 0 HG SER A 48 -5.760 9.756 -16.041 1.00 0.00 H new ATOM 742 N ALA A 49 -5.402 10.399 -11.351 1.00 0.00 N ATOM 743 CA ALA A 49 -6.174 11.144 -10.354 1.00 0.00 C ATOM 744 C ALA A 49 -5.276 12.124 -9.576 1.00 0.00 C ATOM 745 O ALA A 49 -5.600 13.310 -9.475 1.00 0.00 O ATOM 746 CB ALA A 49 -6.912 10.171 -9.419 1.00 0.00 C ATOM 0 H ALA A 49 -5.310 9.409 -11.125 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.924 11.745 -10.868 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.482 10.737 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.590 9.549 -10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.187 9.537 -8.908 1.00 0.00 H new ATOM 752 N PHE A 50 -4.128 11.654 -9.067 1.00 0.00 N ATOM 753 CA PHE A 50 -3.106 12.508 -8.445 1.00 0.00 C ATOM 754 C PHE A 50 -2.657 13.655 -9.374 1.00 0.00 C ATOM 755 O PHE A 50 -2.646 14.817 -8.969 1.00 0.00 O ATOM 756 CB PHE A 50 -1.928 11.636 -7.986 1.00 0.00 C ATOM 757 CG PHE A 50 -0.759 12.413 -7.407 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.759 12.793 -6.052 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.332 12.758 -8.229 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.324 13.521 -5.522 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.406 13.499 -7.704 1.00 0.00 C ATOM 762 CZ PHE A 50 1.404 13.879 -6.350 1.00 0.00 C ATOM 0 H PHE A 50 -3.881 10.664 -9.075 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.542 12.995 -7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.285 10.930 -7.237 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.574 11.050 -8.834 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.591 12.526 -5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.344 12.453 -9.265 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.326 13.805 -4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.233 13.776 -8.341 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.230 14.445 -5.946 1.00 0.00 H new ATOM 772 N GLU A 51 -2.348 13.352 -10.638 1.00 0.00 N ATOM 773 CA GLU A 51 -1.997 14.330 -11.677 1.00 0.00 C ATOM 774 C GLU A 51 -3.132 15.326 -11.960 1.00 0.00 C ATOM 775 O GLU A 51 -2.881 16.516 -12.122 1.00 0.00 O ATOM 776 CB GLU A 51 -1.645 13.609 -12.988 1.00 0.00 C ATOM 777 CG GLU A 51 -0.330 12.829 -12.933 1.00 0.00 C ATOM 778 CD GLU A 51 0.889 13.761 -13.083 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.311 14.382 -12.079 1.00 0.00 O ATOM 780 OE2 GLU A 51 1.423 13.884 -14.212 1.00 0.00 O ATOM 0 H GLU A 51 -2.334 12.391 -10.979 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.140 14.887 -11.299 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.453 12.923 -13.242 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.587 14.344 -13.791 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.264 12.292 -11.987 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.317 12.081 -13.726 1.00 0.00 H new ATOM 787 N THR A 52 -4.383 14.865 -12.005 1.00 0.00 N ATOM 788 CA THR A 52 -5.569 15.722 -12.201 1.00 0.00 C ATOM 789 C THR A 52 -5.710 16.759 -11.079 1.00 0.00 C ATOM 790 O THR A 52 -5.867 17.950 -11.351 1.00 0.00 O ATOM 791 CB THR A 52 -6.854 14.883 -12.325 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.795 14.086 -13.489 1.00 0.00 O ATOM 793 CG2 THR A 52 -8.118 15.731 -12.457 1.00 0.00 C ATOM 0 H THR A 52 -4.611 13.876 -11.906 1.00 0.00 H new ATOM 0 HA THR A 52 -5.422 16.260 -13.138 1.00 0.00 H new ATOM 0 HB THR A 52 -6.908 14.293 -11.410 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.180 13.337 -13.342 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.987 15.078 -12.540 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.224 16.366 -11.577 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.046 16.355 -13.348 1.00 0.00 H new ATOM 801 N PHE A 53 -5.634 16.330 -9.816 1.00 0.00 N ATOM 802 CA PHE A 53 -5.810 17.197 -8.643 1.00 0.00 C ATOM 803 C PHE A 53 -4.545 17.965 -8.213 1.00 0.00 C ATOM 804 O PHE A 53 -4.605 18.714 -7.234 1.00 0.00 O ATOM 805 CB PHE A 53 -6.416 16.381 -7.489 1.00 0.00 C ATOM 806 CG PHE A 53 -7.884 16.047 -7.679 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.844 17.078 -7.718 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.299 14.709 -7.802 1.00 0.00 C ATOM 809 CE1 PHE A 53 -10.204 16.774 -7.903 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.659 14.406 -7.990 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.612 15.436 -8.043 1.00 0.00 C ATOM 0 H PHE A 53 -5.446 15.357 -9.574 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.503 17.986 -8.936 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.854 15.454 -7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.297 16.939 -6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.533 18.106 -7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.571 13.912 -7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.935 17.568 -7.938 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.972 13.378 -8.094 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.656 15.201 -8.191 1.00 0.00 H new ATOM 821 N ARG A 54 -3.417 17.854 -8.938 1.00 0.00 N ATOM 822 CA ARG A 54 -2.144 18.545 -8.626 1.00 0.00 C ATOM 823 C ARG A 54 -2.309 20.050 -8.406 1.00 0.00 C ATOM 824 O ARG A 54 -1.601 20.647 -7.603 1.00 0.00 O ATOM 825 CB ARG A 54 -1.091 18.246 -9.716 1.00 0.00 C ATOM 826 CG ARG A 54 -1.331 18.993 -11.044 1.00 0.00 C ATOM 827 CD ARG A 54 -0.380 18.525 -12.153 1.00 0.00 C ATOM 828 NE ARG A 54 -0.726 19.155 -13.442 1.00 0.00 N ATOM 829 CZ ARG A 54 -0.010 19.167 -14.552 1.00 0.00 C ATOM 830 NH1 ARG A 54 1.166 18.610 -14.626 1.00 0.00 N ATOM 831 NH2 ARG A 54 -0.469 19.746 -15.624 1.00 0.00 N ATOM 0 H ARG A 54 -3.359 17.272 -9.773 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.792 18.146 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.104 18.511 -9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.080 17.174 -9.911 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.362 18.840 -11.363 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.202 20.064 -10.885 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.647 18.774 -11.886 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.431 17.440 -12.248 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.624 19.638 -13.480 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.562 18.145 -13.809 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.690 18.639 -15.501 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.386 20.193 -15.609 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.088 19.752 -16.478 1.00 0.00 H new ATOM 845 N GLU A 55 -3.277 20.645 -9.102 1.00 0.00 N ATOM 846 CA GLU A 55 -3.623 22.071 -9.070 1.00 0.00 C ATOM 847 C GLU A 55 -4.047 22.587 -7.680 1.00 0.00 C ATOM 848 O GLU A 55 -3.998 23.791 -7.426 1.00 0.00 O ATOM 849 CB GLU A 55 -4.734 22.359 -10.096 1.00 0.00 C ATOM 850 CG GLU A 55 -4.433 21.779 -11.486 1.00 0.00 C ATOM 851 CD GLU A 55 -5.286 22.463 -12.573 1.00 0.00 C ATOM 852 OE1 GLU A 55 -6.499 22.160 -12.686 1.00 0.00 O ATOM 853 OE2 GLU A 55 -4.746 23.310 -13.326 1.00 0.00 O ATOM 0 H GLU A 55 -3.875 20.119 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.711 22.610 -9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.674 21.945 -9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.872 23.437 -10.180 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.375 21.908 -11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.631 20.707 -11.486 1.00 0.00 H new ATOM 860 N GLU A 56 -4.440 21.693 -6.767 1.00 0.00 N ATOM 861 CA GLU A 56 -4.811 22.016 -5.382 1.00 0.00 C ATOM 862 C GLU A 56 -3.616 22.471 -4.512 1.00 0.00 C ATOM 863 O GLU A 56 -3.814 23.228 -3.557 1.00 0.00 O ATOM 864 CB GLU A 56 -5.523 20.791 -4.781 1.00 0.00 C ATOM 865 CG GLU A 56 -6.157 21.053 -3.410 1.00 0.00 C ATOM 866 CD GLU A 56 -7.168 19.948 -3.044 1.00 0.00 C ATOM 867 OE1 GLU A 56 -6.753 18.854 -2.592 1.00 0.00 O ATOM 868 OE2 GLU A 56 -8.394 20.177 -3.197 1.00 0.00 O ATOM 0 H GLU A 56 -4.511 20.697 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.481 22.876 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.298 20.458 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.806 19.975 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.378 21.103 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.658 22.021 -3.417 1.00 0.00 H new ATOM 875 N SER A 57 -2.383 22.073 -4.860 1.00 0.00 N ATOM 876 CA SER A 57 -1.157 22.322 -4.078 1.00 0.00 C ATOM 877 C SER A 57 0.027 22.699 -4.973 1.00 0.00 C ATOM 878 O SER A 57 0.474 21.900 -5.797 1.00 0.00 O ATOM 879 CB SER A 57 -0.788 21.078 -3.256 1.00 0.00 C ATOM 880 OG SER A 57 -1.761 20.801 -2.264 1.00 0.00 O ATOM 0 H SER A 57 -2.203 21.553 -5.719 1.00 0.00 H new ATOM 0 HA SER A 57 -1.366 23.161 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.689 20.219 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.182 21.229 -2.783 1.00 0.00 H new ATOM 0 HG SER A 57 -1.497 20.003 -1.760 1.00 0.00 H new ATOM 886 N LEU A 58 0.594 23.898 -4.791 1.00 0.00 N ATOM 887 CA LEU A 58 1.711 24.430 -5.591 1.00 0.00 C ATOM 888 C LEU A 58 2.953 23.521 -5.610 1.00 0.00 C ATOM 889 O LEU A 58 3.675 23.488 -6.605 1.00 0.00 O ATOM 890 CB LEU A 58 2.045 25.865 -5.121 1.00 0.00 C ATOM 891 CG LEU A 58 1.487 26.922 -6.092 1.00 0.00 C ATOM 892 CD1 LEU A 58 1.401 28.296 -5.433 1.00 0.00 C ATOM 893 CD2 LEU A 58 2.379 27.057 -7.330 1.00 0.00 C ATOM 0 H LEU A 58 0.283 24.544 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 58 1.382 24.460 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.631 26.029 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.126 25.980 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 58 0.491 26.583 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.003 29.018 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.743 28.243 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.395 28.610 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.962 27.810 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.381 27.358 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.430 26.099 -7.848 1.00 0.00 H new ATOM 905 N VAL A 59 3.166 22.735 -4.549 1.00 0.00 N ATOM 906 CA VAL A 59 4.282 21.780 -4.440 1.00 0.00 C ATOM 907 C VAL A 59 4.046 20.469 -5.213 1.00 0.00 C ATOM 908 O VAL A 59 5.002 19.762 -5.528 1.00 0.00 O ATOM 909 CB VAL A 59 4.654 21.497 -2.965 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.676 22.772 -2.111 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.725 20.510 -2.256 1.00 0.00 C ATOM 0 H VAL A 59 2.561 22.742 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 59 5.131 22.269 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 59 5.648 21.057 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.942 22.518 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.411 23.468 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.690 23.237 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.059 20.370 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.708 20.903 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.745 19.553 -2.777 1.00 0.00 H new ATOM 921 N CYS A 60 2.786 20.139 -5.530 1.00 0.00 N ATOM 922 CA CYS A 60 2.366 18.905 -6.210 1.00 0.00 C ATOM 923 C CYS A 60 2.355 19.013 -7.743 1.00 0.00 C ATOM 924 O CYS A 60 2.409 17.989 -8.427 1.00 0.00 O ATOM 925 CB CYS A 60 0.973 18.509 -5.707 1.00 0.00 C ATOM 926 SG CYS A 60 1.099 17.898 -4.003 1.00 0.00 S ATOM 0 H CYS A 60 1.999 20.750 -5.311 1.00 0.00 H new ATOM 0 HA CYS A 60 3.105 18.141 -5.967 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.302 19.367 -5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.547 17.739 -6.351 1.00 0.00 H new ATOM 0 HG CYS A 60 0.874 16.618 -3.983 1.00 0.00 H new ATOM 932 N LYS A 61 2.332 20.233 -8.294 1.00 0.00 N ATOM 933 CA LYS A 61 2.464 20.499 -9.744 1.00 0.00 C ATOM 934 C LYS A 61 3.824 20.085 -10.338 1.00 0.00 C ATOM 935 O LYS A 61 3.966 20.026 -11.558 1.00 0.00 O ATOM 936 CB LYS A 61 2.158 21.985 -10.005 1.00 0.00 C ATOM 937 CG LYS A 61 0.640 22.247 -9.978 1.00 0.00 C ATOM 938 CD LYS A 61 0.245 23.524 -9.227 1.00 0.00 C ATOM 939 CE LYS A 61 0.906 24.819 -9.732 1.00 0.00 C ATOM 940 NZ LYS A 61 0.473 25.183 -11.110 1.00 0.00 N ATOM 0 H LYS A 61 2.219 21.082 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 61 1.740 19.870 -10.261 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.651 22.600 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.565 22.280 -10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.274 22.311 -11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.142 21.395 -9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.837 23.641 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.493 23.397 -8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.664 25.635 -9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.989 24.700 -9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.947 26.062 -11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.727 24.418 -11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.557 25.324 -11.124 1.00 0.00 H new ATOM 954 N ASP A 62 4.800 19.759 -9.490 1.00 0.00 N ATOM 955 CA ASP A 62 6.134 19.257 -9.835 1.00 0.00 C ATOM 956 C ASP A 62 6.495 18.048 -8.942 1.00 0.00 C ATOM 957 O ASP A 62 7.266 18.165 -7.987 1.00 0.00 O ATOM 958 CB ASP A 62 7.126 20.429 -9.730 1.00 0.00 C ATOM 959 CG ASP A 62 8.573 20.065 -10.096 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.796 19.145 -10.921 1.00 0.00 O ATOM 961 OD2 ASP A 62 9.489 20.765 -9.599 1.00 0.00 O ATOM 0 H ASP A 62 4.674 19.843 -8.481 1.00 0.00 H new ATOM 0 HA ASP A 62 6.171 18.883 -10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.790 21.234 -10.383 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.107 20.816 -8.711 1.00 0.00 H new ATOM 966 N ALA A 63 5.876 16.896 -9.223 1.00 0.00 N ATOM 967 CA ALA A 63 6.010 15.640 -8.471 1.00 0.00 C ATOM 968 C ALA A 63 5.846 14.390 -9.368 1.00 0.00 C ATOM 969 O ALA A 63 5.415 14.488 -10.520 1.00 0.00 O ATOM 970 CB ALA A 63 4.956 15.645 -7.353 1.00 0.00 C ATOM 0 H ALA A 63 5.240 16.808 -10.015 1.00 0.00 H new ATOM 0 HA ALA A 63 7.017 15.583 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.032 14.723 -6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.126 16.498 -6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.961 15.718 -7.792 1.00 0.00 H new ATOM 976 N ILE A 64 6.145 13.207 -8.816 1.00 0.00 N ATOM 977 CA ILE A 64 5.980 11.871 -9.427 1.00 0.00 C ATOM 978 C ILE A 64 5.342 10.913 -8.402 1.00 0.00 C ATOM 979 O ILE A 64 5.593 11.034 -7.203 1.00 0.00 O ATOM 980 CB ILE A 64 7.361 11.342 -9.909 1.00 0.00 C ATOM 981 CG1 ILE A 64 8.025 12.215 -10.997 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.324 9.870 -10.368 1.00 0.00 C ATOM 983 CD1 ILE A 64 7.300 12.212 -12.344 1.00 0.00 C ATOM 0 H ILE A 64 6.532 13.148 -7.874 1.00 0.00 H new ATOM 0 HA ILE A 64 5.321 11.936 -10.292 1.00 0.00 H new ATOM 0 HB ILE A 64 7.983 11.405 -9.016 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.086 13.241 -10.634 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.047 11.869 -11.148 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.319 9.565 -10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.002 9.239 -9.540 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.625 9.765 -11.198 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.835 12.850 -13.047 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.262 11.195 -12.734 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.286 12.588 -12.212 1.00 0.00 H new ATOM 995 N LEU A 65 4.561 9.930 -8.861 1.00 0.00 N ATOM 996 CA LEU A 65 3.941 8.885 -8.036 1.00 0.00 C ATOM 997 C LEU A 65 4.548 7.513 -8.385 1.00 0.00 C ATOM 998 O LEU A 65 4.282 6.948 -9.447 1.00 0.00 O ATOM 999 CB LEU A 65 2.417 8.986 -8.205 1.00 0.00 C ATOM 1000 CG LEU A 65 1.577 8.250 -7.142 1.00 0.00 C ATOM 1001 CD1 LEU A 65 0.229 8.954 -7.002 1.00 0.00 C ATOM 1002 CD2 LEU A 65 1.338 6.785 -7.490 1.00 0.00 C ATOM 0 H LEU A 65 4.335 9.836 -9.851 1.00 0.00 H new ATOM 0 HA LEU A 65 4.148 9.019 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.138 10.040 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.152 8.594 -9.187 1.00 0.00 H new ATOM 0 HG LEU A 65 2.137 8.276 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.373 8.441 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.388 9.987 -6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.292 8.937 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.742 6.318 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.806 6.719 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.295 6.270 -7.573 1.00 0.00 H new ATOM 1014 N ASP A 66 5.427 7.013 -7.518 1.00 0.00 N ATOM 1015 CA ASP A 66 6.192 5.773 -7.685 1.00 0.00 C ATOM 1016 C ASP A 66 5.394 4.548 -7.200 1.00 0.00 C ATOM 1017 O ASP A 66 5.408 4.193 -6.018 1.00 0.00 O ATOM 1018 CB ASP A 66 7.546 5.908 -6.969 1.00 0.00 C ATOM 1019 CG ASP A 66 8.464 4.686 -7.180 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.344 3.996 -8.220 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.343 4.444 -6.321 1.00 0.00 O ATOM 0 H ASP A 66 5.637 7.482 -6.637 1.00 0.00 H new ATOM 0 HA ASP A 66 6.381 5.609 -8.746 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.053 6.803 -7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.374 6.046 -5.902 1.00 0.00 H new ATOM 1026 N ILE A 67 4.648 3.933 -8.119 1.00 0.00 N ATOM 1027 CA ILE A 67 3.770 2.781 -7.872 1.00 0.00 C ATOM 1028 C ILE A 67 4.589 1.482 -7.722 1.00 0.00 C ATOM 1029 O ILE A 67 5.022 0.882 -8.710 1.00 0.00 O ATOM 1030 CB ILE A 67 2.694 2.637 -8.977 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.967 3.961 -9.314 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.664 1.601 -8.489 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.194 3.930 -10.636 1.00 0.00 C ATOM 0 H ILE A 67 4.636 4.233 -9.094 1.00 0.00 H new ATOM 0 HA ILE A 67 3.250 2.962 -6.931 1.00 0.00 H new ATOM 0 HB ILE A 67 3.195 2.326 -9.894 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.275 4.199 -8.506 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.701 4.766 -9.353 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.889 1.474 -9.245 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.162 0.647 -8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.211 1.948 -7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.713 4.895 -10.799 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.883 3.725 -11.455 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.435 3.149 -10.595 1.00 0.00 H new ATOM 1045 N VAL A 68 4.792 1.038 -6.482 1.00 0.00 N ATOM 1046 CA VAL A 68 5.354 -0.269 -6.107 1.00 0.00 C ATOM 1047 C VAL A 68 4.284 -1.358 -6.224 1.00 0.00 C ATOM 1048 O VAL A 68 3.281 -1.352 -5.509 1.00 0.00 O ATOM 1049 CB VAL A 68 5.928 -0.234 -4.677 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.473 -1.598 -4.229 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.081 0.773 -4.598 1.00 0.00 C ATOM 0 H VAL A 68 4.559 1.605 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 68 6.169 -0.499 -6.793 1.00 0.00 H new ATOM 0 HB VAL A 68 5.105 0.051 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.865 -1.518 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.670 -2.335 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.271 -1.910 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.480 0.791 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.868 0.480 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.716 1.766 -4.861 1.00 0.00 H new ATOM 1061 N ASP A 69 4.513 -2.309 -7.125 1.00 0.00 N ATOM 1062 CA ASP A 69 3.731 -3.545 -7.249 1.00 0.00 C ATOM 1063 C ASP A 69 4.095 -4.524 -6.113 1.00 0.00 C ATOM 1064 O ASP A 69 5.178 -5.114 -6.108 1.00 0.00 O ATOM 1065 CB ASP A 69 3.965 -4.188 -8.625 1.00 0.00 C ATOM 1066 CG ASP A 69 3.493 -3.288 -9.776 1.00 0.00 C ATOM 1067 OD1 ASP A 69 2.265 -3.107 -9.955 1.00 0.00 O ATOM 1068 OD2 ASP A 69 4.343 -2.758 -10.529 1.00 0.00 O ATOM 0 H ASP A 69 5.267 -2.244 -7.809 1.00 0.00 H new ATOM 0 HA ASP A 69 2.672 -3.303 -7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.026 -4.404 -8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.438 -5.141 -8.673 1.00 0.00 H new ATOM 1073 N GLU A 70 3.220 -4.667 -5.117 1.00 0.00 N ATOM 1074 CA GLU A 70 3.425 -5.546 -3.958 1.00 0.00 C ATOM 1075 C GLU A 70 2.958 -6.988 -4.218 1.00 0.00 C ATOM 1076 O GLU A 70 1.968 -7.228 -4.916 1.00 0.00 O ATOM 1077 CB GLU A 70 2.666 -5.012 -2.730 1.00 0.00 C ATOM 1078 CG GLU A 70 3.333 -3.802 -2.069 1.00 0.00 C ATOM 1079 CD GLU A 70 2.667 -3.525 -0.707 1.00 0.00 C ATOM 1080 OE1 GLU A 70 2.883 -4.318 0.242 1.00 0.00 O ATOM 1081 OE2 GLU A 70 1.918 -2.527 -0.588 1.00 0.00 O ATOM 0 H GLU A 70 2.331 -4.167 -5.090 1.00 0.00 H new ATOM 0 HA GLU A 70 4.499 -5.555 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.655 -4.738 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.575 -5.812 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.398 -3.990 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.244 -2.928 -2.714 1.00 0.00 H new ATOM 1088 N LYS A 71 3.623 -7.950 -3.566 1.00 0.00 N ATOM 1089 CA LYS A 71 3.182 -9.350 -3.466 1.00 0.00 C ATOM 1090 C LYS A 71 1.888 -9.469 -2.651 1.00 0.00 C ATOM 1091 O LYS A 71 1.534 -8.564 -1.889 1.00 0.00 O ATOM 1092 CB LYS A 71 4.299 -10.206 -2.835 1.00 0.00 C ATOM 1093 CG LYS A 71 5.651 -10.172 -3.574 1.00 0.00 C ATOM 1094 CD LYS A 71 5.556 -10.633 -5.036 1.00 0.00 C ATOM 1095 CE LYS A 71 6.951 -10.681 -5.667 1.00 0.00 C ATOM 1096 NZ LYS A 71 6.891 -11.125 -7.084 1.00 0.00 N ATOM 0 H LYS A 71 4.503 -7.774 -3.082 1.00 0.00 H new ATOM 0 HA LYS A 71 2.974 -9.717 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.455 -9.871 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.957 -11.240 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.047 -9.157 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.362 -10.807 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.093 -11.618 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.917 -9.952 -5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.411 -9.694 -5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.586 -11.360 -5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.852 -11.147 -7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.475 -12.077 -7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.305 -10.463 -7.631 1.00 0.00 H new ATOM 1110 N VAL A 72 1.216 -10.614 -2.763 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.003 -10.968 -2.015 1.00 0.00 C ATOM 1112 C VAL A 72 0.158 -12.354 -1.387 1.00 0.00 C ATOM 1113 O VAL A 72 0.747 -13.251 -1.991 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.237 -10.899 -2.935 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -2.529 -11.348 -2.246 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.487 -9.465 -3.421 1.00 0.00 C ATOM 0 H VAL A 72 1.512 -11.353 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.156 -10.249 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.005 -11.573 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.360 -11.275 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.424 -12.381 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.724 -10.708 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.364 -9.448 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.656 -8.814 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.618 -9.113 -3.978 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.370 -12.536 -0.176 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.233 -13.773 0.608 1.00 0.00 C ATOM 1128 C GLU A 73 -1.517 -14.103 1.386 1.00 0.00 C ATOM 1129 O GLU A 73 -2.178 -13.210 1.926 1.00 0.00 O ATOM 1130 CB GLU A 73 0.969 -13.621 1.555 1.00 0.00 C ATOM 1131 CG GLU A 73 1.505 -14.951 2.092 1.00 0.00 C ATOM 1132 CD GLU A 73 2.858 -14.728 2.796 1.00 0.00 C ATOM 1133 OE1 GLU A 73 2.885 -14.135 3.901 1.00 0.00 O ATOM 1134 OE2 GLU A 73 3.908 -15.132 2.240 1.00 0.00 O ATOM 0 H GLU A 73 -0.915 -11.817 0.300 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.064 -14.609 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.771 -13.103 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.680 -12.991 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.790 -15.386 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.624 -15.662 1.274 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.853 -15.394 1.453 1.00 0.00 N ATOM 1142 CA LEU A 74 -3.042 -15.964 2.086 1.00 0.00 C ATOM 1143 C LEU A 74 -2.652 -16.848 3.283 1.00 0.00 C ATOM 1144 O LEU A 74 -2.176 -17.970 3.095 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.860 -16.783 1.064 1.00 0.00 C ATOM 1146 CG LEU A 74 -4.312 -16.070 -0.222 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -5.287 -16.975 -0.975 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -5.021 -14.747 0.040 1.00 0.00 C ATOM 0 H LEU A 74 -1.262 -16.115 1.039 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.659 -15.142 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.266 -17.650 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.749 -17.159 1.570 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.410 -15.861 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.613 -16.478 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.792 -17.912 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.152 -17.181 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.313 -14.297 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.909 -14.924 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.348 -14.072 0.570 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.833 -16.361 4.513 1.00 0.00 N ATOM 1161 CA GLU A 75 -2.754 -17.204 5.714 1.00 0.00 C ATOM 1162 C GLU A 75 -4.051 -17.988 5.960 1.00 0.00 C ATOM 1163 O GLU A 75 -5.147 -17.524 5.635 1.00 0.00 O ATOM 1164 CB GLU A 75 -2.361 -16.382 6.958 1.00 0.00 C ATOM 1165 CG GLU A 75 -3.452 -15.454 7.511 1.00 0.00 C ATOM 1166 CD GLU A 75 -2.967 -14.693 8.763 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -1.923 -13.999 8.696 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -3.633 -14.767 9.825 1.00 0.00 O ATOM 0 H GLU A 75 -3.037 -15.380 4.706 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.966 -17.934 5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.061 -17.071 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.487 -15.779 6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.748 -14.740 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.337 -16.039 7.760 1.00 0.00 H new ATOM 1175 N CYS A 76 -3.929 -19.155 6.591 1.00 0.00 N ATOM 1176 CA CYS A 76 -5.060 -19.886 7.152 1.00 0.00 C ATOM 1177 C CYS A 76 -5.500 -19.291 8.510 1.00 0.00 C ATOM 1178 O CYS A 76 -4.704 -18.705 9.252 1.00 0.00 O ATOM 1179 CB CYS A 76 -4.623 -21.342 7.301 1.00 0.00 C ATOM 1180 SG CYS A 76 -6.060 -22.457 7.342 1.00 0.00 S ATOM 0 H CYS A 76 -3.033 -19.623 6.727 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.925 -19.811 6.494 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.970 -21.616 6.472 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.042 -21.459 8.216 1.00 0.00 H new ATOM 1185 N LYS A 77 -6.778 -19.487 8.846 1.00 0.00 N ATOM 1186 CA LYS A 77 -7.444 -19.040 10.085 1.00 0.00 C ATOM 1187 C LYS A 77 -6.868 -19.649 11.370 1.00 0.00 C ATOM 1188 O LYS A 77 -6.399 -18.922 12.245 1.00 0.00 O ATOM 1189 CB LYS A 77 -8.955 -19.335 9.988 1.00 0.00 C ATOM 1190 CG LYS A 77 -9.713 -18.347 9.085 1.00 0.00 C ATOM 1191 CD LYS A 77 -9.867 -16.939 9.680 1.00 0.00 C ATOM 1192 CE LYS A 77 -10.756 -16.914 10.922 1.00 0.00 C ATOM 1193 NZ LYS A 77 -10.967 -15.529 11.423 1.00 0.00 N ATOM 0 H LYS A 77 -7.417 -19.990 8.230 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.260 -17.968 10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.097 -20.346 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.388 -19.308 10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.191 -18.271 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.704 -18.751 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.882 -16.548 9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.287 -16.275 8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.720 -17.367 10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.301 -17.519 11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.575 -15.554 12.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.050 -15.106 11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.424 -14.958 10.683 1.00 0.00 H new ATOM 1207 N ASP A 78 -6.957 -20.971 11.505 1.00 0.00 N ATOM 1208 CA ASP A 78 -6.682 -21.732 12.738 1.00 0.00 C ATOM 1209 C ASP A 78 -5.698 -22.889 12.473 1.00 0.00 C ATOM 1210 O ASP A 78 -6.005 -24.072 12.658 1.00 0.00 O ATOM 1211 CB ASP A 78 -8.020 -22.176 13.359 1.00 0.00 C ATOM 1212 CG ASP A 78 -7.853 -22.857 14.731 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -7.013 -22.402 15.546 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -8.601 -23.821 15.025 1.00 0.00 O ATOM 0 H ASP A 78 -7.234 -21.573 10.730 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.178 -21.100 13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.669 -21.307 13.468 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.520 -22.864 12.677 1.00 0.00 H new ATOM 1219 N CYS A 79 -4.519 -22.516 11.968 1.00 0.00 N ATOM 1220 CA CYS A 79 -3.526 -23.378 11.326 1.00 0.00 C ATOM 1221 C CYS A 79 -2.085 -22.953 11.696 1.00 0.00 C ATOM 1222 O CYS A 79 -1.848 -22.318 12.728 1.00 0.00 O ATOM 1223 CB CYS A 79 -3.801 -23.269 9.820 1.00 0.00 C ATOM 1224 SG CYS A 79 -3.830 -24.853 8.940 1.00 0.00 S ATOM 0 H CYS A 79 -4.215 -21.543 11.999 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.607 -24.412 11.662 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -4.759 -22.770 9.674 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.039 -22.633 9.370 1.00 0.00 H new ATOM 1229 N SER A 80 -1.118 -23.300 10.839 1.00 0.00 N ATOM 1230 CA SER A 80 0.297 -22.897 10.957 1.00 0.00 C ATOM 1231 C SER A 80 0.983 -22.741 9.582 1.00 0.00 C ATOM 1232 O SER A 80 2.176 -23.014 9.423 1.00 0.00 O ATOM 1233 CB SER A 80 1.034 -23.885 11.879 1.00 0.00 C ATOM 1234 OG SER A 80 2.171 -23.290 12.487 1.00 0.00 O ATOM 0 H SER A 80 -1.297 -23.884 10.022 1.00 0.00 H new ATOM 0 HA SER A 80 0.341 -21.906 11.409 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.352 -24.239 12.652 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.344 -24.757 11.304 1.00 0.00 H new ATOM 0 HG SER A 80 2.613 -23.946 13.066 1.00 0.00 H new ATOM 1240 N HIS A 81 0.216 -22.360 8.553 1.00 0.00 N ATOM 1241 CA HIS A 81 0.655 -22.309 7.154 1.00 0.00 C ATOM 1242 C HIS A 81 0.036 -21.127 6.379 1.00 0.00 C ATOM 1243 O HIS A 81 -1.098 -20.714 6.649 1.00 0.00 O ATOM 1244 CB HIS A 81 0.293 -23.656 6.506 1.00 0.00 C ATOM 1245 CG HIS A 81 0.627 -23.720 5.042 1.00 0.00 C ATOM 1246 ND1 HIS A 81 1.887 -23.849 4.500 1.00 0.00 N ATOM 1247 CD2 HIS A 81 -0.260 -23.553 4.014 1.00 0.00 C ATOM 1248 CE1 HIS A 81 1.766 -23.756 3.165 1.00 0.00 C ATOM 1249 NE2 HIS A 81 0.478 -23.572 2.828 1.00 0.00 N ATOM 0 H HIS A 81 -0.754 -22.071 8.675 1.00 0.00 H new ATOM 0 HA HIS A 81 1.732 -22.143 7.120 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.820 -24.455 7.027 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.774 -23.839 6.637 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.329 -23.430 4.103 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.585 -23.820 2.464 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.109 -23.466 1.883 1.00 0.00 H new ATOM 1257 N VAL A 82 0.774 -20.606 5.389 1.00 0.00 N ATOM 1258 CA VAL A 82 0.346 -19.579 4.425 1.00 0.00 C ATOM 1259 C VAL A 82 0.870 -19.906 3.012 1.00 0.00 C ATOM 1260 O VAL A 82 1.931 -20.521 2.872 1.00 0.00 O ATOM 1261 CB VAL A 82 0.780 -18.159 4.875 1.00 0.00 C ATOM 1262 CG1 VAL A 82 0.740 -17.924 6.395 1.00 0.00 C ATOM 1263 CG2 VAL A 82 2.178 -17.734 4.423 1.00 0.00 C ATOM 0 H VAL A 82 1.736 -20.904 5.229 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.743 -19.586 4.391 1.00 0.00 H new ATOM 0 HB VAL A 82 0.023 -17.556 4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.059 -16.905 6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.277 -18.072 6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.409 -18.628 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.388 -16.728 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.917 -18.427 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.227 -17.744 3.334 1.00 0.00 H new ATOM 1273 N PHE A 83 0.174 -19.456 1.963 1.00 0.00 N ATOM 1274 CA PHE A 83 0.562 -19.623 0.547 1.00 0.00 C ATOM 1275 C PHE A 83 0.181 -18.394 -0.308 1.00 0.00 C ATOM 1276 O PHE A 83 -0.375 -17.426 0.211 1.00 0.00 O ATOM 1277 CB PHE A 83 -0.027 -20.942 0.004 1.00 0.00 C ATOM 1278 CG PHE A 83 -1.543 -21.046 0.042 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -2.318 -20.481 -0.988 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -2.185 -21.712 1.102 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -3.721 -20.551 -0.950 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -3.587 -21.758 1.157 1.00 0.00 C ATOM 1283 CZ PHE A 83 -4.359 -21.186 0.129 1.00 0.00 C ATOM 0 H PHE A 83 -0.704 -18.948 2.073 1.00 0.00 H new ATOM 0 HA PHE A 83 1.648 -19.689 0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.303 -21.070 -1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.391 -21.770 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.830 -19.989 -1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.599 -22.188 1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.307 -20.118 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.076 -22.235 1.993 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.437 -21.235 0.169 1.00 0.00 H new ATOM 1293 N LYS A 84 0.472 -18.403 -1.619 1.00 0.00 N ATOM 1294 CA LYS A 84 0.148 -17.305 -2.562 1.00 0.00 C ATOM 1295 C LYS A 84 -1.059 -17.642 -3.460 1.00 0.00 C ATOM 1296 O LYS A 84 -1.213 -18.803 -3.846 1.00 0.00 O ATOM 1297 CB LYS A 84 1.411 -16.887 -3.348 1.00 0.00 C ATOM 1298 CG LYS A 84 1.957 -17.880 -4.383 1.00 0.00 C ATOM 1299 CD LYS A 84 1.367 -17.645 -5.783 1.00 0.00 C ATOM 1300 CE LYS A 84 2.036 -18.570 -6.797 1.00 0.00 C ATOM 1301 NZ LYS A 84 3.368 -18.071 -7.238 1.00 0.00 N ATOM 0 H LYS A 84 0.948 -19.186 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.171 -16.436 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.194 -15.950 -3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.203 -16.680 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.043 -17.793 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.732 -18.897 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.292 -17.826 -5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.511 -16.605 -6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.151 -19.561 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.387 -18.679 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.778 -18.736 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.259 -17.137 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.999 -17.991 -6.415 1.00 0.00 H new ATOM 1315 N PRO A 85 -1.912 -16.664 -3.820 1.00 0.00 N ATOM 1316 CA PRO A 85 -3.158 -16.915 -4.552 1.00 0.00 C ATOM 1317 C PRO A 85 -2.925 -17.349 -6.009 1.00 0.00 C ATOM 1318 O PRO A 85 -2.331 -16.611 -6.800 1.00 0.00 O ATOM 1319 CB PRO A 85 -3.951 -15.608 -4.467 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.880 -14.538 -4.277 1.00 0.00 C ATOM 1321 CD PRO A 85 -1.800 -15.252 -3.473 1.00 0.00 C ATOM 0 HA PRO A 85 -3.701 -17.750 -4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.532 -15.434 -5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.654 -15.621 -3.634 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.497 -14.179 -5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.270 -13.671 -3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.811 -14.866 -3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.944 -15.100 -2.403 1.00 0.00 H new ATOM 1329 N ASN A 86 -3.425 -18.535 -6.370 1.00 0.00 N ATOM 1330 CA ASN A 86 -3.396 -19.093 -7.729 1.00 0.00 C ATOM 1331 C ASN A 86 -4.725 -19.797 -8.086 1.00 0.00 C ATOM 1332 O ASN A 86 -5.471 -19.304 -8.934 1.00 0.00 O ATOM 1333 CB ASN A 86 -2.162 -20.005 -7.862 1.00 0.00 C ATOM 1334 CG ASN A 86 -2.043 -20.605 -9.255 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -2.509 -21.702 -9.526 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -1.436 -19.903 -10.185 1.00 0.00 N ATOM 0 H ASN A 86 -3.878 -19.157 -5.700 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.302 -18.290 -8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.262 -19.433 -7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.223 -20.807 -7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.354 -20.274 -11.132 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.047 -18.987 -9.960 1.00 0.00 H new ATOM 1343 N ALA A 87 -5.032 -20.931 -7.445 1.00 0.00 N ATOM 1344 CA ALA A 87 -6.300 -21.655 -7.601 1.00 0.00 C ATOM 1345 C ALA A 87 -7.495 -20.926 -6.943 1.00 0.00 C ATOM 1346 O ALA A 87 -7.320 -20.022 -6.120 1.00 0.00 O ATOM 1347 CB ALA A 87 -6.123 -23.065 -7.018 1.00 0.00 C ATOM 0 H ALA A 87 -4.393 -21.381 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.540 -21.709 -8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -7.054 -23.622 -7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.328 -23.583 -7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.861 -22.992 -5.962 1.00 0.00 H new ATOM 1353 N LEU A 88 -8.716 -21.368 -7.273 1.00 0.00 N ATOM 1354 CA LEU A 88 -9.984 -20.868 -6.724 1.00 0.00 C ATOM 1355 C LEU A 88 -10.879 -22.009 -6.204 1.00 0.00 C ATOM 1356 O LEU A 88 -11.090 -22.120 -4.995 1.00 0.00 O ATOM 1357 CB LEU A 88 -10.692 -19.913 -7.715 1.00 0.00 C ATOM 1358 CG LEU A 88 -10.826 -20.369 -9.187 1.00 0.00 C ATOM 1359 CD1 LEU A 88 -12.107 -19.806 -9.801 1.00 0.00 C ATOM 1360 CD2 LEU A 88 -9.659 -19.893 -10.059 1.00 0.00 C ATOM 0 H LEU A 88 -8.853 -22.113 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.756 -20.265 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.694 -19.717 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -10.156 -18.964 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 88 -10.837 -21.459 -9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -12.189 -20.135 -10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.969 -20.164 -9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.079 -18.717 -9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.804 -20.241 -11.082 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.618 -18.804 -10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.725 -20.295 -9.668 1.00 0.00 H new ATOM 1372 N ASP A 89 -11.377 -22.891 -7.079 1.00 0.00 N ATOM 1373 CA ASP A 89 -12.228 -24.022 -6.674 1.00 0.00 C ATOM 1374 C ASP A 89 -11.455 -25.041 -5.814 1.00 0.00 C ATOM 1375 O ASP A 89 -11.955 -25.514 -4.793 1.00 0.00 O ATOM 1376 CB ASP A 89 -12.829 -24.686 -7.921 1.00 0.00 C ATOM 1377 CG ASP A 89 -13.909 -25.717 -7.544 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -14.963 -25.313 -6.998 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -13.719 -26.928 -7.807 1.00 0.00 O ATOM 0 H ASP A 89 -11.204 -22.844 -8.083 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.037 -23.639 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -13.262 -23.923 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.039 -25.176 -8.490 1.00 0.00 H new ATOM 1384 N TYR A 90 -10.193 -25.290 -6.174 1.00 0.00 N ATOM 1385 CA TYR A 90 -9.217 -26.130 -5.465 1.00 0.00 C ATOM 1386 C TYR A 90 -8.319 -25.315 -4.504 1.00 0.00 C ATOM 1387 O TYR A 90 -7.215 -25.735 -4.157 1.00 0.00 O ATOM 1388 CB TYR A 90 -8.397 -26.910 -6.509 1.00 0.00 C ATOM 1389 CG TYR A 90 -9.246 -27.665 -7.519 1.00 0.00 C ATOM 1390 CD1 TYR A 90 -9.864 -28.879 -7.155 1.00 0.00 C ATOM 1391 CD2 TYR A 90 -9.451 -27.131 -8.809 1.00 0.00 C ATOM 1392 CE1 TYR A 90 -10.688 -29.557 -8.075 1.00 0.00 C ATOM 1393 CE2 TYR A 90 -10.282 -27.802 -9.727 1.00 0.00 C ATOM 1394 CZ TYR A 90 -10.903 -29.017 -9.364 1.00 0.00 C ATOM 1395 OH TYR A 90 -11.695 -29.666 -10.262 1.00 0.00 O ATOM 0 H TYR A 90 -9.798 -24.885 -7.023 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.750 -26.833 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.749 -26.214 -7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.749 -27.618 -5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -9.705 -29.290 -6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.970 -26.207 -9.093 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.156 -30.490 -7.796 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.445 -27.386 -10.710 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.733 -29.153 -11.096 1.00 0.00 H new ATOM 1405 N GLY A 91 -8.773 -24.130 -4.077 1.00 0.00 N ATOM 1406 CA GLY A 91 -8.031 -23.129 -3.292 1.00 0.00 C ATOM 1407 C GLY A 91 -7.958 -23.416 -1.785 1.00 0.00 C ATOM 1408 O GLY A 91 -7.862 -22.493 -0.976 1.00 0.00 O ATOM 0 H GLY A 91 -9.724 -23.824 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.016 -23.060 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.496 -22.154 -3.440 1.00 0.00 H new ATOM 1412 N VAL A 92 -8.064 -24.691 -1.402 1.00 0.00 N ATOM 1413 CA VAL A 92 -7.944 -25.196 -0.027 1.00 0.00 C ATOM 1414 C VAL A 92 -6.534 -24.998 0.557 1.00 0.00 C ATOM 1415 O VAL A 92 -5.548 -24.915 -0.181 1.00 0.00 O ATOM 1416 CB VAL A 92 -8.332 -26.687 0.047 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -9.844 -26.886 -0.106 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -7.648 -27.542 -1.027 1.00 0.00 C ATOM 0 H VAL A 92 -8.245 -25.438 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.636 -24.609 0.576 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.996 -27.011 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.079 -27.949 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.363 -26.356 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.167 -26.495 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.963 -28.580 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.928 -27.177 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.566 -27.477 -0.909 1.00 0.00 H new ATOM 1428 N CYS A 93 -6.436 -24.959 1.890 1.00 0.00 N ATOM 1429 CA CYS A 93 -5.177 -24.923 2.631 1.00 0.00 C ATOM 1430 C CYS A 93 -4.400 -26.251 2.486 1.00 0.00 C ATOM 1431 O CYS A 93 -4.975 -27.336 2.340 1.00 0.00 O ATOM 1432 CB CYS A 93 -5.481 -24.429 4.062 1.00 0.00 C ATOM 1433 SG CYS A 93 -4.246 -24.889 5.324 1.00 0.00 S ATOM 0 H CYS A 93 -7.255 -24.951 2.498 1.00 0.00 H new ATOM 0 HA CYS A 93 -4.470 -24.205 2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -5.569 -23.343 4.043 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -6.451 -24.822 4.366 1.00 0.00 H new ATOM 1438 N GLU A 94 -3.067 -26.152 2.441 1.00 0.00 N ATOM 1439 CA GLU A 94 -2.173 -27.295 2.209 1.00 0.00 C ATOM 1440 C GLU A 94 -2.267 -28.331 3.336 1.00 0.00 C ATOM 1441 O GLU A 94 -2.285 -29.539 3.084 1.00 0.00 O ATOM 1442 CB GLU A 94 -0.715 -26.834 2.093 1.00 0.00 C ATOM 1443 CG GLU A 94 -0.420 -26.050 0.811 1.00 0.00 C ATOM 1444 CD GLU A 94 -0.397 -26.963 -0.432 1.00 0.00 C ATOM 1445 OE1 GLU A 94 0.661 -27.577 -0.719 1.00 0.00 O ATOM 1446 OE2 GLU A 94 -1.431 -27.077 -1.134 1.00 0.00 O ATOM 0 H GLU A 94 -2.572 -25.269 2.566 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.494 -27.756 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.470 -26.212 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.063 -27.706 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.175 -25.275 0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.541 -25.545 0.908 1.00 0.00 H new ATOM 1453 N LYS A 95 -2.326 -27.844 4.582 1.00 0.00 N ATOM 1454 CA LYS A 95 -2.524 -28.663 5.788 1.00 0.00 C ATOM 1455 C LYS A 95 -3.967 -29.152 5.926 1.00 0.00 C ATOM 1456 O LYS A 95 -4.199 -30.358 6.040 1.00 0.00 O ATOM 1457 CB LYS A 95 -2.139 -27.881 7.048 1.00 0.00 C ATOM 1458 CG LYS A 95 -0.645 -27.538 7.103 1.00 0.00 C ATOM 1459 CD LYS A 95 -0.281 -26.976 8.482 1.00 0.00 C ATOM 1460 CE LYS A 95 -0.245 -28.090 9.541 1.00 0.00 C ATOM 1461 NZ LYS A 95 0.135 -27.580 10.883 1.00 0.00 N ATOM 0 H LYS A 95 -2.236 -26.849 4.786 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.876 -29.533 5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.720 -26.960 7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.405 -28.466 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.052 -28.429 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.403 -26.809 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.691 -26.485 8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.008 -26.217 8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.224 -28.565 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.464 -28.859 9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.146 -28.367 11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.081 -27.150 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.555 -26.866 11.191 1.00 0.00 H new ATOM 1475 N CYS A 96 -4.916 -28.214 5.952 1.00 0.00 N ATOM 1476 CA CYS A 96 -6.333 -28.438 6.221 1.00 0.00 C ATOM 1477 C CYS A 96 -7.208 -28.118 4.987 1.00 0.00 C ATOM 1478 O CYS A 96 -7.190 -27.032 4.416 1.00 0.00 O ATOM 1479 CB CYS A 96 -6.725 -27.760 7.553 1.00 0.00 C ATOM 1480 SG CYS A 96 -6.971 -25.977 7.481 1.00 0.00 S ATOM 0 H CYS A 96 -4.704 -27.232 5.777 1.00 0.00 H new ATOM 0 HA CYS A 96 -6.533 -29.497 6.381 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.644 -28.220 7.917 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.949 -27.972 8.289 1.00 0.00 H new ATOM 1485 N HIS A 97 -7.938 -29.126 4.518 1.00 0.00 N ATOM 1486 CA HIS A 97 -8.727 -29.163 3.279 1.00 0.00 C ATOM 1487 C HIS A 97 -10.014 -28.304 3.313 1.00 0.00 C ATOM 1488 O HIS A 97 -11.125 -28.772 3.046 1.00 0.00 O ATOM 1489 CB HIS A 97 -8.977 -30.629 2.891 1.00 0.00 C ATOM 1490 CG HIS A 97 -9.699 -31.463 3.931 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -9.217 -31.835 5.159 1.00 0.00 N flip ATOM 1492 CD2 HIS A 97 -10.963 -31.995 3.805 1.00 0.00 C flip ATOM 1493 CE1 HIS A 97 -10.207 -32.600 5.788 1.00 0.00 C flip ATOM 1494 NE2 HIS A 97 -11.245 -32.671 4.933 1.00 0.00 N flip ATOM 0 H HIS A 97 -8.002 -30.007 5.029 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.141 -28.684 2.494 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -9.556 -30.649 1.968 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.017 -31.099 2.675 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -11.614 -31.888 2.950 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.149 -33.047 6.770 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -12.118 -33.166 5.115 1.00 0.00 H new ATOM 1502 N SER A 98 -9.850 -27.015 3.606 1.00 0.00 N ATOM 1503 CA SER A 98 -10.860 -25.955 3.494 1.00 0.00 C ATOM 1504 C SER A 98 -10.233 -24.670 2.941 1.00 0.00 C ATOM 1505 O SER A 98 -9.023 -24.462 3.042 1.00 0.00 O ATOM 1506 CB SER A 98 -11.516 -25.712 4.856 1.00 0.00 C ATOM 1507 OG SER A 98 -12.573 -24.774 4.719 1.00 0.00 O ATOM 0 H SER A 98 -8.958 -26.658 3.948 1.00 0.00 H new ATOM 0 HA SER A 98 -11.633 -26.273 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.899 -26.650 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.777 -25.340 5.565 1.00 0.00 H new ATOM 0 HG SER A 98 -12.991 -24.623 5.592 1.00 0.00 H new ATOM 1513 N LYS A 99 -11.050 -23.802 2.330 1.00 0.00 N ATOM 1514 CA LYS A 99 -10.648 -22.557 1.643 1.00 0.00 C ATOM 1515 C LYS A 99 -10.951 -21.295 2.471 1.00 0.00 C ATOM 1516 O LYS A 99 -11.167 -20.210 1.934 1.00 0.00 O ATOM 1517 CB LYS A 99 -11.183 -22.531 0.194 1.00 0.00 C ATOM 1518 CG LYS A 99 -12.714 -22.615 0.026 1.00 0.00 C ATOM 1519 CD LYS A 99 -13.288 -24.042 -0.106 1.00 0.00 C ATOM 1520 CE LYS A 99 -12.786 -24.831 -1.327 1.00 0.00 C ATOM 1521 NZ LYS A 99 -13.265 -24.262 -2.615 1.00 0.00 N ATOM 0 H LYS A 99 -12.058 -23.951 2.297 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.561 -22.549 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.837 -21.613 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.734 -23.361 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.184 -22.130 0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.997 -22.044 -0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.042 -24.602 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.375 -23.978 -0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.696 -24.844 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.117 -25.866 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.792 -24.745 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.293 -24.397 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.045 -23.246 -2.649 1.00 0.00 H new ATOM 1535 N ASN A 100 -10.949 -21.444 3.796 1.00 0.00 N ATOM 1536 CA ASN A 100 -11.189 -20.414 4.817 1.00 0.00 C ATOM 1537 C ASN A 100 -10.112 -19.304 4.911 1.00 0.00 C ATOM 1538 O ASN A 100 -10.214 -18.429 5.772 1.00 0.00 O ATOM 1539 CB ASN A 100 -11.342 -21.141 6.171 1.00 0.00 C ATOM 1540 CG ASN A 100 -10.071 -21.860 6.608 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -9.953 -23.068 6.493 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -9.082 -21.143 7.089 1.00 0.00 N ATOM 0 H ASN A 100 -10.766 -22.354 4.219 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.091 -19.874 4.529 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.625 -20.417 6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.155 -21.863 6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.212 -21.596 7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -9.184 -20.133 7.184 1.00 0.00 H new ATOM 1549 N VAL A 101 -9.044 -19.373 4.112 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.876 -18.472 4.145 1.00 0.00 C ATOM 1551 C VAL A 101 -8.230 -16.989 3.934 1.00 0.00 C ATOM 1552 O VAL A 101 -9.224 -16.662 3.279 1.00 0.00 O ATOM 1553 CB VAL A 101 -6.828 -18.914 3.102 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -6.287 -20.316 3.398 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -7.366 -18.924 1.662 1.00 0.00 C ATOM 0 H VAL A 101 -8.961 -20.089 3.390 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.464 -18.552 5.151 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.036 -18.169 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.552 -20.590 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.816 -20.324 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.108 -21.033 3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.577 -19.244 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.207 -19.614 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.695 -17.921 1.390 1.00 0.00 H new ATOM 1565 N ILE A 102 -7.385 -16.083 4.446 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.532 -14.619 4.321 1.00 0.00 C ATOM 1567 C ILE A 102 -6.246 -13.914 3.859 1.00 0.00 C ATOM 1568 O ILE A 102 -5.134 -14.382 4.107 1.00 0.00 O ATOM 1569 CB ILE A 102 -8.061 -13.974 5.626 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -7.138 -14.147 6.857 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.515 -14.397 5.903 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -7.289 -15.448 7.661 1.00 0.00 C ATOM 0 H ILE A 102 -6.555 -16.352 4.974 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.275 -14.473 3.537 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.052 -12.899 5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.104 -14.075 6.519 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.312 -13.309 7.532 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -9.861 -13.930 6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -10.150 -14.080 5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.565 -15.481 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.587 -15.444 8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -8.307 -15.523 8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.081 -16.301 7.015 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.403 -12.756 3.208 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.333 -11.935 2.641 1.00 0.00 C ATOM 1586 C ILE A 103 -4.615 -11.192 3.773 1.00 0.00 C ATOM 1587 O ILE A 103 -5.166 -10.251 4.351 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.845 -10.943 1.560 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.786 -11.518 0.473 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.603 -10.376 0.850 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -8.252 -11.700 0.893 1.00 0.00 C ATOM 0 H ILE A 103 -7.325 -12.348 3.056 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.634 -12.599 2.133 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.449 -10.210 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.755 -10.859 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.395 -12.484 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.915 -9.671 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.971 -9.864 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.042 -11.191 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.822 -12.108 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.306 -12.386 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.670 -10.736 1.181 1.00 0.00 H new ATOM 1603 N THR A 104 -3.391 -11.611 4.095 1.00 0.00 N ATOM 1604 CA THR A 104 -2.582 -11.062 5.203 1.00 0.00 C ATOM 1605 C THR A 104 -1.549 -10.024 4.728 1.00 0.00 C ATOM 1606 O THR A 104 -0.885 -9.359 5.525 1.00 0.00 O ATOM 1607 CB THR A 104 -1.952 -12.220 5.994 1.00 0.00 C ATOM 1608 OG1 THR A 104 -1.432 -11.787 7.227 1.00 0.00 O ATOM 1609 CG2 THR A 104 -0.864 -12.990 5.243 1.00 0.00 C ATOM 0 H THR A 104 -2.917 -12.357 3.587 1.00 0.00 H new ATOM 0 HA THR A 104 -3.239 -10.507 5.873 1.00 0.00 H new ATOM 0 HB THR A 104 -2.781 -12.909 6.153 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.537 -12.497 7.894 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.478 -13.787 5.878 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.285 -13.422 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.053 -12.311 4.980 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.428 -9.860 3.408 1.00 0.00 N ATOM 1618 CA GLN A 105 -0.454 -9.014 2.717 1.00 0.00 C ATOM 1619 C GLN A 105 -1.042 -8.633 1.358 1.00 0.00 C ATOM 1620 O GLN A 105 -1.479 -9.510 0.614 1.00 0.00 O ATOM 1621 CB GLN A 105 0.866 -9.799 2.582 1.00 0.00 C ATOM 1622 CG GLN A 105 1.845 -9.301 1.509 1.00 0.00 C ATOM 1623 CD GLN A 105 2.214 -7.818 1.615 1.00 0.00 C ATOM 1624 OE1 GLN A 105 2.467 -7.282 2.686 1.00 0.00 O ATOM 1625 NE2 GLN A 105 2.230 -7.102 0.512 1.00 0.00 N ATOM 0 H GLN A 105 -2.045 -10.344 2.755 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.242 -8.098 3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.375 -9.781 3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.625 -10.840 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.758 -9.893 1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.409 -9.483 0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.020 -7.541 -0.384 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.452 -6.107 0.553 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.078 -7.337 1.042 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.626 -6.827 -0.219 1.00 0.00 C ATOM 1636 C GLY A 106 -3.160 -6.800 -0.271 1.00 0.00 C ATOM 1637 O GLY A 106 -3.741 -6.717 -1.353 1.00 0.00 O ATOM 0 H GLY A 106 -0.725 -6.605 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.250 -5.817 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.256 -7.443 -1.039 1.00 0.00 H new ATOM 1641 N ASN A 107 -3.810 -6.871 0.898 1.00 0.00 N ATOM 1642 CA ASN A 107 -5.261 -6.791 1.095 1.00 0.00 C ATOM 1643 C ASN A 107 -5.842 -5.481 0.514 1.00 0.00 C ATOM 1644 O ASN A 107 -6.876 -5.495 -0.157 1.00 0.00 O ATOM 1645 CB ASN A 107 -5.508 -6.957 2.610 1.00 0.00 C ATOM 1646 CG ASN A 107 -6.963 -7.194 2.997 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -7.868 -6.459 2.634 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -7.234 -8.219 3.772 1.00 0.00 N ATOM 0 H ASN A 107 -3.309 -6.992 1.778 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.783 -7.579 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -4.909 -7.793 2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.151 -6.064 3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.194 -8.396 4.066 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.484 -8.838 4.080 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.132 -4.364 0.707 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.413 -3.046 0.111 1.00 0.00 C ATOM 1657 C GLU A 108 -4.117 -2.328 -0.319 1.00 0.00 C ATOM 1658 O GLU A 108 -3.018 -2.683 0.115 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.168 -2.152 1.114 1.00 0.00 C ATOM 1660 CG GLU A 108 -7.542 -2.692 1.540 1.00 0.00 C ATOM 1661 CD GLU A 108 -8.339 -1.658 2.362 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -7.737 -0.935 3.195 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -9.577 -1.555 2.176 1.00 0.00 O ATOM 0 H GLU A 108 -4.309 -4.350 1.309 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.028 -3.218 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.551 -2.023 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.301 -1.164 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.113 -2.969 0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.408 -3.599 2.130 1.00 0.00 H new ATOM 1670 N MET A 109 -4.248 -1.281 -1.141 1.00 0.00 N ATOM 1671 CA MET A 109 -3.186 -0.299 -1.410 1.00 0.00 C ATOM 1672 C MET A 109 -2.993 0.651 -0.214 1.00 0.00 C ATOM 1673 O MET A 109 -3.956 0.976 0.484 1.00 0.00 O ATOM 1674 CB MET A 109 -3.526 0.440 -2.721 1.00 0.00 C ATOM 1675 CG MET A 109 -3.030 1.882 -2.894 1.00 0.00 C ATOM 1676 SD MET A 109 -4.054 3.129 -2.069 1.00 0.00 S ATOM 1677 CE MET A 109 -3.303 4.609 -2.778 1.00 0.00 C ATOM 0 H MET A 109 -5.111 -1.087 -1.649 1.00 0.00 H new ATOM 0 HA MET A 109 -2.228 -0.802 -1.539 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.129 -0.149 -3.547 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.611 0.447 -2.827 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.013 1.952 -2.509 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.985 2.113 -3.958 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.000 5.443 -2.701 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.389 4.849 -2.235 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.066 4.430 -3.827 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.757 1.120 -0.001 1.00 0.00 N ATOM 1688 CA ARG A 110 -1.347 2.102 1.026 1.00 0.00 C ATOM 1689 C ARG A 110 -0.242 3.029 0.493 1.00 0.00 C ATOM 1690 O ARG A 110 0.445 2.700 -0.474 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.823 1.356 2.275 1.00 0.00 C ATOM 1692 CG ARG A 110 -1.856 0.626 3.155 1.00 0.00 C ATOM 1693 CD ARG A 110 -2.773 1.554 3.976 1.00 0.00 C ATOM 1694 NE ARG A 110 -4.068 1.823 3.320 1.00 0.00 N ATOM 1695 CZ ARG A 110 -5.162 1.078 3.360 1.00 0.00 C ATOM 1696 NH1 ARG A 110 -5.259 -0.015 4.058 1.00 0.00 N ATOM 1697 NH2 ARG A 110 -6.231 1.399 2.697 1.00 0.00 N ATOM 0 H ARG A 110 -0.968 0.811 -0.569 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.216 2.707 1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.086 0.624 1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.298 2.077 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.476 -0.004 2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.326 -0.037 3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.954 1.104 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.259 2.499 4.151 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.127 2.682 2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.466 -0.338 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.128 -0.549 4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.243 2.244 2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.059 0.806 2.747 1.00 0.00 H new ATOM 1711 N LEU A 111 -0.001 4.152 1.172 1.00 0.00 N ATOM 1712 CA LEU A 111 1.270 4.887 1.071 1.00 0.00 C ATOM 1713 C LEU A 111 2.438 4.045 1.618 1.00 0.00 C ATOM 1714 O LEU A 111 2.246 3.200 2.497 1.00 0.00 O ATOM 1715 CB LEU A 111 1.160 6.217 1.851 1.00 0.00 C ATOM 1716 CG LEU A 111 0.767 7.412 0.968 1.00 0.00 C ATOM 1717 CD1 LEU A 111 0.342 8.595 1.838 1.00 0.00 C ATOM 1718 CD2 LEU A 111 1.942 7.867 0.100 1.00 0.00 C ATOM 0 H LEU A 111 -0.676 4.580 1.806 1.00 0.00 H new ATOM 0 HA LEU A 111 1.470 5.097 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.422 6.104 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.116 6.428 2.331 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.056 7.088 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.066 9.435 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.513 8.308 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.169 8.887 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.634 8.714 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.773 8.165 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.257 7.047 -0.545 1.00 0.00 H new ATOM 1730 N LEU A 112 3.657 4.326 1.146 1.00 0.00 N ATOM 1731 CA LEU A 112 4.903 3.738 1.651 1.00 0.00 C ATOM 1732 C LEU A 112 5.851 4.824 2.187 1.00 0.00 C ATOM 1733 O LEU A 112 6.274 4.750 3.343 1.00 0.00 O ATOM 1734 CB LEU A 112 5.563 2.869 0.561 1.00 0.00 C ATOM 1735 CG LEU A 112 4.758 1.617 0.154 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.442 0.926 -1.027 1.00 0.00 C ATOM 1737 CD2 LEU A 112 4.640 0.597 1.288 1.00 0.00 C ATOM 0 H LEU A 112 3.809 4.985 0.383 1.00 0.00 H new ATOM 0 HA LEU A 112 4.669 3.087 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.725 3.483 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.545 2.553 0.913 1.00 0.00 H new ATOM 0 HG LEU A 112 3.757 1.962 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.871 0.042 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.492 1.613 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.451 0.629 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.064 -0.263 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.636 0.270 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.136 1.056 2.139 1.00 0.00 H new ATOM 1749 N SER A 113 6.163 5.841 1.377 1.00 0.00 N ATOM 1750 CA SER A 113 6.998 7.000 1.745 1.00 0.00 C ATOM 1751 C SER A 113 6.821 8.174 0.768 1.00 0.00 C ATOM 1752 O SER A 113 6.168 8.035 -0.265 1.00 0.00 O ATOM 1753 CB SER A 113 8.479 6.589 1.815 1.00 0.00 C ATOM 1754 OG SER A 113 8.959 6.080 0.584 1.00 0.00 O ATOM 0 H SER A 113 5.832 5.886 0.413 1.00 0.00 H new ATOM 0 HA SER A 113 6.669 7.339 2.727 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.079 7.451 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.607 5.835 2.591 1.00 0.00 H new ATOM 0 HG SER A 113 9.903 5.835 0.677 1.00 0.00 H new ATOM 1760 N LEU A 114 7.421 9.333 1.058 1.00 0.00 N ATOM 1761 CA LEU A 114 7.615 10.443 0.109 1.00 0.00 C ATOM 1762 C LEU A 114 9.125 10.752 -0.005 1.00 0.00 C ATOM 1763 O LEU A 114 9.910 10.383 0.873 1.00 0.00 O ATOM 1764 CB LEU A 114 6.873 11.729 0.552 1.00 0.00 C ATOM 1765 CG LEU A 114 5.596 11.620 1.410 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.166 13.026 1.834 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.420 10.978 0.681 1.00 0.00 C ATOM 0 H LEU A 114 7.797 9.534 1.985 1.00 0.00 H new ATOM 0 HA LEU A 114 7.204 10.133 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.585 12.341 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.612 12.281 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 114 5.847 10.983 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.263 12.963 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.963 13.490 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.965 13.628 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.558 10.936 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.170 11.571 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.690 9.968 0.373 1.00 0.00 H new ATOM 1779 N GLU A 115 9.521 11.515 -1.022 1.00 0.00 N ATOM 1780 CA GLU A 115 10.843 12.134 -1.175 1.00 0.00 C ATOM 1781 C GLU A 115 10.697 13.615 -1.560 1.00 0.00 C ATOM 1782 O GLU A 115 9.751 14.001 -2.250 1.00 0.00 O ATOM 1783 CB GLU A 115 11.638 11.405 -2.273 1.00 0.00 C ATOM 1784 CG GLU A 115 12.057 9.961 -1.956 1.00 0.00 C ATOM 1785 CD GLU A 115 13.353 9.889 -1.120 1.00 0.00 C ATOM 1786 OE1 GLU A 115 13.447 10.537 -0.049 1.00 0.00 O ATOM 1787 OE2 GLU A 115 14.299 9.178 -1.538 1.00 0.00 O ATOM 0 H GLU A 115 8.900 11.731 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 115 11.372 12.059 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.038 11.397 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.536 11.984 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.252 9.463 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.200 9.415 -2.888 1.00 0.00 H new ATOM 1794 N MET A 116 11.672 14.442 -1.180 1.00 0.00 N ATOM 1795 CA MET A 116 11.775 15.872 -1.514 1.00 0.00 C ATOM 1796 C MET A 116 13.139 16.190 -2.151 1.00 0.00 C ATOM 1797 O MET A 116 14.112 15.453 -1.973 1.00 0.00 O ATOM 1798 CB MET A 116 11.536 16.719 -0.251 1.00 0.00 C ATOM 1799 CG MET A 116 10.117 16.543 0.304 1.00 0.00 C ATOM 1800 SD MET A 116 9.792 17.468 1.828 1.00 0.00 S ATOM 1801 CE MET A 116 8.068 16.980 2.080 1.00 0.00 C ATOM 0 H MET A 116 12.450 14.122 -0.604 1.00 0.00 H new ATOM 0 HA MET A 116 11.009 16.121 -2.248 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.261 16.440 0.514 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.706 17.770 -0.483 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.401 16.855 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 116 9.942 15.484 0.491 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.684 17.455 2.983 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.472 17.294 1.223 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.008 15.897 2.186 1.00 0.00 H new ATOM 1811 N LEU A 117 13.221 17.296 -2.898 1.00 0.00 N ATOM 1812 CA LEU A 117 14.408 17.765 -3.593 1.00 0.00 C ATOM 1813 C LEU A 117 15.386 18.403 -2.583 1.00 0.00 C ATOM 1814 O LEU A 117 15.209 19.545 -2.154 1.00 0.00 O ATOM 1815 CB LEU A 117 13.895 18.696 -4.708 1.00 0.00 C ATOM 1816 CG LEU A 117 14.953 19.586 -5.357 1.00 0.00 C ATOM 1817 CD1 LEU A 117 16.130 18.803 -5.947 1.00 0.00 C ATOM 1818 CD2 LEU A 117 14.325 20.432 -6.465 1.00 0.00 C ATOM 0 H LEU A 117 12.420 17.912 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 117 14.996 16.974 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 117 13.433 18.085 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 117 13.113 19.333 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 117 15.344 20.216 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.843 19.498 -6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 117 16.621 18.235 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 117 15.765 18.119 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 117 15.090 21.062 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.896 19.777 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.541 21.061 -6.043 1.00 0.00 H new ATOM 1830 N ALA A 118 16.396 17.631 -2.170 1.00 0.00 N ATOM 1831 CA ALA A 118 17.404 18.028 -1.178 1.00 0.00 C ATOM 1832 C ALA A 118 18.710 18.591 -1.790 1.00 0.00 C ATOM 1833 O ALA A 118 19.460 19.290 -1.106 1.00 0.00 O ATOM 1834 CB ALA A 118 17.694 16.807 -0.294 1.00 0.00 C ATOM 0 H ALA A 118 16.540 16.686 -2.526 1.00 0.00 H new ATOM 0 HA ALA A 118 16.996 18.854 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 118 18.441 17.069 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 118 16.777 16.492 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 118 18.071 15.992 -0.912 1.00 0.00 H new ATOM 1840 N GLU A 119 18.998 18.305 -3.065 1.00 0.00 N ATOM 1841 CA GLU A 119 20.195 18.783 -3.777 1.00 0.00 C ATOM 1842 C GLU A 119 20.163 20.305 -4.014 1.00 0.00 C ATOM 1843 O GLU A 119 19.202 20.855 -4.570 1.00 0.00 O ATOM 1844 CB GLU A 119 20.363 18.000 -5.091 1.00 0.00 C ATOM 1845 CG GLU A 119 21.714 18.283 -5.764 1.00 0.00 C ATOM 1846 CD GLU A 119 21.914 17.401 -7.013 1.00 0.00 C ATOM 1847 OE1 GLU A 119 22.469 16.281 -6.889 1.00 0.00 O ATOM 1848 OE2 GLU A 119 21.529 17.824 -8.130 1.00 0.00 O ATOM 0 H GLU A 119 18.394 17.723 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 119 21.065 18.598 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 119 20.275 16.932 -4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 119 19.556 18.263 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.769 19.334 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 119 22.521 18.101 -5.055 1.00 0.00 H new TER 1855 GLU A 119 HETATM 1856 ZN ZN A 120 -5.284 -24.548 7.272 1.00 0.00 ZN