USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1091 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 19 ASN : amide:sc= -0.507 K(o=-2.1,f=-3.7) USER MOD Set 1.2: A 90 TYR OH : rot 130:sc= -1.63 USER MOD Set 2.1: A 11 TYR OH : rot -3:sc= 0.886 USER MOD Set 2.2: A 45 THR OG1 : rot 170:sc= -0.545 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0248 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.239 F(o=-0.96,f=-0.24) USER MOD Single : A 6 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.005) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.093) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 25 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=-0.16) USER MOD Single : A 29 GLN : amide:sc= -0.057 X(o=-0.057,f=-0.22) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot 43:sc= -1.65 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.23) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 63:sc= 0.0733 USER MOD Single : A 48 HIS : no HD1:sc= -0.0882 X(o=-0.088,f=0) USER MOD Single : A 50 CYS SG : rot -5:sc= 0.0356 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 20:sc= -0.432 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 143:sc= -0.142 (180deg=-1.11) USER MOD Single : A 69 SER OG : rot -46:sc= 0.975 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-1.7) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.994 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc=-4.82e-05 X(o=-4.8e-05,f=-0.015) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -16:sc= 0.00764 USER MOD Single : A 95 GLN : amide:sc= -6.64! C(o=-6.6!,f=-13!) USER MOD Single : A 96 SER OG : rot 20:sc= -0.31 USER MOD Single : A 97 HIS : no HD1:sc= -0.444 X(o=-0.44,f=0.017) USER MOD Single : A 102 THR OG1 : rot 52:sc= 0.0647 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 118 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-2.4) USER MOD Single : A 125 THR OG1 : rot -53:sc= -4.95! USER MOD Single : A 126 MET CE :methyl -124:sc= -1.5 (180deg=-3.33!) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.509 -8.796 23.696 1.00 0.00 N ATOM 2 CA GLY A 1 -0.265 -8.089 22.409 1.00 0.00 C ATOM 3 C GLY A 1 1.205 -8.044 22.039 1.00 0.00 C ATOM 4 O GLY A 1 2.068 -8.040 22.917 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.000 -9.694 23.511 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.400 -8.988 24.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.097 -8.200 24.313 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.821 -8.586 21.614 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.650 -7.072 22.479 1.00 0.00 H new ATOM 10 N PRO A 2 1.526 -8.008 20.734 1.00 0.00 N ATOM 11 CA PRO A 2 2.914 -7.963 20.262 1.00 0.00 C ATOM 12 C PRO A 2 3.711 -6.839 20.917 1.00 0.00 C ATOM 13 O PRO A 2 3.205 -6.131 21.787 1.00 0.00 O ATOM 14 CB PRO A 2 2.773 -7.714 18.760 1.00 0.00 C ATOM 15 CG PRO A 2 1.428 -8.248 18.411 1.00 0.00 C ATOM 16 CD PRO A 2 0.563 -8.010 19.617 1.00 0.00 C ATOM 0 HA PRO A 2 3.457 -8.877 20.505 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.850 -6.652 18.526 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.558 -8.222 18.199 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.023 -7.743 17.534 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.480 -9.310 18.171 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.027 -7.063 19.547 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.187 -8.792 19.734 1.00 0.00 H new ATOM 24 N TYR A 3 4.961 -6.682 20.490 1.00 0.00 N ATOM 25 CA TYR A 3 5.828 -5.643 21.036 1.00 0.00 C ATOM 26 C TYR A 3 6.900 -5.246 20.025 1.00 0.00 C ATOM 27 O TYR A 3 7.437 -6.092 19.309 1.00 0.00 O ATOM 28 CB TYR A 3 6.481 -6.124 22.333 1.00 0.00 C ATOM 29 CG TYR A 3 6.409 -5.115 23.458 1.00 0.00 C ATOM 30 CD1 TYR A 3 5.194 -4.562 23.844 1.00 0.00 C ATOM 31 CD2 TYR A 3 7.556 -4.716 24.132 1.00 0.00 C ATOM 32 CE1 TYR A 3 5.124 -3.640 24.871 1.00 0.00 C ATOM 33 CE2 TYR A 3 7.495 -3.795 25.160 1.00 0.00 C ATOM 34 CZ TYR A 3 6.277 -3.260 25.526 1.00 0.00 C ATOM 35 OH TYR A 3 6.212 -2.342 26.549 1.00 0.00 O ATOM 0 H TYR A 3 5.395 -7.259 19.770 1.00 0.00 H new ATOM 0 HA TYR A 3 5.216 -4.767 21.252 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.998 -7.047 22.653 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.526 -6.363 22.137 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.290 -4.858 23.333 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.511 -5.132 23.848 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.172 -3.219 25.159 1.00 0.00 H new ATOM 0 HE2 TYR A 3 8.396 -3.495 25.674 1.00 0.00 H new ATOM 0 HH TYR A 3 7.111 -2.185 26.905 1.00 0.00 H new ATOM 45 N GLY A 4 7.208 -3.955 19.974 1.00 0.00 N ATOM 46 CA GLY A 4 8.216 -3.468 19.050 1.00 0.00 C ATOM 47 C GLY A 4 7.702 -3.382 17.626 1.00 0.00 C ATOM 48 O GLY A 4 8.152 -4.121 16.750 1.00 0.00 O ATOM 0 H GLY A 4 6.778 -3.236 20.556 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.554 -2.483 19.371 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.083 -4.128 19.081 1.00 0.00 H new ATOM 52 N HIS A 5 6.758 -2.475 17.394 1.00 0.00 N ATOM 53 CA HIS A 5 6.183 -2.294 16.067 1.00 0.00 C ATOM 54 C HIS A 5 5.783 -0.839 15.842 1.00 0.00 C ATOM 55 O HIS A 5 5.046 -0.257 16.637 1.00 0.00 O ATOM 56 CB HIS A 5 4.966 -3.202 15.886 1.00 0.00 C ATOM 57 CG HIS A 5 3.897 -2.982 16.911 1.00 0.00 C ATOM 58 ND1 HIS A 5 3.969 -2.885 18.260 1.00 0.00 N flip ATOM 59 CD2 HIS A 5 2.564 -2.836 16.589 1.00 0.00 C flip ATOM 60 CE1 HIS A 5 2.692 -2.683 18.722 1.00 0.00 C flip ATOM 61 NE2 HIS A 5 1.863 -2.657 17.695 1.00 0.00 N flip ATOM 0 H HIS A 5 6.376 -1.855 18.108 1.00 0.00 H new ATOM 0 HA HIS A 5 6.941 -2.563 15.331 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.546 -3.039 14.894 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.290 -4.242 15.928 1.00 0.00 H new ATOM 0 HD2 HIS A 5 2.157 -2.864 15.589 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.411 -2.565 19.758 1.00 0.00 H new ATOM 0 HE2 HIS A 5 0.853 -2.522 17.746 1.00 0.00 H new ATOM 70 N GLN A 6 6.275 -0.257 14.753 1.00 0.00 N ATOM 71 CA GLN A 6 5.970 1.130 14.424 1.00 0.00 C ATOM 72 C GLN A 6 5.574 1.266 12.955 1.00 0.00 C ATOM 73 O GLN A 6 5.971 2.215 12.279 1.00 0.00 O ATOM 74 CB GLN A 6 7.174 2.025 14.732 1.00 0.00 C ATOM 75 CG GLN A 6 6.850 3.179 15.665 1.00 0.00 C ATOM 76 CD GLN A 6 6.594 2.724 17.089 1.00 0.00 C ATOM 77 OE1 GLN A 6 5.562 3.042 17.678 1.00 0.00 O ATOM 78 NE2 GLN A 6 7.536 1.974 17.648 1.00 0.00 N ATOM 0 H GLN A 6 6.886 -0.725 14.084 1.00 0.00 H new ATOM 0 HA GLN A 6 5.127 1.449 15.037 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.963 1.419 15.178 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.568 2.424 13.797 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.676 3.890 15.658 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.972 3.707 15.293 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.376 1.735 17.122 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.419 1.637 18.604 1.00 0.00 H new ATOM 87 N SER A 7 4.787 0.311 12.470 1.00 0.00 N ATOM 88 CA SER A 7 4.335 0.323 11.084 1.00 0.00 C ATOM 89 C SER A 7 5.517 0.228 10.124 1.00 0.00 C ATOM 90 O SER A 7 6.673 0.320 10.537 1.00 0.00 O ATOM 91 CB SER A 7 3.532 1.593 10.797 1.00 0.00 C ATOM 92 OG SER A 7 2.162 1.412 11.109 1.00 0.00 O ATOM 0 H SER A 7 4.449 -0.481 13.017 1.00 0.00 H new ATOM 0 HA SER A 7 3.695 -0.546 10.931 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.935 2.421 11.380 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.636 1.863 9.746 1.00 0.00 H new ATOM 0 HG SER A 7 1.671 2.238 10.918 1.00 0.00 H new ATOM 98 N GLY A 8 5.219 0.041 8.842 1.00 0.00 N ATOM 99 CA GLY A 8 6.267 -0.065 7.845 1.00 0.00 C ATOM 100 C GLY A 8 5.801 -0.770 6.586 1.00 0.00 C ATOM 101 O GLY A 8 6.311 -0.512 5.497 1.00 0.00 O ATOM 0 H GLY A 8 4.270 -0.039 8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.622 0.933 7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.114 -0.606 8.268 1.00 0.00 H new ATOM 105 N ALA A 9 4.827 -1.662 6.737 1.00 0.00 N ATOM 106 CA ALA A 9 4.291 -2.406 5.605 1.00 0.00 C ATOM 107 C ALA A 9 3.035 -3.177 5.998 1.00 0.00 C ATOM 108 O ALA A 9 2.536 -3.041 7.116 1.00 0.00 O ATOM 109 CB ALA A 9 5.343 -3.356 5.052 1.00 0.00 C ATOM 0 H ALA A 9 4.394 -1.886 7.633 1.00 0.00 H new ATOM 0 HA ALA A 9 4.018 -1.690 4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.929 -3.905 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.212 -2.785 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.643 -4.059 5.829 1.00 0.00 H new ATOM 115 N VAL A 10 2.528 -3.985 5.073 1.00 0.00 N ATOM 116 CA VAL A 10 1.330 -4.777 5.324 1.00 0.00 C ATOM 117 C VAL A 10 1.677 -6.252 5.508 1.00 0.00 C ATOM 118 O VAL A 10 2.034 -6.938 4.551 1.00 0.00 O ATOM 119 CB VAL A 10 0.316 -4.640 4.171 1.00 0.00 C ATOM 120 CG1 VAL A 10 -0.978 -5.368 4.501 1.00 0.00 C ATOM 121 CG2 VAL A 10 0.048 -3.174 3.868 1.00 0.00 C ATOM 0 H VAL A 10 2.928 -4.108 4.143 1.00 0.00 H new ATOM 0 HA VAL A 10 0.881 -4.394 6.241 1.00 0.00 H new ATOM 0 HB VAL A 10 0.745 -5.101 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.679 -5.258 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.770 -6.426 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.414 -4.943 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.670 -3.097 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.357 -2.687 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.979 -2.686 3.580 1.00 0.00 H new ATOM 131 N TYR A 11 1.573 -6.734 6.742 1.00 0.00 N ATOM 132 CA TYR A 11 1.878 -8.130 7.041 1.00 0.00 C ATOM 133 C TYR A 11 0.600 -8.961 7.096 1.00 0.00 C ATOM 134 O TYR A 11 -0.258 -8.741 7.950 1.00 0.00 O ATOM 135 CB TYR A 11 2.623 -8.218 8.377 1.00 0.00 C ATOM 136 CG TYR A 11 2.936 -9.628 8.828 1.00 0.00 C ATOM 137 CD1 TYR A 11 1.929 -10.482 9.263 1.00 0.00 C ATOM 138 CD2 TYR A 11 4.242 -10.102 8.827 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.215 -11.767 9.681 1.00 0.00 C ATOM 140 CE2 TYR A 11 4.535 -11.386 9.244 1.00 0.00 C ATOM 141 CZ TYR A 11 3.519 -12.214 9.670 1.00 0.00 C ATOM 142 OH TYR A 11 3.807 -13.494 10.088 1.00 0.00 O ATOM 0 H TYR A 11 1.281 -6.182 7.549 1.00 0.00 H new ATOM 0 HA TYR A 11 2.510 -8.529 6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.556 -7.660 8.296 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.025 -7.728 9.145 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.906 -10.135 9.274 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.041 -9.456 8.495 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.421 -12.418 10.015 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.556 -11.739 9.236 1.00 0.00 H new ATOM 0 HH TYR A 11 2.987 -13.928 10.403 1.00 0.00 H new ATOM 152 N VAL A 12 0.482 -9.921 6.183 1.00 0.00 N ATOM 153 CA VAL A 12 -0.690 -10.789 6.132 1.00 0.00 C ATOM 154 C VAL A 12 -0.309 -12.258 6.302 1.00 0.00 C ATOM 155 O VAL A 12 0.275 -12.864 5.403 1.00 0.00 O ATOM 156 CB VAL A 12 -1.472 -10.605 4.816 1.00 0.00 C ATOM 157 CG1 VAL A 12 -2.747 -11.435 4.827 1.00 0.00 C ATOM 158 CG2 VAL A 12 -1.789 -9.134 4.591 1.00 0.00 C ATOM 0 H VAL A 12 1.183 -10.117 5.469 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.331 -10.498 6.964 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.849 -10.954 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.283 -11.290 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.494 -12.489 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.378 -11.121 5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.341 -9.019 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.393 -8.761 5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.860 -8.566 4.535 1.00 0.00 H new ATOM 168 N GLY A 13 -0.653 -12.827 7.453 1.00 0.00 N ATOM 169 CA GLY A 13 -0.351 -14.225 7.716 1.00 0.00 C ATOM 170 C GLY A 13 1.106 -14.581 7.474 1.00 0.00 C ATOM 171 O GLY A 13 2.007 -13.930 8.002 1.00 0.00 O ATOM 0 H GLY A 13 -1.137 -12.345 8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.608 -14.457 8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.981 -14.851 7.083 1.00 0.00 H new ATOM 175 N ASN A 14 1.332 -15.623 6.677 1.00 0.00 N ATOM 176 CA ASN A 14 2.686 -16.076 6.368 1.00 0.00 C ATOM 177 C ASN A 14 3.252 -15.362 5.139 1.00 0.00 C ATOM 178 O ASN A 14 4.263 -15.784 4.581 1.00 0.00 O ATOM 179 CB ASN A 14 2.697 -17.590 6.142 1.00 0.00 C ATOM 180 CG ASN A 14 3.172 -18.353 7.362 1.00 0.00 C ATOM 181 OD1 ASN A 14 4.006 -19.253 7.259 1.00 0.00 O ATOM 182 ND2 ASN A 14 2.643 -17.997 8.526 1.00 0.00 N ATOM 0 H ASN A 14 0.594 -16.170 6.233 1.00 0.00 H new ATOM 0 HA ASN A 14 3.320 -15.831 7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.693 -17.922 5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.344 -17.824 5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.925 -18.475 9.382 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.955 -17.245 8.565 1.00 0.00 H new ATOM 189 N TYR A 15 2.601 -14.278 4.731 1.00 0.00 N ATOM 190 CA TYR A 15 3.043 -13.497 3.580 1.00 0.00 C ATOM 191 C TYR A 15 3.105 -12.018 3.951 1.00 0.00 C ATOM 192 O TYR A 15 2.133 -11.463 4.464 1.00 0.00 O ATOM 193 CB TYR A 15 2.077 -13.671 2.405 1.00 0.00 C ATOM 194 CG TYR A 15 2.242 -14.959 1.629 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.462 -15.620 1.557 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.160 -15.511 0.961 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.592 -16.794 0.843 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.282 -16.686 0.249 1.00 0.00 C ATOM 199 CZ TYR A 15 2.500 -17.323 0.192 1.00 0.00 C ATOM 200 OH TYR A 15 2.628 -18.495 -0.518 1.00 0.00 O ATOM 0 H TYR A 15 1.760 -13.918 5.183 1.00 0.00 H new ATOM 0 HA TYR A 15 4.031 -13.852 3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.056 -13.620 2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.206 -12.833 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.321 -15.209 2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.203 -15.011 0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.547 -17.296 0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.426 -17.104 -0.261 1.00 0.00 H new ATOM 0 HH TYR A 15 1.765 -18.732 -0.916 1.00 0.00 H new ATOM 210 N LYS A 16 4.237 -11.379 3.693 1.00 0.00 N ATOM 211 CA LYS A 16 4.390 -9.964 4.008 1.00 0.00 C ATOM 212 C LYS A 16 4.629 -9.145 2.744 1.00 0.00 C ATOM 213 O LYS A 16 5.657 -9.294 2.085 1.00 0.00 O ATOM 214 CB LYS A 16 5.548 -9.760 4.987 1.00 0.00 C ATOM 215 CG LYS A 16 5.726 -8.317 5.430 1.00 0.00 C ATOM 216 CD LYS A 16 6.881 -7.647 4.702 1.00 0.00 C ATOM 217 CE LYS A 16 7.471 -6.511 5.521 1.00 0.00 C ATOM 218 NZ LYS A 16 8.685 -6.938 6.269 1.00 0.00 N ATOM 0 H LYS A 16 5.058 -11.813 3.270 1.00 0.00 H new ATOM 0 HA LYS A 16 3.465 -9.620 4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.383 -10.383 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.471 -10.104 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.806 -7.762 5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.905 -8.285 6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.655 -8.384 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.534 -7.263 3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.724 -5.681 4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.723 -6.143 6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.057 -6.135 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.439 -7.713 6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.409 -7.265 5.598 1.00 0.00 H new ATOM 232 N VAL A 17 3.680 -8.270 2.413 1.00 0.00 N ATOM 233 CA VAL A 17 3.814 -7.428 1.229 1.00 0.00 C ATOM 234 C VAL A 17 4.304 -6.035 1.619 1.00 0.00 C ATOM 235 O VAL A 17 3.686 -5.350 2.434 1.00 0.00 O ATOM 236 CB VAL A 17 2.492 -7.337 0.409 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.549 -8.481 0.755 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.784 -6.001 0.602 1.00 0.00 C ATOM 0 H VAL A 17 2.820 -8.128 2.942 1.00 0.00 H new ATOM 0 HA VAL A 17 4.555 -7.898 0.582 1.00 0.00 H new ATOM 0 HB VAL A 17 2.773 -7.417 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.636 -8.390 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.032 -9.432 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.303 -8.441 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.868 -5.986 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.538 -5.869 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.439 -5.192 0.278 1.00 0.00 H new ATOM 248 N VAL A 18 5.431 -5.634 1.041 1.00 0.00 N ATOM 249 CA VAL A 18 6.026 -4.335 1.331 1.00 0.00 C ATOM 250 C VAL A 18 6.480 -3.637 0.053 1.00 0.00 C ATOM 251 O VAL A 18 6.659 -4.276 -0.981 1.00 0.00 O ATOM 252 CB VAL A 18 7.234 -4.480 2.280 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.330 -5.311 1.630 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.770 -3.117 2.688 1.00 0.00 C ATOM 0 H VAL A 18 5.953 -6.193 0.366 1.00 0.00 H new ATOM 0 HA VAL A 18 5.257 -3.732 1.813 1.00 0.00 H new ATOM 0 HB VAL A 18 6.897 -4.996 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.173 -5.401 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.944 -6.303 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.659 -4.824 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.621 -3.246 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.086 -2.570 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.988 -2.557 3.200 1.00 0.00 H new ATOM 264 N ASN A 19 6.680 -2.326 0.134 1.00 0.00 N ATOM 265 CA ASN A 19 7.136 -1.554 -1.013 1.00 0.00 C ATOM 266 C ASN A 19 8.501 -2.060 -1.473 1.00 0.00 C ATOM 267 O ASN A 19 9.344 -2.421 -0.652 1.00 0.00 O ATOM 268 CB ASN A 19 7.215 -0.067 -0.659 1.00 0.00 C ATOM 269 CG ASN A 19 6.485 0.805 -1.662 1.00 0.00 C ATOM 270 OD1 ASN A 19 5.449 0.416 -2.202 1.00 0.00 O ATOM 271 ND2 ASN A 19 7.023 1.992 -1.916 1.00 0.00 N ATOM 0 H ASN A 19 6.533 -1.778 0.981 1.00 0.00 H new ATOM 0 HA ASN A 19 6.420 -1.678 -1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.791 0.091 0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.261 0.237 -0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.576 2.622 -2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.883 2.273 -1.445 1.00 0.00 H new ATOM 278 N ARG A 20 8.714 -2.097 -2.784 1.00 0.00 N ATOM 279 CA ARG A 20 9.979 -2.575 -3.335 1.00 0.00 C ATOM 280 C ARG A 20 11.151 -1.784 -2.767 1.00 0.00 C ATOM 281 O ARG A 20 12.150 -2.360 -2.332 1.00 0.00 O ATOM 282 CB ARG A 20 9.970 -2.472 -4.861 1.00 0.00 C ATOM 283 CG ARG A 20 10.807 -3.538 -5.549 1.00 0.00 C ATOM 284 CD ARG A 20 12.154 -2.992 -5.997 1.00 0.00 C ATOM 285 NE ARG A 20 12.547 -3.508 -7.305 1.00 0.00 N ATOM 286 CZ ARG A 20 13.785 -3.436 -7.790 1.00 0.00 C ATOM 287 NH1 ARG A 20 14.753 -2.873 -7.076 1.00 0.00 N ATOM 288 NH2 ARG A 20 14.057 -3.931 -8.989 1.00 0.00 N ATOM 0 H ARG A 20 8.031 -1.803 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 20 10.097 -3.621 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.942 -2.545 -5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.339 -1.489 -5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.962 -4.375 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.266 -3.925 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.109 -1.904 -6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.914 -3.254 -5.261 1.00 0.00 H new ATOM 0 HE ARG A 20 11.831 -3.950 -7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.550 -2.493 -6.151 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.700 -2.820 -7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.318 -4.367 -9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.005 -3.876 -9.360 1.00 0.00 H new ATOM 302 N HIS A 21 11.022 -0.464 -2.758 1.00 0.00 N ATOM 303 CA HIS A 21 12.071 0.398 -2.229 1.00 0.00 C ATOM 304 C HIS A 21 12.160 0.288 -0.706 1.00 0.00 C ATOM 305 O HIS A 21 13.066 0.849 -0.090 1.00 0.00 O ATOM 306 CB HIS A 21 11.817 1.851 -2.635 1.00 0.00 C ATOM 307 CG HIS A 21 13.017 2.525 -3.226 1.00 0.00 C ATOM 308 ND1 HIS A 21 13.638 3.608 -2.639 1.00 0.00 N ATOM 309 CD2 HIS A 21 13.713 2.263 -4.357 1.00 0.00 C ATOM 310 CE1 HIS A 21 14.662 3.983 -3.384 1.00 0.00 C ATOM 311 NE2 HIS A 21 14.730 3.182 -4.433 1.00 0.00 N ATOM 0 H HIS A 21 10.204 0.033 -3.110 1.00 0.00 H new ATOM 0 HA HIS A 21 13.021 0.069 -2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 21 11.001 1.881 -3.357 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.489 2.412 -1.760 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.506 1.477 -5.068 1.00 0.00 H new ATOM 0 HE1 HIS A 21 15.330 4.805 -3.172 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.425 3.238 -5.178 1.00 0.00 H new ATOM 320 N LEU A 22 11.214 -0.431 -0.100 1.00 0.00 N ATOM 321 CA LEU A 22 11.194 -0.599 1.349 1.00 0.00 C ATOM 322 C LEU A 22 11.478 -2.044 1.759 1.00 0.00 C ATOM 323 O LEU A 22 11.564 -2.345 2.950 1.00 0.00 O ATOM 324 CB LEU A 22 9.840 -0.163 1.911 1.00 0.00 C ATOM 325 CG LEU A 22 9.411 1.258 1.543 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.977 1.512 1.979 1.00 0.00 C ATOM 327 CD2 LEU A 22 10.350 2.277 2.173 1.00 0.00 C ATOM 0 H LEU A 22 10.455 -0.904 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 22 11.984 0.029 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.078 -0.858 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.871 -0.246 2.997 1.00 0.00 H new ATOM 0 HG LEU A 22 9.464 1.365 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.689 2.528 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.315 0.803 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.898 1.387 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.030 3.283 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.328 2.170 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.365 2.109 1.812 1.00 0.00 H new ATOM 339 N ALA A 23 11.623 -2.940 0.784 1.00 0.00 N ATOM 340 CA ALA A 23 11.894 -4.336 1.084 1.00 0.00 C ATOM 341 C ALA A 23 13.353 -4.533 1.472 1.00 0.00 C ATOM 342 O ALA A 23 14.228 -3.788 1.035 1.00 0.00 O ATOM 343 CB ALA A 23 11.528 -5.213 -0.104 1.00 0.00 C ATOM 0 H ALA A 23 11.557 -2.723 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 23 11.278 -4.631 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.736 -6.256 0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.468 -5.097 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.117 -4.915 -0.971 1.00 0.00 H new ATOM 349 N THR A 24 13.608 -5.535 2.304 1.00 0.00 N ATOM 350 CA THR A 24 14.962 -5.830 2.747 1.00 0.00 C ATOM 351 C THR A 24 15.508 -7.038 1.996 1.00 0.00 C ATOM 352 O THR A 24 14.756 -7.764 1.344 1.00 0.00 O ATOM 353 CB THR A 24 14.987 -6.091 4.255 1.00 0.00 C ATOM 354 OG1 THR A 24 16.212 -6.692 4.639 1.00 0.00 O ATOM 355 CG2 THR A 24 13.867 -6.992 4.727 1.00 0.00 C ATOM 0 H THR A 24 12.894 -6.156 2.685 1.00 0.00 H new ATOM 0 HA THR A 24 15.593 -4.967 2.534 1.00 0.00 H new ATOM 0 HB THR A 24 14.863 -5.112 4.719 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.210 -6.850 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.945 -7.135 5.805 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.907 -6.534 4.490 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.941 -7.957 4.227 1.00 0.00 H new ATOM 363 N HIS A 25 16.816 -7.259 2.091 1.00 0.00 N ATOM 364 CA HIS A 25 17.446 -8.388 1.414 1.00 0.00 C ATOM 365 C HIS A 25 16.750 -9.689 1.794 1.00 0.00 C ATOM 366 O HIS A 25 16.702 -10.636 1.009 1.00 0.00 O ATOM 367 CB HIS A 25 18.931 -8.465 1.770 1.00 0.00 C ATOM 368 CG HIS A 25 19.741 -9.262 0.795 1.00 0.00 C ATOM 369 ND1 HIS A 25 19.745 -9.012 -0.561 1.00 0.00 N ATOM 370 CD2 HIS A 25 20.578 -10.310 0.986 1.00 0.00 C ATOM 371 CE1 HIS A 25 20.549 -9.872 -1.162 1.00 0.00 C ATOM 372 NE2 HIS A 25 21.066 -10.670 -0.247 1.00 0.00 N ATOM 0 H HIS A 25 17.457 -6.675 2.627 1.00 0.00 H new ATOM 0 HA HIS A 25 17.352 -8.239 0.338 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.336 -7.454 1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.036 -8.905 2.762 1.00 0.00 H new ATOM 0 HD2 HIS A 25 20.817 -10.775 1.931 1.00 0.00 H new ATOM 0 HE1 HIS A 25 20.749 -9.914 -2.222 1.00 0.00 H new ATOM 0 HE2 HIS A 25 21.722 -11.431 -0.426 1.00 0.00 H new ATOM 381 N VAL A 26 16.202 -9.719 3.003 1.00 0.00 N ATOM 382 CA VAL A 26 15.494 -10.889 3.498 1.00 0.00 C ATOM 383 C VAL A 26 14.150 -11.054 2.794 1.00 0.00 C ATOM 384 O VAL A 26 13.673 -12.174 2.607 1.00 0.00 O ATOM 385 CB VAL A 26 15.259 -10.804 5.017 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.701 -12.117 5.545 1.00 0.00 C ATOM 387 CG2 VAL A 26 16.547 -10.435 5.737 1.00 0.00 C ATOM 0 H VAL A 26 16.236 -8.940 3.661 1.00 0.00 H new ATOM 0 HA VAL A 26 16.123 -11.754 3.285 1.00 0.00 H new ATOM 0 HB VAL A 26 14.526 -10.021 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.541 -12.038 6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.753 -12.334 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.408 -12.921 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.361 -10.380 6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.305 -11.193 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.899 -9.468 5.379 1.00 0.00 H new ATOM 397 N ASP A 27 13.542 -9.935 2.400 1.00 0.00 N ATOM 398 CA ASP A 27 12.261 -9.973 1.720 1.00 0.00 C ATOM 399 C ASP A 27 12.430 -10.606 0.354 1.00 0.00 C ATOM 400 O ASP A 27 11.637 -11.451 -0.054 1.00 0.00 O ATOM 401 CB ASP A 27 11.684 -8.558 1.581 1.00 0.00 C ATOM 402 CG ASP A 27 10.701 -8.226 2.686 1.00 0.00 C ATOM 403 OD1 ASP A 27 11.110 -8.229 3.866 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.520 -7.964 2.371 1.00 0.00 O ATOM 0 H ASP A 27 13.919 -8.998 2.542 1.00 0.00 H new ATOM 0 HA ASP A 27 11.565 -10.570 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.498 -7.833 1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.187 -8.464 0.615 1.00 0.00 H new ATOM 409 N TRP A 28 13.485 -10.200 -0.342 1.00 0.00 N ATOM 410 CA TRP A 28 13.770 -10.738 -1.659 1.00 0.00 C ATOM 411 C TRP A 28 14.312 -12.158 -1.565 1.00 0.00 C ATOM 412 O TRP A 28 14.024 -13.001 -2.414 1.00 0.00 O ATOM 413 CB TRP A 28 14.744 -9.835 -2.420 1.00 0.00 C ATOM 414 CG TRP A 28 14.116 -8.543 -2.831 1.00 0.00 C ATOM 415 CD1 TRP A 28 13.225 -8.350 -3.846 1.00 0.00 C ATOM 416 CD2 TRP A 28 14.317 -7.266 -2.223 1.00 0.00 C ATOM 417 NE1 TRP A 28 12.856 -7.029 -3.902 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.510 -6.344 -2.912 1.00 0.00 C ATOM 419 CE3 TRP A 28 15.099 -6.815 -1.161 1.00 0.00 C ATOM 420 CZ2 TRP A 28 13.459 -4.997 -2.567 1.00 0.00 C ATOM 421 CZ3 TRP A 28 15.053 -5.480 -0.822 1.00 0.00 C ATOM 422 CH2 TRP A 28 14.234 -4.583 -1.520 1.00 0.00 C ATOM 0 H TRP A 28 14.153 -9.502 -0.015 1.00 0.00 H new ATOM 0 HA TRP A 28 12.833 -10.771 -2.215 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.612 -9.631 -1.793 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.105 -10.359 -3.305 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.863 -9.123 -4.508 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.202 -6.624 -4.571 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.730 -7.500 -0.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.830 -4.304 -3.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.659 -5.119 -0.004 1.00 0.00 H new ATOM 0 HH2 TRP A 28 14.215 -3.544 -1.225 1.00 0.00 H new ATOM 433 N GLN A 29 15.095 -12.421 -0.522 1.00 0.00 N ATOM 434 CA GLN A 29 15.671 -13.745 -0.316 1.00 0.00 C ATOM 435 C GLN A 29 14.573 -14.802 -0.257 1.00 0.00 C ATOM 436 O GLN A 29 14.727 -15.907 -0.777 1.00 0.00 O ATOM 437 CB GLN A 29 16.496 -13.773 0.974 1.00 0.00 C ATOM 438 CG GLN A 29 17.994 -13.657 0.740 1.00 0.00 C ATOM 439 CD GLN A 29 18.753 -14.887 1.197 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.508 -15.415 2.281 1.00 0.00 O ATOM 441 NE2 GLN A 29 19.682 -15.351 0.368 1.00 0.00 N ATOM 0 H GLN A 29 15.344 -11.736 0.192 1.00 0.00 H new ATOM 0 HA GLN A 29 16.327 -13.969 -1.158 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.173 -12.957 1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.291 -14.701 1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.180 -13.493 -0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.374 -12.783 1.269 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.852 -14.882 -0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.225 -16.177 0.621 1.00 0.00 H new ATOM 450 N ASN A 30 13.460 -14.447 0.377 1.00 0.00 N ATOM 451 CA ASN A 30 12.326 -15.355 0.501 1.00 0.00 C ATOM 452 C ASN A 30 11.086 -14.765 -0.163 1.00 0.00 C ATOM 453 O ASN A 30 9.958 -15.067 0.228 1.00 0.00 O ATOM 454 CB ASN A 30 12.039 -15.649 1.975 1.00 0.00 C ATOM 455 CG ASN A 30 13.017 -16.644 2.568 1.00 0.00 C ATOM 456 OD1 ASN A 30 13.961 -16.265 3.262 1.00 0.00 O ATOM 457 ND2 ASN A 30 12.797 -17.925 2.296 1.00 0.00 N ATOM 0 H ASN A 30 13.319 -13.536 0.813 1.00 0.00 H new ATOM 0 HA ASN A 30 12.580 -16.287 -0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.082 -14.720 2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.025 -16.037 2.074 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.423 -18.640 2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.002 -18.194 1.716 1.00 0.00 H new ATOM 464 N CYS A 31 11.301 -13.920 -1.170 1.00 0.00 N ATOM 465 CA CYS A 31 10.198 -13.289 -1.885 1.00 0.00 C ATOM 466 C CYS A 31 9.498 -14.291 -2.797 1.00 0.00 C ATOM 467 O CYS A 31 10.119 -14.890 -3.674 1.00 0.00 O ATOM 468 CB CYS A 31 10.708 -12.095 -2.705 1.00 0.00 C ATOM 469 SG CYS A 31 9.527 -11.452 -3.917 1.00 0.00 S ATOM 0 H CYS A 31 12.227 -13.658 -1.507 1.00 0.00 H new ATOM 0 HA CYS A 31 9.477 -12.931 -1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.980 -11.291 -2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.618 -12.392 -3.226 1.00 0.00 H new ATOM 0 HG CYS A 31 8.345 -11.388 -3.380 1.00 0.00 H new ATOM 475 N VAL A 32 8.197 -14.456 -2.590 1.00 0.00 N ATOM 476 CA VAL A 32 7.405 -15.369 -3.399 1.00 0.00 C ATOM 477 C VAL A 32 6.904 -14.670 -4.658 1.00 0.00 C ATOM 478 O VAL A 32 6.881 -15.259 -5.738 1.00 0.00 O ATOM 479 CB VAL A 32 6.196 -15.924 -2.617 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.646 -16.908 -1.550 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.394 -14.796 -1.989 1.00 0.00 C ATOM 0 H VAL A 32 7.669 -13.968 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 32 8.055 -16.201 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 32 5.555 -16.451 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.776 -17.285 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.171 -17.740 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.315 -16.406 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.547 -15.212 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.029 -14.237 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.030 -14.129 -2.771 1.00 0.00 H new ATOM 491 N TRP A 33 6.500 -13.408 -4.511 1.00 0.00 N ATOM 492 CA TRP A 33 5.997 -12.636 -5.646 1.00 0.00 C ATOM 493 C TRP A 33 6.504 -11.193 -5.601 1.00 0.00 C ATOM 494 O TRP A 33 6.795 -10.658 -4.531 1.00 0.00 O ATOM 495 CB TRP A 33 4.463 -12.675 -5.668 1.00 0.00 C ATOM 496 CG TRP A 33 3.820 -11.471 -6.291 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.309 -11.364 -7.553 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.621 -10.201 -5.669 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.805 -10.100 -7.751 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.987 -9.366 -6.607 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.920 -9.691 -4.407 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.647 -8.046 -6.314 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.584 -8.385 -4.119 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.955 -7.575 -5.070 1.00 0.00 C ATOM 0 H TRP A 33 6.511 -12.903 -3.625 1.00 0.00 H new ATOM 0 HA TRP A 33 6.373 -13.088 -6.564 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.142 -13.564 -6.211 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.100 -12.777 -4.645 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.302 -12.156 -8.287 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.367 -9.763 -8.609 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.407 -10.309 -3.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.158 -7.419 -7.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.810 -7.981 -3.143 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.708 -6.555 -4.815 1.00 0.00 H new ATOM 515 N GLU A 34 6.601 -10.570 -6.774 1.00 0.00 N ATOM 516 CA GLU A 34 7.065 -9.190 -6.876 1.00 0.00 C ATOM 517 C GLU A 34 6.562 -8.542 -8.165 1.00 0.00 C ATOM 518 O GLU A 34 6.838 -9.025 -9.262 1.00 0.00 O ATOM 519 CB GLU A 34 8.595 -9.138 -6.830 1.00 0.00 C ATOM 520 CG GLU A 34 9.160 -7.730 -6.918 1.00 0.00 C ATOM 521 CD GLU A 34 10.153 -7.567 -8.052 1.00 0.00 C ATOM 522 OE1 GLU A 34 10.768 -8.577 -8.453 1.00 0.00 O ATOM 523 OE2 GLU A 34 10.314 -6.428 -8.541 1.00 0.00 O ATOM 0 H GLU A 34 6.364 -11.001 -7.668 1.00 0.00 H new ATOM 0 HA GLU A 34 6.664 -8.634 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.938 -9.601 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.995 -9.733 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.342 -7.023 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.647 -7.479 -5.976 1.00 0.00 H new ATOM 530 N ASP A 35 5.818 -7.447 -8.024 1.00 0.00 N ATOM 531 CA ASP A 35 5.275 -6.738 -9.180 1.00 0.00 C ATOM 532 C ASP A 35 6.012 -5.423 -9.418 1.00 0.00 C ATOM 533 O ASP A 35 5.981 -4.521 -8.580 1.00 0.00 O ATOM 534 CB ASP A 35 3.782 -6.464 -8.983 1.00 0.00 C ATOM 535 CG ASP A 35 2.911 -7.565 -9.554 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.429 -8.388 -10.339 1.00 0.00 O ATOM 537 OD2 ASP A 35 1.708 -7.606 -9.217 1.00 0.00 O ATOM 0 H ASP A 35 5.578 -7.033 -7.123 1.00 0.00 H new ATOM 0 HA ASP A 35 5.413 -7.374 -10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.573 -6.355 -7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.524 -5.517 -9.458 1.00 0.00 H new ATOM 542 N TYR A 36 6.670 -5.323 -10.568 1.00 0.00 N ATOM 543 CA TYR A 36 7.414 -4.118 -10.922 1.00 0.00 C ATOM 544 C TYR A 36 6.470 -2.940 -11.148 1.00 0.00 C ATOM 545 O TYR A 36 6.787 -1.804 -10.794 1.00 0.00 O ATOM 546 CB TYR A 36 8.259 -4.360 -12.175 1.00 0.00 C ATOM 547 CG TYR A 36 7.520 -5.083 -13.279 1.00 0.00 C ATOM 548 CD1 TYR A 36 6.618 -4.409 -14.094 1.00 0.00 C ATOM 549 CD2 TYR A 36 7.726 -6.437 -13.508 1.00 0.00 C ATOM 550 CE1 TYR A 36 5.942 -5.066 -15.104 1.00 0.00 C ATOM 551 CE2 TYR A 36 7.054 -7.101 -14.517 1.00 0.00 C ATOM 552 CZ TYR A 36 6.164 -6.410 -15.312 1.00 0.00 C ATOM 553 OH TYR A 36 5.493 -7.067 -16.318 1.00 0.00 O ATOM 0 H TYR A 36 6.704 -6.061 -11.271 1.00 0.00 H new ATOM 0 HA TYR A 36 8.075 -3.875 -10.090 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.612 -3.401 -12.554 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.141 -4.939 -11.901 1.00 0.00 H new ATOM 0 HD1 TYR A 36 6.443 -3.355 -13.935 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.423 -6.980 -12.887 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.243 -4.529 -15.728 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.225 -8.155 -14.682 1.00 0.00 H new ATOM 0 HH TYR A 36 5.764 -8.009 -16.331 1.00 0.00 H new ATOM 563 N ASN A 37 5.309 -3.217 -11.734 1.00 0.00 N ATOM 564 CA ASN A 37 4.322 -2.180 -12.000 1.00 0.00 C ATOM 565 C ASN A 37 3.654 -1.721 -10.707 1.00 0.00 C ATOM 566 O ASN A 37 2.992 -0.687 -10.676 1.00 0.00 O ATOM 567 CB ASN A 37 3.265 -2.694 -12.982 1.00 0.00 C ATOM 568 CG ASN A 37 3.472 -2.159 -14.385 1.00 0.00 C ATOM 569 OD1 ASN A 37 3.643 -0.957 -14.585 1.00 0.00 O ATOM 570 ND2 ASN A 37 3.453 -3.052 -15.368 1.00 0.00 N ATOM 0 H ASN A 37 5.030 -4.151 -12.033 1.00 0.00 H new ATOM 0 HA ASN A 37 4.836 -1.327 -12.444 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.292 -3.783 -13.004 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.275 -2.407 -12.629 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.583 -2.750 -16.334 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.308 -4.039 -15.157 1.00 0.00 H new ATOM 577 N ARG A 38 3.830 -2.488 -9.638 1.00 0.00 N ATOM 578 CA ARG A 38 3.238 -2.141 -8.354 1.00 0.00 C ATOM 579 C ARG A 38 4.312 -1.845 -7.311 1.00 0.00 C ATOM 580 O ARG A 38 3.998 -1.475 -6.179 1.00 0.00 O ATOM 581 CB ARG A 38 2.336 -3.275 -7.863 1.00 0.00 C ATOM 582 CG ARG A 38 0.896 -3.156 -8.335 1.00 0.00 C ATOM 583 CD ARG A 38 0.149 -4.471 -8.187 1.00 0.00 C ATOM 584 NE ARG A 38 -0.781 -4.699 -9.290 1.00 0.00 N ATOM 585 CZ ARG A 38 -0.402 -4.898 -10.550 1.00 0.00 C ATOM 586 NH1 ARG A 38 0.886 -4.899 -10.870 1.00 0.00 N ATOM 587 NH2 ARG A 38 -1.314 -5.098 -11.493 1.00 0.00 N ATOM 0 H ARG A 38 4.375 -3.350 -9.635 1.00 0.00 H new ATOM 0 HA ARG A 38 2.641 -1.240 -8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.744 -4.226 -8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.352 -3.294 -6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.387 -2.381 -7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.879 -2.843 -9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.865 -5.292 -8.141 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.399 -4.473 -7.245 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.780 -4.706 -9.082 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.591 -4.747 -10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.171 -5.052 -11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.305 -5.099 -11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.024 -5.251 -12.459 1.00 0.00 H new ATOM 601 N ASP A 39 5.582 -2.018 -7.687 1.00 0.00 N ATOM 602 CA ASP A 39 6.689 -1.776 -6.767 1.00 0.00 C ATOM 603 C ASP A 39 6.406 -2.438 -5.424 1.00 0.00 C ATOM 604 O ASP A 39 6.633 -1.855 -4.366 1.00 0.00 O ATOM 605 CB ASP A 39 6.909 -0.273 -6.576 1.00 0.00 C ATOM 606 CG ASP A 39 7.811 0.319 -7.642 1.00 0.00 C ATOM 607 OD1 ASP A 39 7.970 -0.317 -8.705 1.00 0.00 O ATOM 608 OD2 ASP A 39 8.358 1.418 -7.413 1.00 0.00 O ATOM 0 H ASP A 39 5.865 -2.323 -8.618 1.00 0.00 H new ATOM 0 HA ASP A 39 7.595 -2.208 -7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.946 0.238 -6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.346 -0.094 -5.594 1.00 0.00 H new ATOM 613 N LEU A 40 5.882 -3.656 -5.487 1.00 0.00 N ATOM 614 CA LEU A 40 5.535 -4.406 -4.290 1.00 0.00 C ATOM 615 C LEU A 40 5.986 -5.859 -4.408 1.00 0.00 C ATOM 616 O LEU A 40 6.077 -6.402 -5.510 1.00 0.00 O ATOM 617 CB LEU A 40 4.021 -4.339 -4.071 1.00 0.00 C ATOM 618 CG LEU A 40 3.497 -5.085 -2.846 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.869 -4.344 -1.571 1.00 0.00 C ATOM 620 CD2 LEU A 40 1.988 -5.263 -2.943 1.00 0.00 C ATOM 0 H LEU A 40 5.688 -4.146 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 40 6.048 -3.963 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.730 -3.292 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.526 -4.738 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 40 3.960 -6.071 -2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.487 -4.890 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.954 -4.265 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.433 -3.345 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.627 -5.796 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.509 -4.285 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.746 -5.835 -3.839 1.00 0.00 H new ATOM 632 N LEU A 41 6.258 -6.488 -3.269 1.00 0.00 N ATOM 633 CA LEU A 41 6.686 -7.884 -3.255 1.00 0.00 C ATOM 634 C LEU A 41 6.188 -8.601 -2.004 1.00 0.00 C ATOM 635 O LEU A 41 5.995 -7.988 -0.957 1.00 0.00 O ATOM 636 CB LEU A 41 8.220 -8.017 -3.392 1.00 0.00 C ATOM 637 CG LEU A 41 9.122 -7.257 -2.386 1.00 0.00 C ATOM 638 CD1 LEU A 41 10.212 -6.511 -3.129 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.345 -6.282 -1.519 1.00 0.00 C ATOM 0 H LEU A 41 6.190 -6.056 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 41 6.237 -8.365 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.468 -9.076 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.493 -7.689 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 41 9.557 -8.006 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.841 -5.980 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.820 -7.220 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.760 -5.796 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.028 -5.779 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.856 -5.542 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.592 -6.824 -0.947 1.00 0.00 H new ATOM 651 N VAL A 42 5.970 -9.905 -2.127 1.00 0.00 N ATOM 652 CA VAL A 42 5.488 -10.704 -1.008 1.00 0.00 C ATOM 653 C VAL A 42 6.540 -11.714 -0.587 1.00 0.00 C ATOM 654 O VAL A 42 7.028 -12.495 -1.406 1.00 0.00 O ATOM 655 CB VAL A 42 4.169 -11.450 -1.347 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.868 -12.555 -0.331 1.00 0.00 C ATOM 657 CG2 VAL A 42 3.003 -10.474 -1.415 1.00 0.00 C ATOM 0 H VAL A 42 6.119 -10.430 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 42 5.286 -10.014 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 42 4.301 -11.916 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.938 -13.054 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.682 -13.280 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.770 -12.118 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.088 -11.016 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.889 -9.976 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.196 -9.730 -2.188 1.00 0.00 H new ATOM 667 N SER A 43 6.863 -11.694 0.700 1.00 0.00 N ATOM 668 CA SER A 43 7.836 -12.611 1.268 1.00 0.00 C ATOM 669 C SER A 43 7.159 -13.482 2.314 1.00 0.00 C ATOM 670 O SER A 43 6.114 -13.115 2.852 1.00 0.00 O ATOM 671 CB SER A 43 9.003 -11.841 1.890 1.00 0.00 C ATOM 672 OG SER A 43 8.699 -11.427 3.211 1.00 0.00 O ATOM 0 H SER A 43 6.459 -11.044 1.374 1.00 0.00 H new ATOM 0 HA SER A 43 8.233 -13.244 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.893 -12.470 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.235 -10.970 1.277 1.00 0.00 H new ATOM 0 HG SER A 43 9.462 -10.939 3.585 1.00 0.00 H new ATOM 678 N THR A 44 7.736 -14.641 2.591 1.00 0.00 N ATOM 679 CA THR A 44 7.152 -15.553 3.562 1.00 0.00 C ATOM 680 C THR A 44 7.808 -15.416 4.928 1.00 0.00 C ATOM 681 O THR A 44 9.021 -15.231 5.036 1.00 0.00 O ATOM 682 CB THR A 44 7.251 -16.987 3.053 1.00 0.00 C ATOM 683 OG1 THR A 44 8.580 -17.468 3.142 1.00 0.00 O ATOM 684 CG2 THR A 44 6.805 -17.114 1.618 1.00 0.00 C ATOM 0 H THR A 44 8.601 -14.970 2.162 1.00 0.00 H new ATOM 0 HA THR A 44 6.101 -15.291 3.683 1.00 0.00 H new ATOM 0 HB THR A 44 6.590 -17.578 3.688 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.617 -18.390 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.893 -18.153 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.767 -16.795 1.530 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.432 -16.486 0.985 1.00 0.00 H new ATOM 692 N THR A 45 6.985 -15.496 5.967 1.00 0.00 N ATOM 693 CA THR A 45 7.457 -15.370 7.338 1.00 0.00 C ATOM 694 C THR A 45 6.834 -16.441 8.228 1.00 0.00 C ATOM 695 O THR A 45 5.899 -17.132 7.822 1.00 0.00 O ATOM 696 CB THR A 45 7.126 -13.975 7.881 1.00 0.00 C ATOM 697 OG1 THR A 45 7.178 -13.962 9.297 1.00 0.00 O ATOM 698 CG2 THR A 45 5.756 -13.469 7.467 1.00 0.00 C ATOM 0 H THR A 45 5.980 -15.649 5.883 1.00 0.00 H new ATOM 0 HA THR A 45 8.538 -15.508 7.343 1.00 0.00 H new ATOM 0 HB THR A 45 7.880 -13.317 7.449 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.124 -13.038 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.592 -12.477 7.888 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.701 -13.415 6.380 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.990 -14.151 7.836 1.00 0.00 H new ATOM 706 N THR A 46 7.357 -16.572 9.443 1.00 0.00 N ATOM 707 CA THR A 46 6.851 -17.559 10.391 1.00 0.00 C ATOM 708 C THR A 46 6.379 -16.885 11.676 1.00 0.00 C ATOM 709 O THR A 46 6.912 -17.141 12.756 1.00 0.00 O ATOM 710 CB THR A 46 7.932 -18.594 10.706 1.00 0.00 C ATOM 711 OG1 THR A 46 9.135 -17.958 11.103 1.00 0.00 O ATOM 712 CG2 THR A 46 8.255 -19.498 9.537 1.00 0.00 C ATOM 0 H THR A 46 8.131 -16.008 9.794 1.00 0.00 H new ATOM 0 HA THR A 46 5.999 -18.064 9.935 1.00 0.00 H new ATOM 0 HB THR A 46 7.522 -19.203 11.512 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.981 -17.454 11.929 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.029 -20.208 9.829 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.358 -20.041 9.239 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.611 -18.897 8.700 1.00 0.00 H new ATOM 720 N ALA A 47 5.376 -16.023 11.551 1.00 0.00 N ATOM 721 CA ALA A 47 4.832 -15.312 12.703 1.00 0.00 C ATOM 722 C ALA A 47 3.328 -15.105 12.561 1.00 0.00 C ATOM 723 O ALA A 47 2.755 -15.344 11.497 1.00 0.00 O ATOM 724 CB ALA A 47 5.535 -13.974 12.878 1.00 0.00 C ATOM 0 H ALA A 47 4.923 -15.800 10.665 1.00 0.00 H new ATOM 0 HA ALA A 47 5.007 -15.922 13.590 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.119 -13.455 13.741 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.601 -14.141 13.034 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.390 -13.367 11.984 1.00 0.00 H new ATOM 730 N HIS A 48 2.693 -14.660 13.640 1.00 0.00 N ATOM 731 CA HIS A 48 1.254 -14.420 13.637 1.00 0.00 C ATOM 732 C HIS A 48 0.938 -13.014 13.133 1.00 0.00 C ATOM 733 O HIS A 48 1.497 -12.030 13.617 1.00 0.00 O ATOM 734 CB HIS A 48 0.681 -14.610 15.042 1.00 0.00 C ATOM 735 CG HIS A 48 0.198 -16.003 15.306 1.00 0.00 C ATOM 736 ND1 HIS A 48 -0.655 -16.321 16.342 1.00 0.00 N ATOM 737 CD2 HIS A 48 0.453 -17.166 14.661 1.00 0.00 C ATOM 738 CE1 HIS A 48 -0.903 -17.619 16.324 1.00 0.00 C ATOM 739 NE2 HIS A 48 -0.244 -18.154 15.313 1.00 0.00 N ATOM 0 H HIS A 48 3.152 -14.458 14.528 1.00 0.00 H new ATOM 0 HA HIS A 48 0.792 -15.141 12.963 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.446 -14.354 15.775 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.145 -13.914 15.186 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.086 -17.293 13.795 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.537 -18.151 17.018 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.251 -19.141 15.057 1.00 0.00 H new ATOM 748 N GLY A 49 0.038 -12.930 12.159 1.00 0.00 N ATOM 749 CA GLY A 49 -0.338 -11.642 11.606 1.00 0.00 C ATOM 750 C GLY A 49 -1.468 -10.988 12.376 1.00 0.00 C ATOM 751 O GLY A 49 -1.961 -11.543 13.359 1.00 0.00 O ATOM 0 H GLY A 49 -0.438 -13.731 11.743 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.529 -10.982 11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.638 -11.770 10.566 1.00 0.00 H new ATOM 755 N CYS A 50 -1.882 -9.808 11.929 1.00 0.00 N ATOM 756 CA CYS A 50 -2.963 -9.079 12.583 1.00 0.00 C ATOM 757 C CYS A 50 -3.818 -8.340 11.559 1.00 0.00 C ATOM 758 O CYS A 50 -5.047 -8.401 11.603 1.00 0.00 O ATOM 759 CB CYS A 50 -2.395 -8.089 13.600 1.00 0.00 C ATOM 760 SG CYS A 50 -1.462 -8.862 14.942 1.00 0.00 S ATOM 0 H CYS A 50 -1.486 -9.335 11.117 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.593 -9.801 13.102 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.747 -7.383 13.081 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.216 -7.513 14.027 1.00 0.00 H new ATOM 0 HG CYS A 50 -1.538 -10.155 14.835 1.00 0.00 H new ATOM 766 N ASP A 51 -3.161 -7.642 10.639 1.00 0.00 N ATOM 767 CA ASP A 51 -3.862 -6.891 9.604 1.00 0.00 C ATOM 768 C ASP A 51 -4.642 -7.826 8.686 1.00 0.00 C ATOM 769 O ASP A 51 -4.155 -8.893 8.310 1.00 0.00 O ATOM 770 CB ASP A 51 -2.871 -6.063 8.784 1.00 0.00 C ATOM 771 CG ASP A 51 -2.039 -5.134 9.648 1.00 0.00 C ATOM 772 OD1 ASP A 51 -2.632 -4.340 10.408 1.00 0.00 O ATOM 773 OD2 ASP A 51 -0.795 -5.201 9.561 1.00 0.00 O ATOM 0 H ASP A 51 -2.144 -7.581 10.589 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.568 -6.220 10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.210 -6.733 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.416 -5.476 8.045 1.00 0.00 H new ATOM 778 N THR A 52 -5.854 -7.416 8.327 1.00 0.00 N ATOM 779 CA THR A 52 -6.704 -8.212 7.449 1.00 0.00 C ATOM 780 C THR A 52 -7.094 -7.410 6.212 1.00 0.00 C ATOM 781 O THR A 52 -7.696 -6.342 6.318 1.00 0.00 O ATOM 782 CB THR A 52 -7.959 -8.666 8.195 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.614 -9.400 9.356 1.00 0.00 O ATOM 784 CG2 THR A 52 -8.872 -9.536 7.356 1.00 0.00 C ATOM 0 H THR A 52 -6.270 -6.536 8.631 1.00 0.00 H new ATOM 0 HA THR A 52 -6.143 -9.092 7.133 1.00 0.00 H new ATOM 0 HB THR A 52 -8.491 -7.750 8.451 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.430 -9.680 9.820 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.743 -9.823 7.945 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.196 -8.981 6.476 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.335 -10.431 7.043 1.00 0.00 H new ATOM 792 N ILE A 53 -6.741 -7.926 5.039 1.00 0.00 N ATOM 793 CA ILE A 53 -7.053 -7.246 3.786 1.00 0.00 C ATOM 794 C ILE A 53 -8.530 -7.371 3.445 1.00 0.00 C ATOM 795 O ILE A 53 -9.133 -8.430 3.622 1.00 0.00 O ATOM 796 CB ILE A 53 -6.235 -7.787 2.595 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.847 -8.280 3.046 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.127 -6.715 1.517 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.682 -7.696 2.271 1.00 0.00 C ATOM 0 H ILE A 53 -6.241 -8.808 4.929 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.789 -6.201 3.946 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.754 -8.649 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.718 -8.043 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.816 -9.366 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.549 -7.100 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.125 -6.441 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.630 -5.836 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.747 -8.101 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.780 -7.955 1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.680 -6.611 2.379 1.00 0.00 H new ATOM 811 N ALA A 54 -9.107 -6.284 2.952 1.00 0.00 N ATOM 812 CA ALA A 54 -10.511 -6.268 2.579 1.00 0.00 C ATOM 813 C ALA A 54 -10.682 -6.539 1.088 1.00 0.00 C ATOM 814 O ALA A 54 -10.123 -5.832 0.251 1.00 0.00 O ATOM 815 CB ALA A 54 -11.139 -4.935 2.953 1.00 0.00 C ATOM 0 H ALA A 54 -8.621 -5.400 2.801 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.020 -7.061 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.191 -4.936 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.054 -4.782 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.622 -4.130 2.430 1.00 0.00 H new ATOM 821 N ARG A 55 -11.463 -7.564 0.764 1.00 0.00 N ATOM 822 CA ARG A 55 -11.714 -7.924 -0.628 1.00 0.00 C ATOM 823 C ARG A 55 -12.956 -7.210 -1.152 1.00 0.00 C ATOM 824 O ARG A 55 -13.732 -7.775 -1.923 1.00 0.00 O ATOM 825 CB ARG A 55 -11.881 -9.439 -0.764 1.00 0.00 C ATOM 826 CG ARG A 55 -11.158 -10.026 -1.965 1.00 0.00 C ATOM 827 CD ARG A 55 -12.120 -10.326 -3.104 1.00 0.00 C ATOM 828 NE ARG A 55 -11.532 -11.227 -4.094 1.00 0.00 N ATOM 829 CZ ARG A 55 -12.090 -11.501 -5.271 1.00 0.00 C ATOM 830 NH1 ARG A 55 -13.248 -10.948 -5.609 1.00 0.00 N ATOM 831 NH2 ARG A 55 -11.489 -12.331 -6.113 1.00 0.00 N ATOM 0 H ARG A 55 -11.933 -8.160 1.445 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.856 -7.610 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.512 -9.919 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.943 -9.674 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.394 -9.328 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.645 -10.941 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.030 -10.773 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.410 -9.394 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.642 -11.672 -3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.715 -10.309 -4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.671 -11.162 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.599 -12.760 -5.859 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.917 -12.541 -7.015 1.00 0.00 H new ATOM 845 N CYS A 56 -13.136 -5.965 -0.724 1.00 0.00 N ATOM 846 CA CYS A 56 -14.280 -5.167 -1.142 1.00 0.00 C ATOM 847 C CYS A 56 -13.893 -4.201 -2.255 1.00 0.00 C ATOM 848 O CYS A 56 -12.710 -3.996 -2.529 1.00 0.00 O ATOM 849 CB CYS A 56 -14.844 -4.392 0.049 1.00 0.00 C ATOM 850 SG CYS A 56 -13.632 -3.312 0.879 1.00 0.00 S ATOM 0 H CYS A 56 -12.501 -5.486 -0.085 1.00 0.00 H new ATOM 0 HA CYS A 56 -15.045 -5.843 -1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.682 -3.784 -0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.239 -5.102 0.776 1.00 0.00 H new ATOM 855 N GLN A 57 -14.896 -3.612 -2.899 1.00 0.00 N ATOM 856 CA GLN A 57 -14.657 -2.670 -3.985 1.00 0.00 C ATOM 857 C GLN A 57 -15.223 -1.291 -3.658 1.00 0.00 C ATOM 858 O GLN A 57 -15.677 -0.572 -4.549 1.00 0.00 O ATOM 859 CB GLN A 57 -15.276 -3.193 -5.283 1.00 0.00 C ATOM 860 CG GLN A 57 -16.702 -3.694 -5.118 1.00 0.00 C ATOM 861 CD GLN A 57 -17.243 -4.339 -6.379 1.00 0.00 C ATOM 862 OE1 GLN A 57 -17.648 -5.500 -6.371 1.00 0.00 O ATOM 863 NE2 GLN A 57 -17.250 -3.585 -7.472 1.00 0.00 N ATOM 0 H GLN A 57 -15.881 -3.771 -2.687 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.579 -2.573 -4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.263 -2.398 -6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -14.658 -4.003 -5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.738 -4.415 -4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.346 -2.861 -4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.904 -2.626 -7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.601 -3.965 -8.351 1.00 0.00 H new ATOM 872 N CYS A 58 -15.189 -0.922 -2.381 1.00 0.00 N ATOM 873 CA CYS A 58 -15.696 0.377 -1.952 1.00 0.00 C ATOM 874 C CYS A 58 -14.891 1.505 -2.589 1.00 0.00 C ATOM 875 O CYS A 58 -13.672 1.406 -2.728 1.00 0.00 O ATOM 876 CB CYS A 58 -15.639 0.509 -0.428 1.00 0.00 C ATOM 877 SG CYS A 58 -16.407 -0.870 0.480 1.00 0.00 S ATOM 0 H CYS A 58 -14.817 -1.501 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.734 0.450 -2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.596 0.592 -0.122 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -16.131 1.437 -0.138 1.00 0.00 H new ATOM 882 N THR A 59 -15.575 2.578 -2.965 1.00 0.00 N ATOM 883 CA THR A 59 -14.915 3.726 -3.574 1.00 0.00 C ATOM 884 C THR A 59 -14.372 4.676 -2.507 1.00 0.00 C ATOM 885 O THR A 59 -13.836 5.737 -2.827 1.00 0.00 O ATOM 886 CB THR A 59 -15.884 4.476 -4.489 1.00 0.00 C ATOM 887 OG1 THR A 59 -16.820 3.585 -5.068 1.00 0.00 O ATOM 888 CG2 THR A 59 -15.194 5.216 -5.614 1.00 0.00 C ATOM 0 H THR A 59 -16.585 2.678 -2.859 1.00 0.00 H new ATOM 0 HA THR A 59 -14.079 3.355 -4.166 1.00 0.00 H new ATOM 0 HB THR A 59 -16.380 5.205 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.432 4.085 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 59 -15.939 5.726 -6.225 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.503 5.949 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.642 4.507 -6.231 1.00 0.00 H new ATOM 896 N THR A 60 -14.519 4.295 -1.240 1.00 0.00 N ATOM 897 CA THR A 60 -14.045 5.119 -0.136 1.00 0.00 C ATOM 898 C THR A 60 -13.120 4.328 0.782 1.00 0.00 C ATOM 899 O THR A 60 -13.024 3.104 0.687 1.00 0.00 O ATOM 900 CB THR A 60 -15.229 5.665 0.662 1.00 0.00 C ATOM 901 OG1 THR A 60 -15.857 4.631 1.398 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.285 6.318 -0.204 1.00 0.00 C ATOM 0 H THR A 60 -14.962 3.422 -0.955 1.00 0.00 H new ATOM 0 HA THR A 60 -13.480 5.952 -0.556 1.00 0.00 H new ATOM 0 HB THR A 60 -14.807 6.421 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.611 5.001 1.903 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.097 6.684 0.425 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.844 7.153 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 60 -16.676 5.588 -0.913 1.00 0.00 H new ATOM 910 N GLY A 61 -12.442 5.043 1.671 1.00 0.00 N ATOM 911 CA GLY A 61 -11.528 4.412 2.605 1.00 0.00 C ATOM 912 C GLY A 61 -10.884 5.427 3.526 1.00 0.00 C ATOM 913 O GLY A 61 -11.251 6.600 3.508 1.00 0.00 O ATOM 0 H GLY A 61 -12.510 6.057 1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.066 3.672 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.754 3.878 2.053 1.00 0.00 H new ATOM 917 N VAL A 62 -9.924 4.988 4.331 1.00 0.00 N ATOM 918 CA VAL A 62 -9.242 5.891 5.252 1.00 0.00 C ATOM 919 C VAL A 62 -7.748 5.587 5.319 1.00 0.00 C ATOM 920 O VAL A 62 -7.345 4.454 5.582 1.00 0.00 O ATOM 921 CB VAL A 62 -9.843 5.815 6.670 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.716 4.409 7.234 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.179 6.832 7.590 1.00 0.00 C ATOM 0 H VAL A 62 -9.602 4.021 4.366 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.384 6.900 4.865 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.904 6.058 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.146 4.378 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.247 3.709 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.663 4.130 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.617 6.762 8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.110 6.626 7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.334 7.836 7.195 1.00 0.00 H new ATOM 933 N TYR A 63 -6.931 6.610 5.080 1.00 0.00 N ATOM 934 CA TYR A 63 -5.481 6.455 5.118 1.00 0.00 C ATOM 935 C TYR A 63 -4.894 7.158 6.339 1.00 0.00 C ATOM 936 O TYR A 63 -5.302 8.266 6.684 1.00 0.00 O ATOM 937 CB TYR A 63 -4.852 7.002 3.830 1.00 0.00 C ATOM 938 CG TYR A 63 -4.852 8.514 3.726 1.00 0.00 C ATOM 939 CD1 TYR A 63 -3.993 9.283 4.503 1.00 0.00 C ATOM 940 CD2 TYR A 63 -5.708 9.173 2.849 1.00 0.00 C ATOM 941 CE1 TYR A 63 -3.986 10.662 4.410 1.00 0.00 C ATOM 942 CE2 TYR A 63 -5.706 10.552 2.751 1.00 0.00 C ATOM 943 CZ TYR A 63 -4.843 11.290 3.534 1.00 0.00 C ATOM 944 OH TYR A 63 -4.839 12.663 3.439 1.00 0.00 O ATOM 0 H TYR A 63 -7.249 7.554 4.858 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.251 5.392 5.194 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.824 6.645 3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.389 6.591 2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.319 8.794 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.385 8.598 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.312 11.244 5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.376 11.049 2.065 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.501 12.947 2.775 1.00 0.00 H new ATOM 954 N PHE A 64 -3.939 6.505 6.991 1.00 0.00 N ATOM 955 CA PHE A 64 -3.300 7.069 8.176 1.00 0.00 C ATOM 956 C PHE A 64 -2.398 8.243 7.806 1.00 0.00 C ATOM 957 O PHE A 64 -1.778 8.252 6.743 1.00 0.00 O ATOM 958 CB PHE A 64 -2.489 5.993 8.905 1.00 0.00 C ATOM 959 CG PHE A 64 -2.860 5.841 10.353 1.00 0.00 C ATOM 960 CD1 PHE A 64 -2.340 6.698 11.309 1.00 0.00 C ATOM 961 CD2 PHE A 64 -3.729 4.840 10.758 1.00 0.00 C ATOM 962 CE1 PHE A 64 -2.678 6.562 12.641 1.00 0.00 C ATOM 963 CE2 PHE A 64 -4.072 4.698 12.089 1.00 0.00 C ATOM 964 CZ PHE A 64 -3.546 5.560 13.031 1.00 0.00 C ATOM 0 H PHE A 64 -3.590 5.586 6.720 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.083 7.435 8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.631 5.038 8.400 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.429 6.237 8.833 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.661 7.483 11.009 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.143 4.163 10.025 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.265 7.237 13.376 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.750 3.914 12.392 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.813 5.451 14.072 1.00 0.00 H new ATOM 974 N CYS A 65 -2.333 9.232 8.692 1.00 0.00 N ATOM 975 CA CYS A 65 -1.507 10.412 8.461 1.00 0.00 C ATOM 976 C CYS A 65 -0.360 10.478 9.465 1.00 0.00 C ATOM 977 O CYS A 65 -0.476 9.986 10.587 1.00 0.00 O ATOM 978 CB CYS A 65 -2.356 11.682 8.558 1.00 0.00 C ATOM 979 SG CYS A 65 -1.790 13.031 7.496 1.00 0.00 S ATOM 0 H CYS A 65 -2.842 9.240 9.576 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.086 10.339 7.458 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.386 11.438 8.299 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.360 12.025 9.592 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.037 12.552 6.551 1.00 0.00 H new ATOM 985 N ALA A 66 0.749 11.084 9.052 1.00 0.00 N ATOM 986 CA ALA A 66 1.918 11.210 9.914 1.00 0.00 C ATOM 987 C ALA A 66 1.890 12.520 10.695 1.00 0.00 C ATOM 988 O ALA A 66 2.154 12.544 11.898 1.00 0.00 O ATOM 989 CB ALA A 66 3.193 11.111 9.091 1.00 0.00 C ATOM 0 H ALA A 66 0.862 11.495 8.126 1.00 0.00 H new ATOM 0 HA ALA A 66 1.897 10.391 10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.058 11.207 9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.226 10.146 8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.210 11.910 8.349 1.00 0.00 H new ATOM 995 N SER A 67 1.570 13.610 10.004 1.00 0.00 N ATOM 996 CA SER A 67 1.510 14.924 10.634 1.00 0.00 C ATOM 997 C SER A 67 0.310 15.024 11.569 1.00 0.00 C ATOM 998 O SER A 67 0.408 15.576 12.665 1.00 0.00 O ATOM 999 CB SER A 67 1.435 16.020 9.569 1.00 0.00 C ATOM 1000 OG SER A 67 2.726 16.515 9.256 1.00 0.00 O ATOM 0 H SER A 67 1.348 13.609 9.008 1.00 0.00 H new ATOM 0 HA SER A 67 2.418 15.060 11.222 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.965 15.625 8.668 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.806 16.836 9.925 1.00 0.00 H new ATOM 0 HG SER A 67 2.652 17.213 8.572 1.00 0.00 H new ATOM 1006 N LYS A 68 -0.823 14.487 11.128 1.00 0.00 N ATOM 1007 CA LYS A 68 -2.044 14.514 11.924 1.00 0.00 C ATOM 1008 C LYS A 68 -2.097 13.328 12.884 1.00 0.00 C ATOM 1009 O LYS A 68 -2.701 13.411 13.953 1.00 0.00 O ATOM 1010 CB LYS A 68 -3.269 14.512 11.010 1.00 0.00 C ATOM 1011 CG LYS A 68 -4.002 15.843 10.978 1.00 0.00 C ATOM 1012 CD LYS A 68 -3.428 16.773 9.927 1.00 0.00 C ATOM 1013 CE LYS A 68 -2.909 18.063 10.543 1.00 0.00 C ATOM 1014 NZ LYS A 68 -1.574 17.883 11.178 1.00 0.00 N ATOM 0 H LYS A 68 -0.921 14.027 10.223 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.046 15.429 12.516 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.957 14.253 9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.958 13.734 11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.059 15.672 10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.939 16.317 11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.618 16.270 9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.195 17.005 9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.843 18.831 9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.620 18.420 11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.998 18.735 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.693 17.728 12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.097 17.061 10.756 1.00 0.00 H new ATOM 1028 N SER A 69 -1.458 12.228 12.496 1.00 0.00 N ATOM 1029 CA SER A 69 -1.430 11.027 13.323 1.00 0.00 C ATOM 1030 C SER A 69 -2.841 10.518 13.604 1.00 0.00 C ATOM 1031 O SER A 69 -3.132 10.034 14.697 1.00 0.00 O ATOM 1032 CB SER A 69 -0.704 11.309 14.641 1.00 0.00 C ATOM 1033 OG SER A 69 -1.572 11.911 15.585 1.00 0.00 O ATOM 0 H SER A 69 -0.953 12.144 11.614 1.00 0.00 H new ATOM 0 HA SER A 69 -0.892 10.254 12.775 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.309 10.378 15.048 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.148 11.964 14.457 1.00 0.00 H new ATOM 0 HG SER A 69 -2.081 12.627 15.151 1.00 0.00 H new ATOM 1039 N LYS A 70 -3.715 10.631 12.609 1.00 0.00 N ATOM 1040 CA LYS A 70 -5.095 10.183 12.747 1.00 0.00 C ATOM 1041 C LYS A 70 -5.583 9.516 11.468 1.00 0.00 C ATOM 1042 O LYS A 70 -4.924 9.581 10.430 1.00 0.00 O ATOM 1043 CB LYS A 70 -6.009 11.358 13.099 1.00 0.00 C ATOM 1044 CG LYS A 70 -5.989 12.470 12.081 1.00 0.00 C ATOM 1045 CD LYS A 70 -5.948 13.830 12.756 1.00 0.00 C ATOM 1046 CE LYS A 70 -7.298 14.197 13.352 1.00 0.00 C ATOM 1047 NZ LYS A 70 -7.161 15.108 14.523 1.00 0.00 N ATOM 0 H LYS A 70 -3.491 11.030 11.697 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.128 9.452 13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.031 10.993 13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.712 11.760 14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.121 12.357 11.432 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.873 12.402 11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.192 13.825 13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.651 14.588 12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.913 14.676 12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.818 13.289 13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.104 15.334 14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.596 14.642 15.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.687 15.985 14.227 1.00 0.00 H new ATOM 1061 N HIS A 71 -6.745 8.882 11.551 1.00 0.00 N ATOM 1062 CA HIS A 71 -7.331 8.206 10.399 1.00 0.00 C ATOM 1063 C HIS A 71 -8.116 9.201 9.553 1.00 0.00 C ATOM 1064 O HIS A 71 -9.061 9.828 10.033 1.00 0.00 O ATOM 1065 CB HIS A 71 -8.244 7.066 10.859 1.00 0.00 C ATOM 1066 CG HIS A 71 -7.659 5.706 10.635 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -7.919 4.630 11.458 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -6.820 5.248 9.674 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -7.266 3.570 11.014 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -6.593 3.919 9.933 1.00 0.00 N ATOM 0 H HIS A 71 -7.301 8.821 12.404 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.528 7.785 9.794 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.460 7.190 11.920 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.194 7.136 10.330 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.407 5.821 8.857 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.280 2.586 11.459 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.000 3.301 9.379 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.713 9.353 8.297 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.376 10.287 7.397 1.00 0.00 C ATOM 1081 C TYR A 72 -9.189 9.556 6.331 1.00 0.00 C ATOM 1082 O TYR A 72 -8.623 8.887 5.467 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.332 11.174 6.714 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.132 12.514 7.381 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.845 12.601 8.737 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -7.225 13.691 6.652 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -6.657 13.826 9.349 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -7.039 14.921 7.253 1.00 0.00 C ATOM 1089 CZ TYR A 72 -6.756 14.983 8.602 1.00 0.00 C ATOM 1090 OH TYR A 72 -6.569 16.206 9.206 1.00 0.00 O ATOM 0 H TYR A 72 -6.934 8.844 7.881 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.058 10.896 7.990 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.379 10.645 6.692 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.630 11.336 5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.767 11.697 9.323 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.447 13.645 5.596 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.434 13.878 10.404 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.115 15.828 6.671 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.672 16.918 8.541 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.527 9.689 6.357 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.400 9.054 5.373 1.00 0.00 C ATOM 1102 C PRO A 73 -11.363 9.802 4.046 1.00 0.00 C ATOM 1103 O PRO A 73 -11.669 10.992 3.986 1.00 0.00 O ATOM 1104 CB PRO A 73 -12.801 9.145 6.005 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.594 9.704 7.377 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.303 10.468 7.327 1.00 0.00 C ATOM 0 HA PRO A 73 -11.100 8.030 5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.455 9.788 5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.274 8.164 6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.421 10.355 7.661 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.546 8.907 8.119 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.450 11.497 7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.815 10.510 8.301 1.00 0.00 H new ATOM 1114 N VAL A 74 -10.968 9.107 2.987 1.00 0.00 N ATOM 1115 CA VAL A 74 -10.873 9.722 1.671 1.00 0.00 C ATOM 1116 C VAL A 74 -11.481 8.837 0.588 1.00 0.00 C ATOM 1117 O VAL A 74 -11.322 7.616 0.604 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.399 10.019 1.313 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.254 10.413 -0.146 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -8.837 11.104 2.214 1.00 0.00 C ATOM 0 H VAL A 74 -10.709 8.121 3.014 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.436 10.654 1.714 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.828 9.104 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.206 10.615 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.607 9.599 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.845 11.308 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.799 11.298 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.420 12.017 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.888 10.777 3.253 1.00 0.00 H new ATOM 1130 N SER A 75 -12.153 9.471 -0.367 1.00 0.00 N ATOM 1131 CA SER A 75 -12.757 8.755 -1.481 1.00 0.00 C ATOM 1132 C SER A 75 -11.765 8.700 -2.634 1.00 0.00 C ATOM 1133 O SER A 75 -11.299 9.736 -3.108 1.00 0.00 O ATOM 1134 CB SER A 75 -14.049 9.441 -1.927 1.00 0.00 C ATOM 1135 OG SER A 75 -14.926 9.639 -0.831 1.00 0.00 O ATOM 0 H SER A 75 -12.292 10.481 -0.390 1.00 0.00 H new ATOM 0 HA SER A 75 -13.005 7.742 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.815 10.401 -2.387 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.543 8.835 -2.687 1.00 0.00 H new ATOM 0 HG SER A 75 -15.744 10.081 -1.142 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.422 7.495 -3.067 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.455 7.337 -4.148 1.00 0.00 C ATOM 1143 C PHE A 76 -10.986 6.445 -5.260 1.00 0.00 C ATOM 1144 O PHE A 76 -11.961 5.713 -5.088 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.130 6.759 -3.621 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.118 6.461 -2.146 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -9.986 5.525 -1.606 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.236 7.116 -1.302 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -9.975 5.251 -0.252 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.220 6.845 0.052 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.091 5.911 0.578 1.00 0.00 C ATOM 0 H PHE A 76 -11.793 6.621 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.279 8.331 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.907 5.841 -4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.328 7.463 -3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.678 5.004 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.553 7.847 -1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.658 4.521 0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.527 7.363 0.699 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.081 5.697 1.637 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.304 6.503 -6.396 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.648 5.699 -7.556 1.00 0.00 C ATOM 1163 C GLU A 77 -9.553 4.670 -7.784 1.00 0.00 C ATOM 1164 O GLU A 77 -8.433 4.843 -7.298 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.813 6.581 -8.795 1.00 0.00 C ATOM 1166 CG GLU A 77 -12.080 7.420 -8.783 1.00 0.00 C ATOM 1167 CD GLU A 77 -12.635 7.657 -10.173 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -12.420 6.798 -11.054 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -13.284 8.704 -10.383 1.00 0.00 O ATOM 0 H GLU A 77 -9.496 7.110 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.597 5.193 -7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.951 7.242 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.815 5.949 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.835 6.923 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.871 8.380 -8.311 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.868 3.594 -8.496 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.875 2.562 -8.735 1.00 0.00 C ATOM 1178 C GLY A 78 -8.436 2.452 -10.186 1.00 0.00 C ATOM 1179 O GLY A 78 -8.730 1.453 -10.842 1.00 0.00 O ATOM 0 H GLY A 78 -10.784 3.418 -8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.001 2.763 -8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.279 1.602 -8.414 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.714 3.455 -10.722 1.00 0.00 N ATOM 1184 CA PRO A 79 -7.240 3.422 -12.106 1.00 0.00 C ATOM 1185 C PRO A 79 -6.188 2.337 -12.319 1.00 0.00 C ATOM 1186 O PRO A 79 -5.340 2.088 -11.452 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.618 4.809 -12.325 1.00 0.00 C ATOM 1188 CG PRO A 79 -7.066 5.641 -11.171 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.308 4.690 -10.036 1.00 0.00 C ATOM 0 HA PRO A 79 -8.048 3.197 -12.802 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.530 4.748 -12.365 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.948 5.241 -13.270 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.308 6.378 -10.906 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.974 6.191 -11.418 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.411 4.542 -9.435 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.086 5.053 -9.364 1.00 0.00 H new ATOM 1197 N GLY A 80 -6.253 1.693 -13.479 1.00 0.00 N ATOM 1198 CA GLY A 80 -5.312 0.639 -13.799 1.00 0.00 C ATOM 1199 C GLY A 80 -3.873 1.112 -13.755 1.00 0.00 C ATOM 1200 O GLY A 80 -3.233 1.070 -12.706 1.00 0.00 O ATOM 0 H GLY A 80 -6.944 1.884 -14.205 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.442 -0.185 -13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.533 0.249 -14.793 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.361 1.558 -14.896 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.987 2.029 -14.975 1.00 0.00 C ATOM 1206 C LEU A 81 -1.893 3.540 -14.793 1.00 0.00 C ATOM 1207 O LEU A 81 -2.450 4.308 -15.579 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.358 1.633 -16.306 1.00 0.00 C ATOM 1209 CG LEU A 81 0.117 1.234 -16.221 1.00 0.00 C ATOM 1210 CD1 LEU A 81 0.873 2.123 -15.244 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.252 -0.228 -15.829 1.00 0.00 C ATOM 0 H LEU A 81 -3.876 1.603 -15.775 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.439 1.555 -14.161 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.922 0.800 -16.726 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.456 2.467 -17.001 1.00 0.00 H new ATOM 0 HG LEU A 81 0.559 1.371 -17.208 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.918 1.815 -15.205 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.812 3.160 -15.574 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.431 2.032 -14.252 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.308 -0.494 -15.774 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.214 -0.389 -14.857 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.240 -0.852 -16.575 1.00 0.00 H new ATOM 1223 N VAL A 82 -1.164 3.956 -13.764 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.966 5.371 -13.485 1.00 0.00 C ATOM 1225 C VAL A 82 0.522 5.693 -13.467 1.00 0.00 C ATOM 1226 O VAL A 82 1.286 5.096 -12.708 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.597 5.788 -12.138 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.404 7.277 -11.891 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -3.075 5.429 -12.114 1.00 0.00 C ATOM 0 H VAL A 82 -0.699 3.329 -13.107 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.461 5.932 -14.277 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.094 5.244 -11.339 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.856 7.549 -10.937 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.339 7.507 -11.867 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.879 7.843 -12.692 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.507 5.729 -11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.589 5.948 -12.923 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.190 4.353 -12.243 1.00 0.00 H new ATOM 1239 N GLU A 83 0.934 6.629 -14.313 1.00 0.00 N ATOM 1240 CA GLU A 83 2.336 7.011 -14.391 1.00 0.00 C ATOM 1241 C GLU A 83 2.745 7.815 -13.164 1.00 0.00 C ATOM 1242 O GLU A 83 2.359 8.974 -13.011 1.00 0.00 O ATOM 1243 CB GLU A 83 2.596 7.823 -15.663 1.00 0.00 C ATOM 1244 CG GLU A 83 3.690 7.240 -16.543 1.00 0.00 C ATOM 1245 CD GLU A 83 3.827 7.971 -17.864 1.00 0.00 C ATOM 1246 OE1 GLU A 83 2.828 8.569 -18.318 1.00 0.00 O ATOM 1247 OE2 GLU A 83 4.933 7.947 -18.444 1.00 0.00 O ATOM 0 H GLU A 83 0.320 7.135 -14.951 1.00 0.00 H new ATOM 0 HA GLU A 83 2.936 6.102 -14.424 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.673 7.886 -16.239 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.869 8.841 -15.385 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.640 7.280 -16.010 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.476 6.189 -16.734 1.00 0.00 H new ATOM 1254 N VAL A 84 3.529 7.190 -12.292 1.00 0.00 N ATOM 1255 CA VAL A 84 3.990 7.847 -11.080 1.00 0.00 C ATOM 1256 C VAL A 84 5.101 8.839 -11.397 1.00 0.00 C ATOM 1257 O VAL A 84 6.191 8.446 -11.808 1.00 0.00 O ATOM 1258 CB VAL A 84 4.503 6.818 -10.045 1.00 0.00 C ATOM 1259 CG1 VAL A 84 5.316 7.495 -8.948 1.00 0.00 C ATOM 1260 CG2 VAL A 84 3.342 6.041 -9.443 1.00 0.00 C ATOM 0 H VAL A 84 3.857 6.231 -12.404 1.00 0.00 H new ATOM 0 HA VAL A 84 3.140 8.379 -10.654 1.00 0.00 H new ATOM 0 HB VAL A 84 5.158 6.120 -10.566 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.662 6.745 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.175 7.999 -9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.693 8.225 -8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.723 5.322 -8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.661 6.732 -8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.810 5.512 -10.233 1.00 0.00 H new ATOM 1270 N GLN A 85 4.819 10.121 -11.186 1.00 0.00 N ATOM 1271 CA GLN A 85 5.794 11.177 -11.431 1.00 0.00 C ATOM 1272 C GLN A 85 6.884 11.137 -10.369 1.00 0.00 C ATOM 1273 O GLN A 85 6.635 10.726 -9.236 1.00 0.00 O ATOM 1274 CB GLN A 85 5.110 12.546 -11.429 1.00 0.00 C ATOM 1275 CG GLN A 85 6.026 13.686 -11.845 1.00 0.00 C ATOM 1276 CD GLN A 85 5.425 14.550 -12.937 1.00 0.00 C ATOM 1277 OE1 GLN A 85 4.303 15.042 -12.809 1.00 0.00 O ATOM 1278 NE2 GLN A 85 6.169 14.739 -14.021 1.00 0.00 N ATOM 0 H GLN A 85 3.918 10.454 -10.844 1.00 0.00 H new ATOM 0 HA GLN A 85 6.245 11.014 -12.410 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.253 12.516 -12.102 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.723 12.748 -10.430 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.245 14.306 -10.976 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.975 13.276 -12.192 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.093 14.313 -14.086 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.816 15.310 -14.789 1.00 0.00 H new ATOM 1287 N GLU A 86 8.092 11.552 -10.731 1.00 0.00 N ATOM 1288 CA GLU A 86 9.195 11.537 -9.783 1.00 0.00 C ATOM 1289 C GLU A 86 8.956 12.564 -8.683 1.00 0.00 C ATOM 1290 O GLU A 86 9.167 13.761 -8.873 1.00 0.00 O ATOM 1291 CB GLU A 86 10.517 11.831 -10.496 1.00 0.00 C ATOM 1292 CG GLU A 86 10.565 13.204 -11.147 1.00 0.00 C ATOM 1293 CD GLU A 86 11.427 14.185 -10.376 1.00 0.00 C ATOM 1294 OE1 GLU A 86 12.549 13.806 -9.982 1.00 0.00 O ATOM 1295 OE2 GLU A 86 10.978 15.331 -10.166 1.00 0.00 O ATOM 0 H GLU A 86 8.329 11.898 -11.661 1.00 0.00 H new ATOM 0 HA GLU A 86 9.253 10.545 -9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.333 11.750 -9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.686 11.071 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.950 13.107 -12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.553 13.600 -11.226 1.00 0.00 H new ATOM 1302 N SER A 87 8.511 12.076 -7.531 1.00 0.00 N ATOM 1303 CA SER A 87 8.235 12.937 -6.388 1.00 0.00 C ATOM 1304 C SER A 87 8.587 12.234 -5.082 1.00 0.00 C ATOM 1305 O SER A 87 8.945 11.058 -5.083 1.00 0.00 O ATOM 1306 CB SER A 87 6.762 13.350 -6.378 1.00 0.00 C ATOM 1307 OG SER A 87 6.611 14.691 -5.948 1.00 0.00 O ATOM 0 H SER A 87 8.333 11.086 -7.364 1.00 0.00 H new ATOM 0 HA SER A 87 8.854 13.829 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.342 13.236 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.200 12.688 -5.719 1.00 0.00 H new ATOM 0 HG SER A 87 5.661 14.931 -5.952 1.00 0.00 H new ATOM 1313 N GLU A 88 8.459 12.960 -3.973 1.00 0.00 N ATOM 1314 CA GLU A 88 8.741 12.416 -2.645 1.00 0.00 C ATOM 1315 C GLU A 88 10.021 11.571 -2.636 1.00 0.00 C ATOM 1316 O GLU A 88 11.103 12.075 -2.337 1.00 0.00 O ATOM 1317 CB GLU A 88 7.542 11.594 -2.155 1.00 0.00 C ATOM 1318 CG GLU A 88 7.464 11.476 -0.641 1.00 0.00 C ATOM 1319 CD GLU A 88 7.126 12.793 0.029 1.00 0.00 C ATOM 1320 OE1 GLU A 88 5.936 13.173 0.025 1.00 0.00 O ATOM 1321 OE2 GLU A 88 8.052 13.445 0.558 1.00 0.00 O ATOM 0 H GLU A 88 8.159 13.935 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 88 8.904 13.251 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.624 12.051 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.596 10.595 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.711 10.734 -0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.418 11.112 -0.259 1.00 0.00 H new ATOM 1328 N TYR A 89 9.891 10.289 -2.970 1.00 0.00 N ATOM 1329 CA TYR A 89 11.032 9.384 -3.006 1.00 0.00 C ATOM 1330 C TYR A 89 10.810 8.285 -4.043 1.00 0.00 C ATOM 1331 O TYR A 89 11.396 7.206 -3.954 1.00 0.00 O ATOM 1332 CB TYR A 89 11.262 8.759 -1.626 1.00 0.00 C ATOM 1333 CG TYR A 89 9.984 8.370 -0.914 1.00 0.00 C ATOM 1334 CD1 TYR A 89 9.054 7.535 -1.520 1.00 0.00 C ATOM 1335 CD2 TYR A 89 9.711 8.840 0.363 1.00 0.00 C ATOM 1336 CE1 TYR A 89 7.886 7.180 -0.872 1.00 0.00 C ATOM 1337 CE2 TYR A 89 8.544 8.489 1.018 1.00 0.00 C ATOM 1338 CZ TYR A 89 7.636 7.659 0.396 1.00 0.00 C ATOM 1339 OH TYR A 89 6.474 7.308 1.045 1.00 0.00 O ATOM 0 H TYR A 89 9.003 9.855 -3.220 1.00 0.00 H new ATOM 0 HA TYR A 89 11.915 9.958 -3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.889 7.874 -1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.813 9.465 -1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.247 7.157 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.421 9.490 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.172 6.530 -1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.345 8.863 2.011 1.00 0.00 H new ATOM 0 HH TYR A 89 6.453 7.729 1.930 1.00 0.00 H new ATOM 1349 N TYR A 90 9.955 8.568 -5.022 1.00 0.00 N ATOM 1350 CA TYR A 90 9.648 7.606 -6.072 1.00 0.00 C ATOM 1351 C TYR A 90 10.063 8.143 -7.440 1.00 0.00 C ATOM 1352 O TYR A 90 9.849 9.318 -7.743 1.00 0.00 O ATOM 1353 CB TYR A 90 8.149 7.287 -6.072 1.00 0.00 C ATOM 1354 CG TYR A 90 7.833 5.852 -5.718 1.00 0.00 C ATOM 1355 CD1 TYR A 90 8.426 5.239 -4.621 1.00 0.00 C ATOM 1356 CD2 TYR A 90 6.939 5.111 -6.480 1.00 0.00 C ATOM 1357 CE1 TYR A 90 8.136 3.927 -4.296 1.00 0.00 C ATOM 1358 CE2 TYR A 90 6.644 3.800 -6.160 1.00 0.00 C ATOM 1359 CZ TYR A 90 7.245 3.213 -5.067 1.00 0.00 C ATOM 1360 OH TYR A 90 6.954 1.907 -4.746 1.00 0.00 O ATOM 0 H TYR A 90 9.463 9.457 -5.109 1.00 0.00 H new ATOM 0 HA TYR A 90 10.210 6.694 -5.873 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.646 7.946 -5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.740 7.507 -7.058 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.124 5.796 -4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.466 5.567 -7.337 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.606 3.464 -3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.946 3.238 -6.763 1.00 0.00 H new ATOM 0 HH TYR A 90 5.982 1.785 -4.720 1.00 0.00 H new ATOM 1370 N PRO A 91 10.660 7.284 -8.289 1.00 0.00 N ATOM 1371 CA PRO A 91 11.102 7.672 -9.631 1.00 0.00 C ATOM 1372 C PRO A 91 9.948 7.725 -10.626 1.00 0.00 C ATOM 1373 O PRO A 91 8.982 6.973 -10.506 1.00 0.00 O ATOM 1374 CB PRO A 91 12.079 6.560 -10.004 1.00 0.00 C ATOM 1375 CG PRO A 91 11.568 5.359 -9.285 1.00 0.00 C ATOM 1376 CD PRO A 91 10.949 5.863 -8.006 1.00 0.00 C ATOM 0 HA PRO A 91 11.538 8.671 -9.651 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.103 6.397 -11.082 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.096 6.805 -9.696 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.833 4.827 -9.889 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.376 4.658 -9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.042 5.312 -7.757 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.630 5.754 -7.162 1.00 0.00 H new ATOM 1384 N LYS A 92 10.053 8.620 -11.606 1.00 0.00 N ATOM 1385 CA LYS A 92 9.014 8.770 -12.621 1.00 0.00 C ATOM 1386 C LYS A 92 8.832 7.474 -13.409 1.00 0.00 C ATOM 1387 O LYS A 92 9.349 7.331 -14.517 1.00 0.00 O ATOM 1388 CB LYS A 92 9.361 9.929 -13.566 1.00 0.00 C ATOM 1389 CG LYS A 92 8.502 10.003 -14.826 1.00 0.00 C ATOM 1390 CD LYS A 92 7.026 9.761 -14.538 1.00 0.00 C ATOM 1391 CE LYS A 92 6.173 10.946 -14.966 1.00 0.00 C ATOM 1392 NZ LYS A 92 5.776 10.856 -16.398 1.00 0.00 N ATOM 0 H LYS A 92 10.846 9.251 -11.718 1.00 0.00 H new ATOM 0 HA LYS A 92 8.073 8.996 -12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.263 10.867 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.407 9.840 -13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.623 10.983 -15.288 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.854 9.265 -15.547 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.694 8.864 -15.062 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.887 9.577 -13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.279 10.993 -14.344 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.726 11.870 -14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.196 11.682 -16.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.628 10.836 -16.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.226 9.987 -16.552 1.00 0.00 H new ATOM 1406 N ARG A 93 8.103 6.526 -12.823 1.00 0.00 N ATOM 1407 CA ARG A 93 7.861 5.238 -13.465 1.00 0.00 C ATOM 1408 C ARG A 93 6.367 4.946 -13.600 1.00 0.00 C ATOM 1409 O ARG A 93 5.525 5.722 -13.144 1.00 0.00 O ATOM 1410 CB ARG A 93 8.538 4.119 -12.670 1.00 0.00 C ATOM 1411 CG ARG A 93 9.325 3.148 -13.535 1.00 0.00 C ATOM 1412 CD ARG A 93 9.744 1.916 -12.748 1.00 0.00 C ATOM 1413 NE ARG A 93 8.770 0.833 -12.867 1.00 0.00 N ATOM 1414 CZ ARG A 93 8.700 0.010 -13.911 1.00 0.00 C ATOM 1415 NH1 ARG A 93 9.540 0.144 -14.930 1.00 0.00 N ATOM 1416 NH2 ARG A 93 7.786 -0.951 -13.936 1.00 0.00 N ATOM 0 H ARG A 93 7.670 6.627 -11.905 1.00 0.00 H new ATOM 0 HA ARG A 93 8.286 5.284 -14.468 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.209 4.562 -11.934 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.778 3.566 -12.117 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.719 2.847 -14.390 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.210 3.646 -13.931 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.715 1.571 -13.104 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.865 2.181 -11.698 1.00 0.00 H new ATOM 0 HE ARG A 93 8.105 0.700 -12.105 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.245 0.881 -14.916 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.481 -0.490 -15.727 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.138 -1.059 -13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.731 -1.582 -14.735 1.00 0.00 H new ATOM 1430 N TYR A 94 6.052 3.814 -14.224 1.00 0.00 N ATOM 1431 CA TYR A 94 4.669 3.392 -14.424 1.00 0.00 C ATOM 1432 C TYR A 94 4.198 2.513 -13.267 1.00 0.00 C ATOM 1433 O TYR A 94 4.899 1.588 -12.857 1.00 0.00 O ATOM 1434 CB TYR A 94 4.537 2.635 -15.745 1.00 0.00 C ATOM 1435 CG TYR A 94 4.238 3.532 -16.924 1.00 0.00 C ATOM 1436 CD1 TYR A 94 5.212 4.377 -17.438 1.00 0.00 C ATOM 1437 CD2 TYR A 94 2.984 3.537 -17.516 1.00 0.00 C ATOM 1438 CE1 TYR A 94 4.944 5.202 -18.511 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.706 4.359 -18.590 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.688 5.190 -19.084 1.00 0.00 C ATOM 1441 OH TYR A 94 3.416 6.012 -20.154 1.00 0.00 O ATOM 0 H TYR A 94 6.744 3.167 -14.603 1.00 0.00 H new ATOM 0 HA TYR A 94 4.040 4.282 -14.458 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.462 2.091 -15.937 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.744 1.893 -15.652 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.195 4.389 -16.991 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.212 2.887 -17.131 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.712 5.853 -18.900 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.724 4.351 -19.040 1.00 0.00 H new ATOM 0 HH TYR A 94 4.107 6.704 -20.219 1.00 0.00 H new ATOM 1451 N GLN A 95 3.012 2.810 -12.738 1.00 0.00 N ATOM 1452 CA GLN A 95 2.465 2.043 -11.621 1.00 0.00 C ATOM 1453 C GLN A 95 1.070 1.505 -11.936 1.00 0.00 C ATOM 1454 O GLN A 95 0.131 2.274 -12.139 1.00 0.00 O ATOM 1455 CB GLN A 95 2.412 2.910 -10.362 1.00 0.00 C ATOM 1456 CG GLN A 95 2.505 2.113 -9.072 1.00 0.00 C ATOM 1457 CD GLN A 95 3.788 2.384 -8.310 1.00 0.00 C ATOM 1458 OE1 GLN A 95 3.902 3.383 -7.600 1.00 0.00 O ATOM 1459 NE2 GLN A 95 4.761 1.493 -8.454 1.00 0.00 N ATOM 0 H GLN A 95 2.415 3.571 -13.062 1.00 0.00 H new ATOM 0 HA GLN A 95 3.125 1.192 -11.451 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.228 3.632 -10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.483 3.479 -10.362 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.652 2.355 -8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.441 1.049 -9.301 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.623 0.679 -9.053 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.647 1.622 -7.966 1.00 0.00 H new ATOM 1468 N SER A 96 0.939 0.179 -11.969 1.00 0.00 N ATOM 1469 CA SER A 96 -0.345 -0.455 -12.257 1.00 0.00 C ATOM 1470 C SER A 96 -1.130 -0.736 -10.975 1.00 0.00 C ATOM 1471 O SER A 96 -0.551 -0.891 -9.900 1.00 0.00 O ATOM 1472 CB SER A 96 -0.131 -1.758 -13.030 1.00 0.00 C ATOM 1473 OG SER A 96 -1.287 -2.107 -13.772 1.00 0.00 O ATOM 0 H SER A 96 1.704 -0.474 -11.800 1.00 0.00 H new ATOM 0 HA SER A 96 -0.926 0.236 -12.867 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.718 -1.649 -13.704 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.115 -2.561 -12.335 1.00 0.00 H new ATOM 0 HG SER A 96 -1.849 -1.314 -13.894 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.455 -0.803 -11.104 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.336 -1.069 -9.968 1.00 0.00 C ATOM 1481 C HIS A 97 -3.078 -0.090 -8.823 1.00 0.00 C ATOM 1482 O HIS A 97 -2.687 -0.489 -7.724 1.00 0.00 O ATOM 1483 CB HIS A 97 -3.152 -2.510 -9.482 1.00 0.00 C ATOM 1484 CG HIS A 97 -4.183 -3.455 -10.016 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -5.095 -4.107 -9.212 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -4.447 -3.856 -11.283 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -5.873 -4.868 -9.961 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.501 -4.733 -11.220 1.00 0.00 N ATOM 0 H HIS A 97 -2.944 -0.676 -11.990 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.365 -0.933 -10.302 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.162 -2.861 -9.775 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.186 -2.525 -8.393 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.926 -3.544 -12.176 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.677 -5.494 -9.604 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.928 -5.204 -12.018 1.00 0.00 H new ATOM 1497 N VAL A 98 -3.305 1.194 -9.083 1.00 0.00 N ATOM 1498 CA VAL A 98 -3.096 2.221 -8.067 1.00 0.00 C ATOM 1499 C VAL A 98 -4.368 3.031 -7.835 1.00 0.00 C ATOM 1500 O VAL A 98 -5.192 3.167 -8.735 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.926 3.160 -8.452 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -2.324 4.134 -9.548 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.413 3.923 -7.245 1.00 0.00 C ATOM 0 H VAL A 98 -3.632 1.547 -9.983 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.836 1.713 -7.138 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.125 2.526 -8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.477 4.775 -9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.624 3.579 -10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.157 4.748 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.592 4.573 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.219 4.526 -6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.059 3.218 -6.493 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.518 3.567 -6.629 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.687 4.368 -6.285 1.00 0.00 C ATOM 1515 C LEU A 99 -5.270 5.798 -5.968 1.00 0.00 C ATOM 1516 O LEU A 99 -4.235 6.023 -5.339 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.419 3.762 -5.086 1.00 0.00 C ATOM 1518 CG LEU A 99 -7.107 2.425 -5.361 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.156 1.271 -5.087 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.369 2.293 -4.519 1.00 0.00 C ATOM 0 H LEU A 99 -3.843 3.461 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.363 4.375 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.705 3.626 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.167 4.474 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.391 2.392 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.662 0.327 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.282 1.359 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.841 1.299 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.847 1.336 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.108 2.347 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.057 3.102 -4.765 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.063 6.769 -6.413 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.734 8.170 -6.168 1.00 0.00 C ATOM 1534 C LEU A 100 -6.931 8.970 -5.662 1.00 0.00 C ATOM 1535 O LEU A 100 -8.064 8.774 -6.104 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.160 8.809 -7.434 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.638 8.970 -7.430 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.153 9.578 -8.733 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.196 9.825 -6.250 1.00 0.00 C ATOM 0 H LEU A 100 -6.925 6.616 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.981 8.191 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.446 8.203 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.616 9.790 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.194 7.980 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.068 9.682 -8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.434 8.930 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.608 10.559 -8.868 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.111 9.929 -6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.656 10.810 -6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.504 9.348 -5.320 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.655 9.884 -4.733 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.680 10.744 -4.150 1.00 0.00 C ATOM 1553 C ALA A 101 -7.071 12.064 -3.697 1.00 0.00 C ATOM 1554 O ALA A 101 -5.860 12.161 -3.515 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.354 10.061 -2.973 1.00 0.00 C ATOM 0 H ALA A 101 -5.718 10.048 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.430 10.940 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.114 10.722 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.822 9.136 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.610 9.835 -2.209 1.00 0.00 H new ATOM 1561 N THR A 102 -7.909 13.077 -3.512 1.00 0.00 N ATOM 1562 CA THR A 102 -7.431 14.386 -3.076 1.00 0.00 C ATOM 1563 C THR A 102 -8.048 14.775 -1.735 1.00 0.00 C ATOM 1564 O THR A 102 -9.265 14.716 -1.557 1.00 0.00 O ATOM 1565 CB THR A 102 -7.749 15.446 -4.131 1.00 0.00 C ATOM 1566 OG1 THR A 102 -7.600 16.750 -3.594 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.152 15.336 -4.689 1.00 0.00 C ATOM 0 H THR A 102 -8.917 13.020 -3.656 1.00 0.00 H new ATOM 0 HA THR A 102 -6.350 14.327 -2.949 1.00 0.00 H new ATOM 0 HB THR A 102 -7.040 15.269 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.719 16.831 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.310 16.118 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.282 14.360 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 102 -9.875 15.451 -3.881 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.197 15.176 -0.792 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.674 15.571 0.522 1.00 0.00 C ATOM 1577 C GLY A 103 -8.424 16.889 0.495 1.00 0.00 C ATOM 1578 O GLY A 103 -9.178 17.162 -0.439 1.00 0.00 O ATOM 0 H GLY A 103 -6.186 15.234 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.327 14.793 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.827 15.652 1.203 1.00 0.00 H new ATOM 1582 N PHE A 104 -8.217 17.706 1.522 1.00 0.00 N ATOM 1583 CA PHE A 104 -8.878 19.002 1.614 1.00 0.00 C ATOM 1584 C PHE A 104 -8.075 19.963 2.486 1.00 0.00 C ATOM 1585 O PHE A 104 -7.866 21.119 2.124 1.00 0.00 O ATOM 1586 CB PHE A 104 -10.291 18.839 2.178 1.00 0.00 C ATOM 1587 CG PHE A 104 -11.316 19.690 1.485 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -11.662 19.445 0.166 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -11.933 20.737 2.153 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -12.605 20.227 -0.474 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -12.876 21.521 1.518 1.00 0.00 C ATOM 1592 CZ PHE A 104 -13.212 21.267 0.202 1.00 0.00 C ATOM 0 H PHE A 104 -7.596 17.493 2.303 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.942 19.421 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.586 17.793 2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.281 19.089 3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -11.190 18.634 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -11.673 20.942 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -12.867 20.025 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.351 22.332 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 104 -13.948 21.880 -0.297 1.00 0.00 H new ATOM 1602 N SER A 105 -7.627 19.472 3.638 1.00 0.00 N ATOM 1603 CA SER A 105 -6.846 20.286 4.562 1.00 0.00 C ATOM 1604 C SER A 105 -5.545 19.583 4.936 1.00 0.00 C ATOM 1605 O SER A 105 -5.547 18.611 5.692 1.00 0.00 O ATOM 1606 CB SER A 105 -7.656 20.585 5.824 1.00 0.00 C ATOM 1607 OG SER A 105 -8.604 19.563 6.075 1.00 0.00 O ATOM 0 H SER A 105 -7.791 18.516 3.953 1.00 0.00 H new ATOM 0 HA SER A 105 -6.604 21.225 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.984 20.680 6.677 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.168 21.541 5.713 1.00 0.00 H new ATOM 0 HG SER A 105 -9.108 19.777 6.888 1.00 0.00 H new ATOM 1613 N GLU A 106 -4.433 20.082 4.404 1.00 0.00 N ATOM 1614 CA GLU A 106 -3.124 19.502 4.682 1.00 0.00 C ATOM 1615 C GLU A 106 -3.052 18.056 4.190 1.00 0.00 C ATOM 1616 O GLU A 106 -3.752 17.184 4.707 1.00 0.00 O ATOM 1617 CB GLU A 106 -2.829 19.557 6.182 1.00 0.00 C ATOM 1618 CG GLU A 106 -1.398 19.954 6.506 1.00 0.00 C ATOM 1619 CD GLU A 106 -1.281 21.401 6.944 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -2.203 21.890 7.629 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -0.266 22.045 6.602 1.00 0.00 O ATOM 0 H GLU A 106 -4.413 20.887 3.778 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.374 20.086 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.510 20.267 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.035 18.580 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.015 19.307 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.772 19.792 5.629 1.00 0.00 H new ATOM 1628 N PRO A 107 -2.204 17.777 3.183 1.00 0.00 N ATOM 1629 CA PRO A 107 -2.053 16.426 2.632 1.00 0.00 C ATOM 1630 C PRO A 107 -1.385 15.472 3.616 1.00 0.00 C ATOM 1631 O PRO A 107 -1.751 14.300 3.706 1.00 0.00 O ATOM 1632 CB PRO A 107 -1.164 16.637 1.405 1.00 0.00 C ATOM 1633 CG PRO A 107 -0.403 17.883 1.696 1.00 0.00 C ATOM 1634 CD PRO A 107 -1.327 18.751 2.503 1.00 0.00 C ATOM 0 HA PRO A 107 -3.016 15.971 2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.494 15.791 1.252 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.760 16.740 0.498 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.509 17.663 2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.104 18.382 0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.779 19.366 3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.897 19.430 1.869 1.00 0.00 H new ATOM 1642 N GLY A 108 -0.403 15.981 4.352 1.00 0.00 N ATOM 1643 CA GLY A 108 0.300 15.161 5.321 1.00 0.00 C ATOM 1644 C GLY A 108 1.676 14.744 4.839 1.00 0.00 C ATOM 1645 O GLY A 108 1.961 14.787 3.642 1.00 0.00 O ATOM 0 H GLY A 108 -0.081 16.947 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.398 15.712 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.291 14.271 5.536 1.00 0.00 H new ATOM 1649 N ASP A 109 2.530 14.340 5.773 1.00 0.00 N ATOM 1650 CA ASP A 109 3.883 13.913 5.438 1.00 0.00 C ATOM 1651 C ASP A 109 3.872 12.539 4.775 1.00 0.00 C ATOM 1652 O ASP A 109 4.172 12.408 3.589 1.00 0.00 O ATOM 1653 CB ASP A 109 4.757 13.884 6.695 1.00 0.00 C ATOM 1654 CG ASP A 109 6.001 14.738 6.555 1.00 0.00 C ATOM 1655 OD1 ASP A 109 5.960 15.723 5.788 1.00 0.00 O ATOM 1656 OD2 ASP A 109 7.016 14.422 7.212 1.00 0.00 O ATOM 0 H ASP A 109 2.309 14.299 6.768 1.00 0.00 H new ATOM 0 HA ASP A 109 4.301 14.631 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.174 14.233 7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.048 12.855 6.908 1.00 0.00 H new ATOM 1661 N ALA A 110 3.522 11.518 5.551 1.00 0.00 N ATOM 1662 CA ALA A 110 3.469 10.154 5.039 1.00 0.00 C ATOM 1663 C ALA A 110 2.033 9.728 4.754 1.00 0.00 C ATOM 1664 O ALA A 110 1.112 10.543 4.803 1.00 0.00 O ATOM 1665 CB ALA A 110 4.119 9.196 6.027 1.00 0.00 C ATOM 0 H ALA A 110 3.271 11.610 6.535 1.00 0.00 H new ATOM 0 HA ALA A 110 4.021 10.123 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.073 8.181 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.161 9.480 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.590 9.240 6.979 1.00 0.00 H new ATOM 1671 N GLY A 111 1.850 8.447 4.454 1.00 0.00 N ATOM 1672 CA GLY A 111 0.524 7.935 4.164 1.00 0.00 C ATOM 1673 C GLY A 111 0.261 6.597 4.827 1.00 0.00 C ATOM 1674 O GLY A 111 -0.798 6.388 5.418 1.00 0.00 O ATOM 0 H GLY A 111 2.597 7.754 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.222 8.656 4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.406 7.832 3.085 1.00 0.00 H new ATOM 1678 N GLY A 112 1.228 5.690 4.727 1.00 0.00 N ATOM 1679 CA GLY A 112 1.076 4.377 5.326 1.00 0.00 C ATOM 1680 C GLY A 112 0.331 3.412 4.427 1.00 0.00 C ATOM 1681 O GLY A 112 0.730 3.180 3.286 1.00 0.00 O ATOM 0 H GLY A 112 2.113 5.841 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.061 3.969 5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.543 4.472 6.272 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.756 2.844 4.942 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.558 1.899 4.177 1.00 0.00 C ATOM 1687 C ILE A 113 -3.024 2.322 4.142 1.00 0.00 C ATOM 1688 O ILE A 113 -3.550 2.852 5.120 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.461 0.477 4.763 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.948 0.464 6.214 1.00 0.00 C ATOM 1691 CG2 ILE A 113 -0.033 -0.041 4.674 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -1.885 -0.902 6.863 1.00 0.00 C ATOM 0 H ILE A 113 -1.100 3.023 5.885 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.159 1.895 3.163 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.102 -0.183 4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.346 1.162 6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.976 0.825 6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.016 -1.046 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.280 -0.067 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.629 0.618 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.245 -0.834 7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.509 -1.599 6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.855 -1.258 6.863 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.680 2.076 3.012 1.00 0.00 N ATOM 1705 CA LEU A 114 -5.088 2.426 2.855 1.00 0.00 C ATOM 1706 C LEU A 114 -5.972 1.285 3.345 1.00 0.00 C ATOM 1707 O LEU A 114 -5.976 0.197 2.767 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.398 2.746 1.388 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.887 2.865 1.042 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.605 3.756 2.043 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -7.062 3.399 -0.371 1.00 0.00 C ATOM 0 H LEU A 114 -3.260 1.636 2.193 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.296 3.312 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.905 3.682 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.958 1.969 0.763 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.331 1.871 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.660 3.826 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.510 3.331 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.161 4.751 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.124 3.478 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.600 4.383 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.587 2.719 -1.078 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.712 1.533 4.420 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.588 0.518 4.992 1.00 0.00 C ATOM 1725 C ARG A 115 -9.056 0.908 4.863 1.00 0.00 C ATOM 1726 O ARG A 115 -9.417 2.078 4.993 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.240 0.289 6.463 1.00 0.00 C ATOM 1728 CG ARG A 115 -5.826 -0.231 6.679 1.00 0.00 C ATOM 1729 CD ARG A 115 -5.813 -1.492 7.530 1.00 0.00 C ATOM 1730 NE ARG A 115 -5.329 -1.233 8.884 1.00 0.00 N ATOM 1731 CZ ARG A 115 -4.998 -2.189 9.750 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -5.100 -3.468 9.406 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -4.566 -1.867 10.961 1.00 0.00 N ATOM 0 H ARG A 115 -6.723 2.426 4.912 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.433 -0.405 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.361 1.226 7.007 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.949 -0.421 6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.363 -0.439 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.225 0.540 7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.820 -1.907 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.181 -2.243 7.056 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.239 -0.262 9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.433 -3.721 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.845 -4.197 10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.487 -0.886 11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.313 -2.600 11.624 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.896 -0.091 4.616 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.332 0.121 4.478 1.00 0.00 C ATOM 1749 C CYS A 116 -12.064 -0.428 5.696 1.00 0.00 C ATOM 1750 O CYS A 116 -11.505 -1.210 6.464 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.846 -0.569 3.212 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.455 0.053 2.616 1.00 0.00 S ATOM 0 H CYS A 116 -9.604 -1.062 4.507 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.521 1.192 4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -11.107 -0.447 2.420 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.932 -1.638 3.405 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.319 -0.027 5.864 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.121 -0.497 6.987 1.00 0.00 C ATOM 1759 C GLU A 117 -14.184 -2.024 7.005 1.00 0.00 C ATOM 1760 O GLU A 117 -14.480 -2.630 8.034 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.535 0.084 6.910 1.00 0.00 C ATOM 1762 CG GLU A 117 -15.639 1.505 7.443 1.00 0.00 C ATOM 1763 CD GLU A 117 -16.385 2.429 6.499 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -17.127 1.920 5.633 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -16.226 3.661 6.626 1.00 0.00 O ATOM 0 H GLU A 117 -13.801 0.620 5.240 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.648 -0.158 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.869 0.069 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -16.213 -0.557 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.146 1.491 8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.637 1.899 7.615 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.907 -2.637 5.856 1.00 0.00 N ATOM 1773 CA HIS A 118 -13.934 -4.088 5.734 1.00 0.00 C ATOM 1774 C HIS A 118 -12.570 -4.699 6.059 1.00 0.00 C ATOM 1775 O HIS A 118 -12.491 -5.781 6.641 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.364 -4.483 4.319 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.657 -3.857 3.893 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.791 -2.510 3.625 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.880 -4.401 3.687 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -17.037 -2.253 3.274 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.720 -3.383 3.303 1.00 0.00 N ATOM 0 H HIS A 118 -13.661 -2.147 4.996 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.655 -4.476 6.454 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.581 -4.197 3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.459 -5.568 4.266 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -15.043 -1.820 3.688 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.146 -5.441 3.803 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.431 -1.283 3.008 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.499 -4.003 5.682 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.159 -4.503 5.947 1.00 0.00 C ATOM 1791 C GLY A 119 -9.074 -3.603 5.390 1.00 0.00 C ATOM 1792 O GLY A 119 -9.141 -2.383 5.516 1.00 0.00 O ATOM 0 H GLY A 119 -11.535 -3.105 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.021 -4.607 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.056 -5.498 5.515 1.00 0.00 H new ATOM 1796 N VAL A 120 -8.071 -4.216 4.772 1.00 0.00 N ATOM 1797 CA VAL A 120 -6.956 -3.480 4.185 1.00 0.00 C ATOM 1798 C VAL A 120 -7.098 -3.394 2.669 1.00 0.00 C ATOM 1799 O VAL A 120 -7.419 -4.382 2.012 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.598 -4.135 4.514 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.461 -3.165 4.247 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.558 -4.628 5.953 1.00 0.00 C ATOM 0 H VAL A 120 -8.007 -5.228 4.664 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.982 -2.480 4.619 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.475 -5.000 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.511 -3.644 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.469 -2.876 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.586 -2.278 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.589 -5.084 6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.711 -3.788 6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.345 -5.366 6.107 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.859 -2.209 2.115 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.962 -2.010 0.675 1.00 0.00 C ATOM 1814 C ILE A 121 -5.604 -2.169 -0.004 1.00 0.00 C ATOM 1815 O ILE A 121 -5.376 -3.133 -0.736 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.531 -0.619 0.333 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.889 -0.412 1.031 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.636 -0.446 -1.181 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -10.081 -0.308 0.096 1.00 0.00 C ATOM 0 H ILE A 121 -6.594 -1.376 2.640 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.645 -2.774 0.304 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.851 0.148 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.057 -1.241 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.837 0.496 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.039 0.541 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.647 -0.545 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.297 -1.210 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.990 -0.164 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.943 0.539 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.167 -1.225 -0.488 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.708 -1.214 0.233 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.394 -1.272 -0.380 1.00 0.00 C ATOM 1833 C GLY A 122 -2.315 -0.603 0.452 1.00 0.00 C ATOM 1834 O GLY A 122 -2.475 -0.409 1.657 1.00 0.00 O ATOM 0 H GLY A 122 -4.868 -0.406 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.123 -2.315 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.436 -0.796 -1.359 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.207 -0.254 -0.200 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.085 0.393 0.471 1.00 0.00 C ATOM 1840 C LEU A 123 0.219 1.749 -0.163 1.00 0.00 C ATOM 1841 O LEU A 123 -0.245 2.047 -1.260 1.00 0.00 O ATOM 1842 CB LEU A 123 1.156 -0.500 0.411 1.00 0.00 C ATOM 1843 CG LEU A 123 1.515 -1.020 -0.982 1.00 0.00 C ATOM 1844 CD1 LEU A 123 3.019 -1.206 -1.111 1.00 0.00 C ATOM 1845 CD2 LEU A 123 0.787 -2.326 -1.265 1.00 0.00 C ATOM 0 H LEU A 123 -1.064 -0.410 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.360 0.552 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.006 0.059 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.003 -1.353 1.072 1.00 0.00 H new ATOM 0 HG LEU A 123 1.197 -0.282 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.256 -1.576 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.519 -0.251 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.362 -1.924 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.053 -2.683 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.075 -3.071 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.289 -2.161 -1.215 1.00 0.00 H new ATOM 1857 N VAL A 124 0.991 2.570 0.539 1.00 0.00 N ATOM 1858 CA VAL A 124 1.346 3.896 0.043 1.00 0.00 C ATOM 1859 C VAL A 124 2.151 3.820 -1.254 1.00 0.00 C ATOM 1860 O VAL A 124 3.226 3.223 -1.295 1.00 0.00 O ATOM 1861 CB VAL A 124 2.158 4.684 1.091 1.00 0.00 C ATOM 1862 CG1 VAL A 124 3.455 3.961 1.420 1.00 0.00 C ATOM 1863 CG2 VAL A 124 2.436 6.100 0.602 1.00 0.00 C ATOM 0 H VAL A 124 1.383 2.342 1.453 1.00 0.00 H new ATOM 0 HA VAL A 124 0.408 4.414 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 124 1.566 4.750 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.013 4.534 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.229 2.972 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.054 3.858 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.010 6.639 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.005 6.059 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.492 6.616 0.427 1.00 0.00 H new ATOM 1873 N THR A 125 1.628 4.445 -2.309 1.00 0.00 N ATOM 1874 CA THR A 125 2.305 4.466 -3.603 1.00 0.00 C ATOM 1875 C THR A 125 2.775 5.886 -3.927 1.00 0.00 C ATOM 1876 O THR A 125 3.881 6.276 -3.551 1.00 0.00 O ATOM 1877 CB THR A 125 1.384 3.921 -4.705 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.330 2.509 -4.653 1.00 0.00 O ATOM 1879 CG2 THR A 125 1.811 4.305 -6.110 1.00 0.00 C ATOM 0 H THR A 125 0.738 4.943 -2.292 1.00 0.00 H new ATOM 0 HA THR A 125 3.181 3.819 -3.553 1.00 0.00 H new ATOM 0 HB THR A 125 0.412 4.372 -4.507 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.240 2.146 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.111 3.883 -6.831 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.818 5.391 -6.204 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.811 3.917 -6.305 1.00 0.00 H new ATOM 1887 N MET A 126 1.938 6.662 -4.617 1.00 0.00 N ATOM 1888 CA MET A 126 2.299 8.033 -4.961 1.00 0.00 C ATOM 1889 C MET A 126 1.797 9.006 -3.900 1.00 0.00 C ATOM 1890 O MET A 126 0.899 8.683 -3.124 1.00 0.00 O ATOM 1891 CB MET A 126 1.733 8.410 -6.332 1.00 0.00 C ATOM 1892 CG MET A 126 2.805 8.734 -7.360 1.00 0.00 C ATOM 1893 SD MET A 126 3.549 10.357 -7.104 1.00 0.00 S ATOM 1894 CE MET A 126 5.154 9.899 -6.452 1.00 0.00 C ATOM 0 H MET A 126 1.018 6.368 -4.944 1.00 0.00 H new ATOM 0 HA MET A 126 3.386 8.096 -5.002 1.00 0.00 H new ATOM 0 HB2 MET A 126 1.121 7.588 -6.703 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.075 9.272 -6.221 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.583 7.972 -7.320 1.00 0.00 H new ATOM 0 HG3 MET A 126 2.369 8.692 -8.358 1.00 0.00 H new ATOM 0 HE1 MET A 126 5.305 10.381 -5.486 1.00 0.00 H new ATOM 0 HE2 MET A 126 5.201 8.817 -6.329 1.00 0.00 H new ATOM 0 HE3 MET A 126 5.933 10.220 -7.144 1.00 0.00 H new ATOM 1904 N GLY A 127 2.384 10.197 -3.870 1.00 0.00 N ATOM 1905 CA GLY A 127 1.982 11.195 -2.898 1.00 0.00 C ATOM 1906 C GLY A 127 2.168 12.609 -3.410 1.00 0.00 C ATOM 1907 O GLY A 127 3.219 13.217 -3.208 1.00 0.00 O ATOM 0 H GLY A 127 3.130 10.489 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.935 11.041 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 127 2.562 11.063 -1.985 1.00 0.00 H new ATOM 1911 N GLY A 128 1.144 13.135 -4.076 1.00 0.00 N ATOM 1912 CA GLY A 128 1.222 14.482 -4.606 1.00 0.00 C ATOM 1913 C GLY A 128 1.029 15.535 -3.537 1.00 0.00 C ATOM 1914 O GLY A 128 0.894 15.215 -2.356 1.00 0.00 O ATOM 0 H GLY A 128 0.264 12.652 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.191 14.626 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 128 0.464 14.610 -5.379 1.00 0.00 H new ATOM 1918 N GLU A 129 1.016 16.796 -3.950 1.00 0.00 N ATOM 1919 CA GLU A 129 0.837 17.903 -3.018 1.00 0.00 C ATOM 1920 C GLU A 129 -0.599 17.959 -2.504 1.00 0.00 C ATOM 1921 O GLU A 129 -0.873 18.571 -1.471 1.00 0.00 O ATOM 1922 CB GLU A 129 1.194 19.224 -3.698 1.00 0.00 C ATOM 1923 CG GLU A 129 0.510 19.418 -5.041 1.00 0.00 C ATOM 1924 CD GLU A 129 -0.525 20.526 -5.015 1.00 0.00 C ATOM 1925 OE1 GLU A 129 -0.304 21.529 -4.303 1.00 0.00 O ATOM 1926 OE2 GLU A 129 -1.556 20.392 -5.706 1.00 0.00 O ATOM 0 H GLU A 129 1.127 17.078 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 129 1.501 17.742 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 129 0.922 20.048 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 129 2.274 19.271 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 129 1.261 19.646 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.031 18.485 -5.338 1.00 0.00 H new ATOM 1933 N GLY A 130 -1.513 17.319 -3.228 1.00 0.00 N ATOM 1934 CA GLY A 130 -2.907 17.316 -2.823 1.00 0.00 C ATOM 1935 C GLY A 130 -3.607 15.988 -3.072 1.00 0.00 C ATOM 1936 O GLY A 130 -4.758 15.811 -2.671 1.00 0.00 O ATOM 0 H GLY A 130 -1.314 16.804 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.970 17.558 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.435 18.103 -3.361 1.00 0.00 H new ATOM 1940 N VAL A 131 -2.926 15.052 -3.732 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.515 13.748 -4.023 1.00 0.00 C ATOM 1942 C VAL A 131 -2.763 12.628 -3.309 1.00 0.00 C ATOM 1943 O VAL A 131 -1.595 12.780 -2.949 1.00 0.00 O ATOM 1944 CB VAL A 131 -3.553 13.441 -5.540 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -4.972 13.117 -5.982 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -2.988 14.594 -6.357 1.00 0.00 C ATOM 0 H VAL A 131 -1.972 15.172 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.540 13.794 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 131 -2.923 12.570 -5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -4.980 12.904 -7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.333 12.246 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.620 13.969 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -3.030 14.344 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.576 15.493 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.952 14.772 -6.067 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.445 11.503 -3.106 1.00 0.00 N ATOM 1957 CA VAL A 132 -2.851 10.355 -2.432 1.00 0.00 C ATOM 1958 C VAL A 132 -2.833 9.122 -3.336 1.00 0.00 C ATOM 1959 O VAL A 132 -3.880 8.630 -3.747 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.620 10.019 -1.135 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.737 11.248 -0.250 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -5.001 9.458 -1.448 1.00 0.00 C ATOM 0 H VAL A 132 -4.412 11.364 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.824 10.627 -2.186 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.056 9.256 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -4.282 10.992 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.741 11.604 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.273 12.032 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.521 9.230 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.573 10.194 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.899 8.548 -2.039 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.637 8.618 -3.628 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.513 7.439 -4.470 1.00 0.00 C ATOM 1974 C GLY A 133 -1.264 6.183 -3.653 1.00 0.00 C ATOM 1975 O GLY A 133 -0.280 6.101 -2.919 1.00 0.00 O ATOM 0 H GLY A 133 -0.752 9.004 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.423 7.315 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.694 7.581 -5.176 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.165 5.209 -3.762 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.037 3.965 -3.007 1.00 0.00 C ATOM 1981 C PHE A 134 -2.069 2.736 -3.917 1.00 0.00 C ATOM 1982 O PHE A 134 -2.893 2.643 -4.823 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.161 3.866 -1.973 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.238 5.046 -1.041 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.083 5.637 -0.553 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.465 5.556 -0.647 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.152 6.715 0.309 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.538 6.636 0.213 1.00 0.00 C ATOM 1989 CZ PHE A 134 -3.380 7.215 0.692 1.00 0.00 C ATOM 0 H PHE A 134 -2.988 5.257 -4.363 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.069 3.984 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.113 3.764 -2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.021 2.959 -1.385 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.119 5.251 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.374 5.105 -1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.245 7.166 0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.500 7.026 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.435 8.058 1.365 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.177 1.784 -3.650 1.00 0.00 N ATOM 2000 CA ALA A 135 -1.112 0.548 -4.426 1.00 0.00 C ATOM 2001 C ALA A 135 -2.035 -0.502 -3.821 1.00 0.00 C ATOM 2002 O ALA A 135 -1.818 -0.955 -2.698 1.00 0.00 O ATOM 2003 CB ALA A 135 0.317 0.027 -4.478 1.00 0.00 C ATOM 0 H ALA A 135 -0.488 1.846 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.440 0.759 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.347 -0.894 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.959 0.773 -4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.669 -0.172 -3.466 1.00 0.00 H new ATOM 2009 N ASP A 136 -3.073 -0.874 -4.562 1.00 0.00 N ATOM 2010 CA ASP A 136 -4.038 -1.858 -4.083 1.00 0.00 C ATOM 2011 C ASP A 136 -3.420 -3.249 -3.964 1.00 0.00 C ATOM 2012 O ASP A 136 -2.634 -3.668 -4.814 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.249 -1.905 -5.016 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.558 -2.005 -4.257 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -6.541 -2.480 -3.102 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.601 -1.610 -4.819 1.00 0.00 O ATOM 0 H ASP A 136 -3.268 -0.510 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.356 -1.549 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -5.260 -1.010 -5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.155 -2.759 -5.687 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.803 -3.965 -2.908 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.313 -5.321 -2.673 1.00 0.00 C ATOM 2023 C VAL A 137 -4.221 -6.349 -3.357 1.00 0.00 C ATOM 2024 O VAL A 137 -4.092 -7.553 -3.141 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.229 -5.628 -1.158 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.770 -7.058 -0.907 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.301 -4.644 -0.460 1.00 0.00 C ATOM 0 H VAL A 137 -4.454 -3.626 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.312 -5.389 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.231 -5.518 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.721 -7.241 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.477 -7.752 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.783 -7.206 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.256 -4.878 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.302 -4.718 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.679 -3.630 -0.593 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.142 -5.863 -4.187 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.069 -6.731 -4.901 1.00 0.00 C ATOM 2039 C ARG A 138 -5.361 -7.533 -5.994 1.00 0.00 C ATOM 2040 O ARG A 138 -5.966 -8.407 -6.617 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.199 -5.902 -5.515 1.00 0.00 C ATOM 2042 CG ARG A 138 -7.877 -4.966 -4.525 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.297 -5.414 -4.211 1.00 0.00 C ATOM 2044 NE ARG A 138 -10.291 -4.641 -4.955 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.854 -5.045 -6.094 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.534 -6.217 -6.629 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.744 -4.272 -6.700 1.00 0.00 N ATOM 0 H ARG A 138 -5.264 -4.869 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.484 -7.436 -4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -6.799 -5.315 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -7.946 -6.576 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.295 -4.927 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -7.896 -3.956 -4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.405 -6.472 -4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -9.482 -5.310 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 138 -10.571 -3.735 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -9.851 -6.819 -6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.971 -6.516 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -11.997 -3.371 -6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -12.176 -4.579 -7.572 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.082 -7.238 -6.229 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.317 -7.941 -7.252 1.00 0.00 C ATOM 2063 C ASP A 139 -2.509 -9.090 -6.650 1.00 0.00 C ATOM 2064 O ASP A 139 -1.650 -9.669 -7.314 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.381 -6.970 -7.973 1.00 0.00 C ATOM 2066 CG ASP A 139 -2.136 -7.369 -9.415 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -3.090 -7.307 -10.219 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -0.989 -7.742 -9.742 1.00 0.00 O ATOM 0 H ASP A 139 -3.559 -6.521 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 139 -4.024 -8.360 -7.968 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.808 -5.968 -7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.429 -6.926 -7.444 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.788 -9.416 -5.390 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.085 -10.494 -4.708 1.00 0.00 C ATOM 2075 C LEU A 140 -2.636 -10.683 -3.300 1.00 0.00 C ATOM 2076 O LEU A 140 -1.906 -10.597 -2.317 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.570 -10.218 -4.667 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.108 -8.947 -3.924 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.191 -7.882 -3.886 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.339 -9.284 -2.513 1.00 0.00 C ATOM 0 H LEU A 140 -3.495 -8.948 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.246 -11.416 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.082 -11.076 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.209 -10.160 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 140 0.737 -8.541 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -0.821 -7.006 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.461 -7.601 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.069 -8.274 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.661 -8.374 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.491 -9.730 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 140 1.169 -9.990 -2.553 1.00 0.00 H new ATOM 2092 N LEU A 141 -3.937 -10.935 -3.212 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.592 -11.127 -1.925 1.00 0.00 C ATOM 2094 C LEU A 141 -4.269 -12.491 -1.320 1.00 0.00 C ATOM 2095 O LEU A 141 -4.511 -12.721 -0.135 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.105 -10.966 -2.068 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.725 -9.901 -1.161 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.129 -9.965 0.237 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.543 -8.514 -1.765 1.00 0.00 C ATOM 0 H LEU A 141 -4.559 -11.011 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.209 -10.363 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.334 -10.718 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.580 -11.924 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.793 -10.102 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.586 -9.198 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.320 -10.947 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.054 -9.795 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -6.990 -7.769 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.480 -8.304 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -7.029 -8.475 -2.740 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.730 -13.395 -2.133 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.384 -14.735 -1.666 1.00 0.00 C ATOM 2113 C TRP A 142 -2.437 -14.677 -0.468 1.00 0.00 C ATOM 2114 O TRP A 142 -1.223 -14.805 -0.616 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.754 -15.559 -2.796 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.593 -14.887 -3.468 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.637 -13.818 -4.318 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.213 -15.251 -3.353 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.368 -13.488 -4.726 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.522 -14.354 -4.149 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.472 -16.245 -2.650 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.907 -14.422 -4.260 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.849 -16.312 -2.763 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.553 -15.404 -3.561 1.00 0.00 C ATOM 0 H TRP A 142 -3.523 -13.225 -3.117 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.307 -15.221 -1.349 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.423 -16.516 -2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.518 -15.775 -3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.538 -13.307 -4.624 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.128 -12.723 -5.356 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.064 -16.948 -2.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.453 -13.724 -4.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.389 -17.078 -2.226 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.628 -15.480 -3.626 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.010 -14.490 0.720 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.235 -14.422 1.955 1.00 0.00 C ATOM 2137 C LEU A 143 -3.057 -14.943 3.130 1.00 0.00 C ATOM 2138 O LEU A 143 -2.569 -15.727 3.945 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.776 -12.986 2.240 1.00 0.00 C ATOM 2140 CG LEU A 143 -0.898 -12.340 1.162 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.762 -11.645 0.125 1.00 0.00 C ATOM 2142 CD2 LEU A 143 0.075 -11.351 1.786 1.00 0.00 C ATOM 0 H LEU A 143 -4.016 -14.382 0.852 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.353 -15.049 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.660 -12.364 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.226 -12.980 3.181 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.324 -13.125 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.125 -11.191 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.423 -12.373 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.359 -10.871 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.689 -10.903 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.482 -10.569 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.716 -11.871 2.498 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.310 -14.503 3.211 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.204 -14.925 4.282 1.00 0.00 C ATOM 2156 C GLU A 144 -6.662 -14.826 3.840 1.00 0.00 C ATOM 2157 O GLU A 144 -6.952 -14.659 2.656 1.00 0.00 O ATOM 2158 CB GLU A 144 -4.973 -14.072 5.533 1.00 0.00 C ATOM 2159 CG GLU A 144 -4.368 -14.846 6.694 1.00 0.00 C ATOM 2160 CD GLU A 144 -5.316 -14.971 7.871 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -6.242 -15.807 7.800 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -5.133 -14.233 8.861 1.00 0.00 O ATOM 0 H GLU A 144 -4.728 -13.853 2.546 1.00 0.00 H new ATOM 0 HA GLU A 144 -4.986 -15.966 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -4.315 -13.241 5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -5.923 -13.642 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -4.085 -15.842 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -3.454 -14.349 7.020 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.577 -14.933 4.800 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.004 -14.856 4.507 1.00 0.00 C ATOM 2171 C ASP A 145 -9.356 -13.525 3.847 1.00 0.00 C ATOM 2172 O ASP A 145 -8.821 -12.478 4.214 1.00 0.00 O ATOM 2173 CB ASP A 145 -9.819 -15.036 5.790 1.00 0.00 C ATOM 2174 CG ASP A 145 -10.970 -16.007 5.612 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -11.372 -16.246 4.454 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -11.469 -16.529 6.632 1.00 0.00 O ATOM 0 H ASP A 145 -7.355 -15.073 5.786 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.250 -15.659 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.165 -15.394 6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -10.209 -14.069 6.108 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.258 -13.575 2.873 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.685 -12.375 2.159 1.00 0.00 C ATOM 2183 C ASP A 146 -11.957 -11.801 2.775 1.00 0.00 C ATOM 2184 O ASP A 146 -12.741 -12.526 3.389 1.00 0.00 O ATOM 2185 CB ASP A 146 -10.916 -12.693 0.680 1.00 0.00 C ATOM 2186 CG ASP A 146 -11.784 -13.920 0.480 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -12.498 -14.303 1.429 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -11.748 -14.498 -0.628 1.00 0.00 O ATOM 0 H ASP A 146 -10.709 -14.434 2.559 1.00 0.00 H new ATOM 0 HA ASP A 146 -9.895 -11.629 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.386 -11.837 0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -9.955 -12.848 0.190 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.159 -10.497 2.610 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.337 -9.834 3.154 1.00 0.00 C ATOM 2195 C ALA A 147 -14.413 -9.662 2.088 1.00 0.00 C ATOM 2196 O ALA A 147 -14.159 -9.112 1.016 1.00 0.00 O ATOM 2197 CB ALA A 147 -12.960 -8.486 3.747 1.00 0.00 C ATOM 0 H ALA A 147 -11.523 -9.880 2.105 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.743 -10.465 3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -13.851 -8.003 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.233 -8.631 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -12.525 -7.856 2.971 1.00 0.00 H new ATOM 2203 N MET A 148 -15.616 -10.139 2.389 1.00 0.00 N ATOM 2204 CA MET A 148 -16.734 -10.039 1.458 1.00 0.00 C ATOM 2205 C MET A 148 -17.983 -9.518 2.162 1.00 0.00 C ATOM 2206 O MET A 148 -17.959 -9.234 3.359 1.00 0.00 O ATOM 2207 CB MET A 148 -17.022 -11.403 0.827 1.00 0.00 C ATOM 2208 CG MET A 148 -17.205 -12.518 1.845 1.00 0.00 C ATOM 2209 SD MET A 148 -16.470 -14.076 1.311 1.00 0.00 S ATOM 2210 CE MET A 148 -17.059 -15.183 2.589 1.00 0.00 C ATOM 0 H MET A 148 -15.842 -10.599 3.271 1.00 0.00 H new ATOM 0 HA MET A 148 -16.460 -9.334 0.674 1.00 0.00 H new ATOM 0 HB2 MET A 148 -17.922 -11.329 0.216 1.00 0.00 H new ATOM 0 HB3 MET A 148 -16.203 -11.665 0.157 1.00 0.00 H new ATOM 0 HG2 MET A 148 -16.758 -12.216 2.792 1.00 0.00 H new ATOM 0 HG3 MET A 148 -18.269 -12.667 2.027 1.00 0.00 H new ATOM 0 HE1 MET A 148 -16.687 -16.190 2.398 1.00 0.00 H new ATOM 0 HE2 MET A 148 -16.700 -14.842 3.560 1.00 0.00 H new ATOM 0 HE3 MET A 148 -18.149 -15.192 2.588 1.00 0.00 H new ATOM 2220 N GLU A 149 -19.072 -9.394 1.410 1.00 0.00 N ATOM 2221 CA GLU A 149 -20.330 -8.906 1.963 1.00 0.00 C ATOM 2222 C GLU A 149 -21.502 -9.752 1.479 1.00 0.00 C ATOM 2223 O GLU A 149 -21.353 -10.583 0.583 1.00 0.00 O ATOM 2224 CB GLU A 149 -20.549 -7.442 1.575 1.00 0.00 C ATOM 2225 CG GLU A 149 -20.267 -7.153 0.110 1.00 0.00 C ATOM 2226 CD GLU A 149 -21.237 -6.151 -0.484 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -22.443 -6.233 -0.168 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -20.792 -5.284 -1.266 1.00 0.00 O ATOM 0 H GLU A 149 -19.109 -9.624 0.417 1.00 0.00 H new ATOM 0 HA GLU A 149 -20.274 -8.983 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -21.579 -7.165 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -19.908 -6.812 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -19.250 -6.773 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -20.319 -8.083 -0.456 1.00 0.00 H new ATOM 2235 N GLN A 150 -22.668 -9.537 2.079 1.00 0.00 N ATOM 2236 CA GLN A 150 -23.868 -10.281 1.710 1.00 0.00 C ATOM 2237 C GLN A 150 -25.084 -9.362 1.665 1.00 0.00 C ATOM 2238 O GLN A 150 -26.119 -9.779 1.100 1.00 0.00 O ATOM 2239 CB GLN A 150 -24.111 -11.421 2.700 1.00 0.00 C ATOM 2240 CG GLN A 150 -22.925 -12.360 2.851 1.00 0.00 C ATOM 2241 CD GLN A 150 -22.996 -13.189 4.120 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -24.015 -13.815 4.409 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -21.910 -13.195 4.884 1.00 0.00 N ATOM 2244 OXT GLN A 150 -24.994 -8.236 2.195 1.00 0.00 O ATOM 0 H GLN A 150 -22.808 -8.854 2.823 1.00 0.00 H new ATOM 0 HA GLN A 150 -23.715 -10.700 0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -24.355 -10.999 3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -24.979 -11.995 2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -22.881 -13.025 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -22.003 -11.778 2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -21.087 -12.661 4.605 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -21.899 -13.734 5.750 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -14.834 -1.675 1.952 1.00 0.00 ZN