USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 806 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 38 THR OG1 : rot 180:sc= -0.855 USER MOD Set 1.2: A 40 GLN : amide:sc= -3.41 K(o=-4.3,f=-8.4!) USER MOD Set 1.3: A 41 GLN : amide:sc= 0.00223 X(o=-4.3,f=-4.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.0821 F(o=-1.4,f=-0.082) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -82:sc= 0.269 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.543 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0.553 (180deg=0.499) USER MOD Single : A 32 SER OG : rot 38:sc= 0.397 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -51:sc= 0.301 USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= 0.114 (180deg=0.0192) USER MOD Single : A 47 SER OG : rot 56:sc= 0.869 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -2.03! C(o=-2!,f=-6.1!) USER MOD Single : A 56 GLN :FLIP amide:sc= -2.11! F(o=-2.8,f=-2.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.047) USER MOD Single : A 75 CYS SG : rot 82:sc= -3.38! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.504 F(o=-1.3,f=-0.5) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.4) USER MOD Single : A 91 HIS : no HE2:sc= -3.18! C(o=-3.2!,f=-4.1!) USER MOD Single : A 94 MET CE :methyl -158:sc= -0.0571 (180deg=-0.487) USER MOD Single : A 96 ASN : amide:sc= -1.49! C(o=-1.5!,f=-8.6!) USER MOD Single : A 98 CYS SG : rot -64:sc= 0.662 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.769 5.752 23.234 1.00 0.00 N ATOM 2 CA GLY A 1 13.511 5.753 21.987 1.00 0.00 C ATOM 3 C GLY A 1 12.635 6.075 20.792 1.00 0.00 C ATOM 4 O GLY A 1 12.026 7.143 20.730 1.00 0.00 O ATOM 0 H1 GLY A 1 13.412 5.527 24.020 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.349 6.691 23.389 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.014 5.038 23.188 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.319 6.482 22.049 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.974 4.777 21.842 1.00 0.00 H new ATOM 8 N SER A 2 12.573 5.150 19.839 1.00 0.00 N ATOM 9 CA SER A 2 11.771 5.344 18.638 1.00 0.00 C ATOM 10 C SER A 2 10.282 5.252 18.958 1.00 0.00 C ATOM 11 O SER A 2 9.862 4.440 19.782 1.00 0.00 O ATOM 12 CB SER A 2 12.140 4.303 17.579 1.00 0.00 C ATOM 13 OG SER A 2 11.606 4.651 16.313 1.00 0.00 O ATOM 0 H SER A 2 13.069 4.259 19.876 1.00 0.00 H new ATOM 0 HA SER A 2 11.981 6.340 18.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.225 4.220 17.509 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.764 3.325 17.879 1.00 0.00 H new ATOM 0 HG SER A 2 11.857 3.971 15.654 1.00 0.00 H new ATOM 19 N SER A 3 9.489 6.092 18.301 1.00 0.00 N ATOM 20 CA SER A 3 8.047 6.111 18.518 1.00 0.00 C ATOM 21 C SER A 3 7.299 5.784 17.229 1.00 0.00 C ATOM 22 O SER A 3 7.864 5.846 16.138 1.00 0.00 O ATOM 23 CB SER A 3 7.606 7.478 19.044 1.00 0.00 C ATOM 24 OG SER A 3 8.353 7.848 20.190 1.00 0.00 O ATOM 0 H SER A 3 9.821 6.769 17.614 1.00 0.00 H new ATOM 0 HA SER A 3 7.807 5.350 19.260 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.733 8.229 18.265 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.545 7.451 19.291 1.00 0.00 H new ATOM 0 HG SER A 3 8.054 8.726 20.506 1.00 0.00 H new ATOM 30 N GLY A 4 6.024 5.435 17.364 1.00 0.00 N ATOM 31 CA GLY A 4 5.218 5.103 16.203 1.00 0.00 C ATOM 32 C GLY A 4 3.793 5.605 16.323 1.00 0.00 C ATOM 33 O GLY A 4 3.022 5.114 17.148 1.00 0.00 O ATOM 0 H GLY A 4 5.534 5.376 18.257 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.677 5.531 15.312 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.209 4.021 16.068 1.00 0.00 H new ATOM 37 N SER A 5 3.442 6.588 15.500 1.00 0.00 N ATOM 38 CA SER A 5 2.102 7.161 15.521 1.00 0.00 C ATOM 39 C SER A 5 1.054 6.105 15.183 1.00 0.00 C ATOM 40 O SER A 5 0.778 5.840 14.013 1.00 0.00 O ATOM 41 CB SER A 5 2.006 8.325 14.533 1.00 0.00 C ATOM 42 OG SER A 5 3.041 9.268 14.753 1.00 0.00 O ATOM 0 H SER A 5 4.068 7.004 14.810 1.00 0.00 H new ATOM 0 HA SER A 5 1.908 7.531 16.528 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.066 7.946 13.513 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.037 8.814 14.635 1.00 0.00 H new ATOM 0 HG SER A 5 2.958 10.001 14.108 1.00 0.00 H new ATOM 48 N SER A 6 0.473 5.505 16.217 1.00 0.00 N ATOM 49 CA SER A 6 -0.542 4.474 16.031 1.00 0.00 C ATOM 50 C SER A 6 -1.834 4.849 16.750 1.00 0.00 C ATOM 51 O SER A 6 -1.832 5.131 17.948 1.00 0.00 O ATOM 52 CB SER A 6 -0.031 3.127 16.545 1.00 0.00 C ATOM 53 OG SER A 6 0.865 2.535 15.620 1.00 0.00 O ATOM 0 H SER A 6 0.687 5.715 17.192 1.00 0.00 H new ATOM 0 HA SER A 6 -0.751 4.392 14.964 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.470 3.266 17.503 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.873 2.458 16.720 1.00 0.00 H new ATOM 0 HG SER A 6 1.179 1.676 15.972 1.00 0.00 H new ATOM 59 N GLY A 7 -2.938 4.849 16.009 1.00 0.00 N ATOM 60 CA GLY A 7 -4.223 5.190 16.592 1.00 0.00 C ATOM 61 C GLY A 7 -5.334 4.271 16.124 1.00 0.00 C ATOM 62 O GLY A 7 -6.356 4.731 15.615 1.00 0.00 O ATOM 0 H GLY A 7 -2.966 4.619 15.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.150 5.142 17.678 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.474 6.219 16.334 1.00 0.00 H new ATOM 66 N SER A 8 -5.133 2.969 16.295 1.00 0.00 N ATOM 67 CA SER A 8 -6.125 1.982 15.882 1.00 0.00 C ATOM 68 C SER A 8 -5.809 0.613 16.475 1.00 0.00 C ATOM 69 O SER A 8 -4.686 0.115 16.391 1.00 0.00 O ATOM 70 CB SER A 8 -6.177 1.889 14.355 1.00 0.00 C ATOM 71 OG SER A 8 -7.435 1.408 13.916 1.00 0.00 O ATOM 0 H SER A 8 -4.293 2.572 16.716 1.00 0.00 H new ATOM 0 HA SER A 8 -7.098 2.304 16.253 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.988 2.871 13.921 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.387 1.227 14.001 1.00 0.00 H new ATOM 0 HG SER A 8 -7.443 1.359 12.937 1.00 0.00 H new ATOM 77 N PRO A 9 -6.823 -0.013 17.091 1.00 0.00 N ATOM 78 CA PRO A 9 -6.679 -1.333 17.711 1.00 0.00 C ATOM 79 C PRO A 9 -6.494 -2.441 16.679 1.00 0.00 C ATOM 80 O PRO A 9 -6.364 -2.174 15.485 1.00 0.00 O ATOM 81 CB PRO A 9 -8.000 -1.518 18.462 1.00 0.00 C ATOM 82 CG PRO A 9 -8.974 -0.658 17.733 1.00 0.00 C ATOM 83 CD PRO A 9 -8.188 0.521 17.229 1.00 0.00 C ATOM 0 HA PRO A 9 -5.798 -1.389 18.350 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.314 -2.562 18.459 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.908 -1.215 19.505 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.434 -1.202 16.908 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.781 -0.337 18.392 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.575 0.885 16.277 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.224 1.356 17.928 1.00 0.00 H new ATOM 91 N ALA A 10 -6.483 -3.684 17.148 1.00 0.00 N ATOM 92 CA ALA A 10 -6.316 -4.832 16.266 1.00 0.00 C ATOM 93 C ALA A 10 -7.135 -4.668 14.990 1.00 0.00 C ATOM 94 O ALA A 10 -8.207 -4.062 14.986 1.00 0.00 O ATOM 95 CB ALA A 10 -6.708 -6.113 16.986 1.00 0.00 C ATOM 0 H ALA A 10 -6.588 -3.922 18.134 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.264 -4.893 15.986 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.578 -6.962 16.315 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.076 -6.245 17.864 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.751 -6.052 17.296 1.00 0.00 H new ATOM 101 N PRO A 11 -6.621 -5.219 13.881 1.00 0.00 N ATOM 102 CA PRO A 11 -7.289 -5.146 12.578 1.00 0.00 C ATOM 103 C PRO A 11 -8.557 -5.992 12.529 1.00 0.00 C ATOM 104 O PRO A 11 -8.731 -6.915 13.325 1.00 0.00 O ATOM 105 CB PRO A 11 -6.240 -5.698 11.610 1.00 0.00 C ATOM 106 CG PRO A 11 -5.381 -6.582 12.446 1.00 0.00 C ATOM 107 CD PRO A 11 -5.348 -5.956 13.813 1.00 0.00 C ATOM 0 HA PRO A 11 -7.614 -4.133 12.343 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.706 -6.254 10.796 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.659 -4.895 11.156 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.787 -7.593 12.489 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.377 -6.659 12.028 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.277 -6.709 14.598 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.492 -5.291 13.930 1.00 0.00 H new ATOM 115 N VAL A 12 -9.440 -5.672 11.589 1.00 0.00 N ATOM 116 CA VAL A 12 -10.692 -6.404 11.435 1.00 0.00 C ATOM 117 C VAL A 12 -10.445 -7.805 10.884 1.00 0.00 C ATOM 118 O VAL A 12 -9.300 -8.222 10.714 1.00 0.00 O ATOM 119 CB VAL A 12 -11.665 -5.662 10.500 1.00 0.00 C ATOM 120 CG1 VAL A 12 -12.110 -4.349 11.126 1.00 0.00 C ATOM 121 CG2 VAL A 12 -11.022 -5.424 9.142 1.00 0.00 C ATOM 0 H VAL A 12 -9.312 -4.911 10.922 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.139 -6.479 12.427 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.548 -6.285 10.354 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.797 -3.839 10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.612 -4.549 12.072 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.240 -3.717 11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.724 -4.899 8.494 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.122 -4.822 9.266 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.759 -6.381 8.691 1.00 0.00 H new ATOM 131 N GLN A 13 -11.527 -8.525 10.608 1.00 0.00 N ATOM 132 CA GLN A 13 -11.428 -9.879 10.077 1.00 0.00 C ATOM 133 C GLN A 13 -10.859 -9.869 8.662 1.00 0.00 C ATOM 134 O GLN A 13 -10.656 -8.807 8.072 1.00 0.00 O ATOM 135 CB GLN A 13 -12.801 -10.554 10.082 1.00 0.00 C ATOM 136 CG GLN A 13 -13.835 -9.834 9.232 1.00 0.00 C ATOM 137 CD GLN A 13 -15.225 -10.421 9.383 1.00 0.00 C ATOM 138 OE1 GLN A 13 -15.601 -10.887 10.459 1.00 0.00 O ATOM 139 NE2 GLN A 13 -15.997 -10.401 8.303 1.00 0.00 N ATOM 0 H GLN A 13 -12.482 -8.194 10.743 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.751 -10.444 10.718 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.695 -11.577 9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -13.164 -10.613 11.108 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.858 -8.780 9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.536 -9.882 8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.645 -10.005 7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.942 -10.782 8.345 1.00 0.00 H new ATOM 148 N ASP A 14 -10.603 -11.056 8.123 1.00 0.00 N ATOM 149 CA ASP A 14 -10.057 -11.183 6.777 1.00 0.00 C ATOM 150 C ASP A 14 -10.158 -12.623 6.284 1.00 0.00 C ATOM 151 O ASP A 14 -10.326 -13.562 7.063 1.00 0.00 O ATOM 152 CB ASP A 14 -8.599 -10.722 6.749 1.00 0.00 C ATOM 153 CG ASP A 14 -8.466 -9.242 6.449 1.00 0.00 C ATOM 154 OD1 ASP A 14 -8.712 -8.847 5.290 1.00 0.00 O ATOM 155 OD2 ASP A 14 -8.115 -8.478 7.373 1.00 0.00 O ATOM 0 H ASP A 14 -10.765 -11.944 8.598 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.643 -10.548 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.134 -10.938 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.055 -11.293 5.997 1.00 0.00 H new ATOM 160 N PRO A 15 -10.055 -12.804 4.959 1.00 0.00 N ATOM 161 CA PRO A 15 -10.132 -14.127 4.332 1.00 0.00 C ATOM 162 C PRO A 15 -8.912 -14.988 4.644 1.00 0.00 C ATOM 163 O PRO A 15 -8.884 -15.702 5.646 1.00 0.00 O ATOM 164 CB PRO A 15 -10.193 -13.808 2.836 1.00 0.00 C ATOM 165 CG PRO A 15 -9.534 -12.478 2.705 1.00 0.00 C ATOM 166 CD PRO A 15 -9.854 -11.731 3.971 1.00 0.00 C ATOM 0 HA PRO A 15 -10.985 -14.701 4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.675 -14.566 2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.223 -13.776 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.457 -12.587 2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.906 -11.943 1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.041 -11.065 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.746 -11.115 3.860 1.00 0.00 H new ATOM 174 N HIS A 16 -7.906 -14.916 3.778 1.00 0.00 N ATOM 175 CA HIS A 16 -6.683 -15.688 3.962 1.00 0.00 C ATOM 176 C HIS A 16 -5.482 -14.767 4.155 1.00 0.00 C ATOM 177 O HIS A 16 -4.352 -15.123 3.819 1.00 0.00 O ATOM 178 CB HIS A 16 -6.448 -16.605 2.761 1.00 0.00 C ATOM 179 CG HIS A 16 -7.498 -17.661 2.600 1.00 0.00 C ATOM 180 ND1 HIS A 16 -8.835 -17.619 2.806 1.00 0.00 N flip ATOM 181 CD2 HIS A 16 -7.217 -18.944 2.181 1.00 0.00 C flip ATOM 182 CE1 HIS A 16 -9.332 -18.864 2.509 1.00 0.00 C flip ATOM 183 NE2 HIS A 16 -8.335 -19.645 2.134 1.00 0.00 N flip ATOM 0 H HIS A 16 -7.914 -14.331 2.942 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.799 -16.297 4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.410 -16.001 1.855 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.475 -17.085 2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.235 -19.318 1.930 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.370 -19.157 2.572 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.415 -20.623 1.856 1.00 0.00 H new ATOM 192 N LEU A 17 -5.734 -13.581 4.699 1.00 0.00 N ATOM 193 CA LEU A 17 -4.674 -12.607 4.936 1.00 0.00 C ATOM 194 C LEU A 17 -3.638 -13.158 5.911 1.00 0.00 C ATOM 195 O LEU A 17 -3.880 -13.228 7.116 1.00 0.00 O ATOM 196 CB LEU A 17 -5.263 -11.306 5.483 1.00 0.00 C ATOM 197 CG LEU A 17 -4.525 -10.022 5.100 1.00 0.00 C ATOM 198 CD1 LEU A 17 -3.065 -10.102 5.519 1.00 0.00 C ATOM 199 CD2 LEU A 17 -4.640 -9.766 3.605 1.00 0.00 C ATOM 0 H LEU A 17 -6.663 -13.271 4.984 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.181 -12.404 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.294 -11.225 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.293 -11.373 6.570 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.988 -9.188 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.555 -9.180 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.003 -10.237 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.589 -10.946 5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.109 -8.849 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.203 -10.601 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.691 -9.664 3.333 1.00 0.00 H new ATOM 211 N ILE A 18 -2.482 -13.546 5.381 1.00 0.00 N ATOM 212 CA ILE A 18 -1.408 -14.087 6.204 1.00 0.00 C ATOM 213 C ILE A 18 -0.264 -13.088 6.341 1.00 0.00 C ATOM 214 O ILE A 18 -0.147 -12.149 5.553 1.00 0.00 O ATOM 215 CB ILE A 18 -0.860 -15.402 5.621 1.00 0.00 C ATOM 216 CG1 ILE A 18 -0.296 -15.168 4.218 1.00 0.00 C ATOM 217 CG2 ILE A 18 -1.950 -16.463 5.589 1.00 0.00 C ATOM 218 CD1 ILE A 18 0.810 -16.129 3.843 1.00 0.00 C ATOM 0 H ILE A 18 -2.266 -13.495 4.385 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.833 -14.285 7.188 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.053 -15.757 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.104 -15.255 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.083 -14.148 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.547 -17.387 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.309 -16.646 6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.776 -16.117 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.162 -15.904 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.636 -16.026 4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.431 -17.150 3.875 1.00 0.00 H new ATOM 230 N LYS A 19 0.581 -13.298 7.345 1.00 0.00 N ATOM 231 CA LYS A 19 1.719 -12.419 7.584 1.00 0.00 C ATOM 232 C LYS A 19 3.003 -13.027 7.027 1.00 0.00 C ATOM 233 O LYS A 19 3.240 -14.228 7.158 1.00 0.00 O ATOM 234 CB LYS A 19 1.877 -12.151 9.082 1.00 0.00 C ATOM 235 CG LYS A 19 2.988 -11.168 9.411 1.00 0.00 C ATOM 236 CD LYS A 19 4.321 -11.875 9.593 1.00 0.00 C ATOM 237 CE LYS A 19 4.471 -12.426 11.003 1.00 0.00 C ATOM 238 NZ LYS A 19 4.952 -11.389 11.956 1.00 0.00 N ATOM 0 H LYS A 19 0.499 -14.070 8.007 1.00 0.00 H new ATOM 0 HA LYS A 19 1.532 -11.476 7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.936 -11.767 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.075 -13.094 9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.072 -10.431 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.736 -10.624 10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.404 -12.689 8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.134 -11.180 9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.512 -12.816 11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.170 -13.262 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.041 -11.804 12.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.879 -11.035 11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.273 -10.602 11.985 1.00 0.00 H new ATOM 252 N VAL A 20 3.829 -12.190 6.408 1.00 0.00 N ATOM 253 CA VAL A 20 5.089 -12.645 5.834 1.00 0.00 C ATOM 254 C VAL A 20 6.241 -11.733 6.244 1.00 0.00 C ATOM 255 O VAL A 20 6.244 -10.541 5.937 1.00 0.00 O ATOM 256 CB VAL A 20 5.018 -12.702 4.296 1.00 0.00 C ATOM 257 CG1 VAL A 20 6.407 -12.881 3.703 1.00 0.00 C ATOM 258 CG2 VAL A 20 4.090 -13.821 3.848 1.00 0.00 C ATOM 0 H VAL A 20 3.648 -11.193 6.291 1.00 0.00 H new ATOM 0 HA VAL A 20 5.268 -13.649 6.220 1.00 0.00 H new ATOM 0 HB VAL A 20 4.614 -11.757 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.336 -12.919 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.039 -12.043 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.843 -13.810 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.051 -13.847 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.463 -14.775 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.089 -13.644 4.243 1.00 0.00 H new ATOM 268 N THR A 21 7.219 -12.302 6.941 1.00 0.00 N ATOM 269 CA THR A 21 8.377 -11.542 7.394 1.00 0.00 C ATOM 270 C THR A 21 9.499 -11.580 6.363 1.00 0.00 C ATOM 271 O THR A 21 9.987 -12.650 6.001 1.00 0.00 O ATOM 272 CB THR A 21 8.911 -12.077 8.736 1.00 0.00 C ATOM 273 OG1 THR A 21 8.006 -11.739 9.793 1.00 0.00 O ATOM 274 CG2 THR A 21 10.288 -11.506 9.038 1.00 0.00 C ATOM 0 H THR A 21 7.232 -13.287 7.204 1.00 0.00 H new ATOM 0 HA THR A 21 8.045 -10.512 7.528 1.00 0.00 H new ATOM 0 HB THR A 21 8.994 -13.161 8.662 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.171 -10.818 10.083 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.644 -11.899 9.991 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.981 -11.790 8.247 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.227 -10.419 9.094 1.00 0.00 H new ATOM 282 N VAL A 22 9.903 -10.405 5.892 1.00 0.00 N ATOM 283 CA VAL A 22 10.970 -10.304 4.902 1.00 0.00 C ATOM 284 C VAL A 22 12.323 -10.095 5.572 1.00 0.00 C ATOM 285 O VAL A 22 12.578 -9.049 6.171 1.00 0.00 O ATOM 286 CB VAL A 22 10.713 -9.148 3.917 1.00 0.00 C ATOM 287 CG1 VAL A 22 11.832 -9.064 2.889 1.00 0.00 C ATOM 288 CG2 VAL A 22 9.364 -9.319 3.235 1.00 0.00 C ATOM 0 H VAL A 22 9.508 -9.510 6.179 1.00 0.00 H new ATOM 0 HA VAL A 22 10.982 -11.245 4.352 1.00 0.00 H new ATOM 0 HB VAL A 22 10.695 -8.213 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.634 -8.242 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.781 -8.891 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.884 -9.999 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.199 -8.493 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.350 -10.261 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.575 -9.325 3.987 1.00 0.00 H new ATOM 298 N LYS A 23 13.190 -11.096 5.468 1.00 0.00 N ATOM 299 CA LYS A 23 14.519 -11.024 6.061 1.00 0.00 C ATOM 300 C LYS A 23 15.550 -10.570 5.033 1.00 0.00 C ATOM 301 O LYS A 23 15.903 -11.317 4.119 1.00 0.00 O ATOM 302 CB LYS A 23 14.920 -12.385 6.634 1.00 0.00 C ATOM 303 CG LYS A 23 14.559 -12.559 8.099 1.00 0.00 C ATOM 304 CD LYS A 23 15.541 -13.474 8.811 1.00 0.00 C ATOM 305 CE LYS A 23 16.749 -12.706 9.323 1.00 0.00 C ATOM 306 NZ LYS A 23 17.526 -13.493 10.320 1.00 0.00 N ATOM 0 H LYS A 23 12.995 -11.969 4.977 1.00 0.00 H new ATOM 0 HA LYS A 23 14.489 -10.292 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.436 -13.171 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.995 -12.517 6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.546 -11.586 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.553 -12.970 8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.041 -13.966 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.870 -14.258 8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.395 -12.444 8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.419 -11.771 9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.341 -12.934 10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.918 -13.722 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.863 -14.374 9.881 1.00 0.00 H new ATOM 320 N THR A 24 16.033 -9.340 5.188 1.00 0.00 N ATOM 321 CA THR A 24 17.023 -8.787 4.273 1.00 0.00 C ATOM 322 C THR A 24 18.370 -8.606 4.965 1.00 0.00 C ATOM 323 O THR A 24 18.456 -8.491 6.188 1.00 0.00 O ATOM 324 CB THR A 24 16.566 -7.432 3.702 1.00 0.00 C ATOM 325 OG1 THR A 24 17.099 -6.363 4.491 1.00 0.00 O ATOM 326 CG2 THR A 24 15.048 -7.341 3.675 1.00 0.00 C ATOM 0 H THR A 24 15.754 -8.709 5.939 1.00 0.00 H new ATOM 0 HA THR A 24 17.130 -9.499 3.455 1.00 0.00 H new ATOM 0 HB THR A 24 16.938 -7.349 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.805 -5.505 4.121 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.749 -6.375 3.268 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.647 -8.139 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.659 -7.444 4.688 1.00 0.00 H new ATOM 334 N PRO A 25 19.447 -8.578 4.167 1.00 0.00 N ATOM 335 CA PRO A 25 20.809 -8.409 4.681 1.00 0.00 C ATOM 336 C PRO A 25 21.054 -7.006 5.224 1.00 0.00 C ATOM 337 O PRO A 25 22.169 -6.668 5.623 1.00 0.00 O ATOM 338 CB PRO A 25 21.687 -8.668 3.454 1.00 0.00 C ATOM 339 CG PRO A 25 20.817 -8.339 2.290 1.00 0.00 C ATOM 340 CD PRO A 25 19.419 -8.709 2.700 1.00 0.00 C ATOM 0 HA PRO A 25 21.014 -9.077 5.517 1.00 0.00 H new ATOM 0 HB2 PRO A 25 22.581 -8.045 3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 25 22.021 -9.705 3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 25 20.883 -7.280 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 25 21.124 -8.895 1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 25 18.680 -8.045 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 25 19.165 -9.723 2.392 1.00 0.00 H new ATOM 348 N LYS A 26 20.005 -6.191 5.238 1.00 0.00 N ATOM 349 CA LYS A 26 20.105 -4.823 5.734 1.00 0.00 C ATOM 350 C LYS A 26 19.062 -4.559 6.816 1.00 0.00 C ATOM 351 O LYS A 26 19.249 -3.696 7.674 1.00 0.00 O ATOM 352 CB LYS A 26 19.926 -3.828 4.586 1.00 0.00 C ATOM 353 CG LYS A 26 20.924 -4.018 3.456 1.00 0.00 C ATOM 354 CD LYS A 26 22.329 -3.627 3.881 1.00 0.00 C ATOM 355 CE LYS A 26 23.352 -3.970 2.809 1.00 0.00 C ATOM 356 NZ LYS A 26 24.748 -3.778 3.292 1.00 0.00 N ATOM 0 H LYS A 26 19.075 -6.454 4.911 1.00 0.00 H new ATOM 0 HA LYS A 26 21.096 -4.693 6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.916 -3.923 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.020 -2.815 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.917 -5.059 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.622 -3.417 2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 26 22.363 -2.558 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 26 22.586 -4.140 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 26 23.216 -5.005 2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 26 23.182 -3.346 1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 25.415 -4.022 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 24.886 -2.785 3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 24.919 -4.393 4.113 1.00 0.00 H new ATOM 370 N ASP A 27 17.966 -5.308 6.770 1.00 0.00 N ATOM 371 CA ASP A 27 16.895 -5.157 7.747 1.00 0.00 C ATOM 372 C ASP A 27 15.812 -6.211 7.535 1.00 0.00 C ATOM 373 O ASP A 27 15.909 -7.043 6.633 1.00 0.00 O ATOM 374 CB ASP A 27 16.285 -3.757 7.656 1.00 0.00 C ATOM 375 CG ASP A 27 16.980 -2.762 8.565 1.00 0.00 C ATOM 376 OD1 ASP A 27 16.863 -2.906 9.801 1.00 0.00 O ATOM 377 OD2 ASP A 27 17.641 -1.841 8.042 1.00 0.00 O ATOM 0 H ASP A 27 17.796 -6.026 6.066 1.00 0.00 H new ATOM 0 HA ASP A 27 17.322 -5.295 8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.342 -3.405 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.228 -3.807 7.917 1.00 0.00 H new ATOM 382 N LYS A 28 14.782 -6.170 8.373 1.00 0.00 N ATOM 383 CA LYS A 28 13.681 -7.121 8.279 1.00 0.00 C ATOM 384 C LYS A 28 12.367 -6.477 8.711 1.00 0.00 C ATOM 385 O LYS A 28 12.314 -5.771 9.718 1.00 0.00 O ATOM 386 CB LYS A 28 13.966 -8.351 9.143 1.00 0.00 C ATOM 387 CG LYS A 28 13.609 -8.163 10.607 1.00 0.00 C ATOM 388 CD LYS A 28 12.178 -8.590 10.891 1.00 0.00 C ATOM 389 CE LYS A 28 11.574 -7.789 12.034 1.00 0.00 C ATOM 390 NZ LYS A 28 10.550 -8.572 12.779 1.00 0.00 N ATOM 0 H LYS A 28 14.687 -5.488 9.125 1.00 0.00 H new ATOM 0 HA LYS A 28 13.589 -7.430 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.407 -9.199 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.024 -8.602 9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.293 -8.743 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.739 -7.117 10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.573 -8.459 9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.156 -9.651 11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.364 -7.480 12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.120 -6.880 11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.285 -8.061 13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.708 -8.700 12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.940 -9.503 13.031 1.00 0.00 H new ATOM 404 N GLU A 29 11.310 -6.726 7.945 1.00 0.00 N ATOM 405 CA GLU A 29 9.998 -6.170 8.251 1.00 0.00 C ATOM 406 C GLU A 29 8.898 -7.195 7.987 1.00 0.00 C ATOM 407 O GLU A 29 9.039 -8.066 7.129 1.00 0.00 O ATOM 408 CB GLU A 29 9.746 -4.911 7.419 1.00 0.00 C ATOM 409 CG GLU A 29 8.753 -3.951 8.052 1.00 0.00 C ATOM 410 CD GLU A 29 9.363 -3.141 9.179 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.353 -3.624 10.331 1.00 0.00 O ATOM 412 OE2 GLU A 29 9.850 -2.023 8.909 1.00 0.00 O ATOM 0 H GLU A 29 11.337 -7.309 7.108 1.00 0.00 H new ATOM 0 HA GLU A 29 9.981 -5.907 9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.692 -4.392 7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.379 -5.203 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.371 -3.274 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.901 -4.514 8.434 1.00 0.00 H new ATOM 419 N ASP A 30 7.804 -7.084 8.732 1.00 0.00 N ATOM 420 CA ASP A 30 6.679 -8.000 8.580 1.00 0.00 C ATOM 421 C ASP A 30 5.614 -7.405 7.664 1.00 0.00 C ATOM 422 O ASP A 30 5.272 -6.228 7.774 1.00 0.00 O ATOM 423 CB ASP A 30 6.071 -8.326 9.945 1.00 0.00 C ATOM 424 CG ASP A 30 7.083 -8.225 11.069 1.00 0.00 C ATOM 425 OD1 ASP A 30 8.130 -8.902 10.988 1.00 0.00 O ATOM 426 OD2 ASP A 30 6.830 -7.468 12.028 1.00 0.00 O ATOM 0 H ASP A 30 7.672 -6.369 9.447 1.00 0.00 H new ATOM 0 HA ASP A 30 7.050 -8.920 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.244 -7.645 10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.656 -9.334 9.923 1.00 0.00 H new ATOM 431 N PHE A 31 5.094 -8.227 6.758 1.00 0.00 N ATOM 432 CA PHE A 31 4.069 -7.782 5.821 1.00 0.00 C ATOM 433 C PHE A 31 2.788 -8.593 5.991 1.00 0.00 C ATOM 434 O PHE A 31 2.795 -9.667 6.593 1.00 0.00 O ATOM 435 CB PHE A 31 4.576 -7.903 4.383 1.00 0.00 C ATOM 436 CG PHE A 31 5.687 -6.947 4.056 1.00 0.00 C ATOM 437 CD1 PHE A 31 6.943 -7.104 4.621 1.00 0.00 C ATOM 438 CD2 PHE A 31 5.477 -5.892 3.184 1.00 0.00 C ATOM 439 CE1 PHE A 31 7.967 -6.225 4.323 1.00 0.00 C ATOM 440 CE2 PHE A 31 6.497 -5.010 2.881 1.00 0.00 C ATOM 441 CZ PHE A 31 7.744 -5.177 3.451 1.00 0.00 C ATOM 0 H PHE A 31 5.366 -9.205 6.653 1.00 0.00 H new ATOM 0 HA PHE A 31 3.847 -6.736 6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.923 -8.922 4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.746 -7.731 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.123 -7.923 5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.504 -5.757 2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.941 -6.357 4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.319 -4.191 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.543 -4.490 3.215 1.00 0.00 H new ATOM 451 N SER A 32 1.689 -8.071 5.455 1.00 0.00 N ATOM 452 CA SER A 32 0.398 -8.743 5.551 1.00 0.00 C ATOM 453 C SER A 32 -0.255 -8.863 4.177 1.00 0.00 C ATOM 454 O SER A 32 -0.614 -7.862 3.558 1.00 0.00 O ATOM 455 CB SER A 32 -0.527 -7.984 6.503 1.00 0.00 C ATOM 456 OG SER A 32 -0.674 -6.633 6.102 1.00 0.00 O ATOM 0 H SER A 32 1.667 -7.185 4.950 1.00 0.00 H new ATOM 0 HA SER A 32 0.567 -9.746 5.943 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.504 -8.467 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.125 -8.024 7.515 1.00 0.00 H new ATOM 0 HG SER A 32 -0.718 -6.585 5.124 1.00 0.00 H new ATOM 462 N VAL A 33 -0.405 -10.097 3.706 1.00 0.00 N ATOM 463 CA VAL A 33 -1.015 -10.350 2.406 1.00 0.00 C ATOM 464 C VAL A 33 -1.684 -11.720 2.370 1.00 0.00 C ATOM 465 O VAL A 33 -1.322 -12.620 3.128 1.00 0.00 O ATOM 466 CB VAL A 33 0.024 -10.268 1.273 1.00 0.00 C ATOM 467 CG1 VAL A 33 0.410 -8.822 1.005 1.00 0.00 C ATOM 468 CG2 VAL A 33 1.250 -11.101 1.614 1.00 0.00 C ATOM 0 H VAL A 33 -0.112 -10.937 4.205 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.768 -9.577 2.254 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.422 -10.674 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.145 -8.785 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.475 -8.257 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.837 -8.386 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.974 -11.032 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.699 -10.727 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.956 -12.142 1.750 1.00 0.00 H new ATOM 478 N THR A 34 -2.663 -11.872 1.483 1.00 0.00 N ATOM 479 CA THR A 34 -3.383 -13.131 1.348 1.00 0.00 C ATOM 480 C THR A 34 -2.483 -14.220 0.776 1.00 0.00 C ATOM 481 O THR A 34 -1.637 -13.955 -0.078 1.00 0.00 O ATOM 482 CB THR A 34 -4.621 -12.976 0.445 1.00 0.00 C ATOM 483 OG1 THR A 34 -4.325 -12.096 -0.645 1.00 0.00 O ATOM 484 CG2 THR A 34 -5.803 -12.435 1.234 1.00 0.00 C ATOM 0 H THR A 34 -2.975 -11.138 0.847 1.00 0.00 H new ATOM 0 HA THR A 34 -3.706 -13.419 2.348 1.00 0.00 H new ATOM 0 HB THR A 34 -4.885 -13.960 0.056 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.117 -12.004 -1.215 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.665 -12.334 0.575 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.045 -13.122 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.548 -11.460 1.649 1.00 0.00 H new ATOM 492 N ASP A 35 -2.672 -15.447 1.250 1.00 0.00 N ATOM 493 CA ASP A 35 -1.878 -16.578 0.783 1.00 0.00 C ATOM 494 C ASP A 35 -1.926 -16.685 -0.738 1.00 0.00 C ATOM 495 O ASP A 35 -0.983 -17.165 -1.368 1.00 0.00 O ATOM 496 CB ASP A 35 -2.382 -17.877 1.414 1.00 0.00 C ATOM 497 CG ASP A 35 -3.744 -18.286 0.888 1.00 0.00 C ATOM 498 OD1 ASP A 35 -4.538 -17.389 0.536 1.00 0.00 O ATOM 499 OD2 ASP A 35 -4.014 -19.504 0.827 1.00 0.00 O ATOM 0 H ASP A 35 -3.368 -15.684 1.957 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.844 -16.413 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.666 -18.675 1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.435 -17.755 2.496 1.00 0.00 H new ATOM 504 N THR A 36 -3.032 -16.234 -1.323 1.00 0.00 N ATOM 505 CA THR A 36 -3.204 -16.281 -2.770 1.00 0.00 C ATOM 506 C THR A 36 -2.281 -15.288 -3.466 1.00 0.00 C ATOM 507 O THR A 36 -1.970 -15.438 -4.648 1.00 0.00 O ATOM 508 CB THR A 36 -4.660 -15.981 -3.172 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.822 -16.147 -4.585 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.051 -14.566 -2.774 1.00 0.00 C ATOM 0 H THR A 36 -3.821 -15.832 -0.817 1.00 0.00 H new ATOM 0 HA THR A 36 -2.949 -17.292 -3.086 1.00 0.00 H new ATOM 0 HB THR A 36 -5.310 -16.681 -2.648 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.751 -15.956 -4.832 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.083 -14.377 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.955 -14.452 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.395 -13.853 -3.274 1.00 0.00 H new ATOM 518 N CYS A 37 -1.847 -14.273 -2.727 1.00 0.00 N ATOM 519 CA CYS A 37 -0.959 -13.254 -3.274 1.00 0.00 C ATOM 520 C CYS A 37 0.211 -13.893 -4.016 1.00 0.00 C ATOM 521 O CYS A 37 0.706 -14.950 -3.624 1.00 0.00 O ATOM 522 CB CYS A 37 -0.436 -12.350 -2.156 1.00 0.00 C ATOM 523 SG CYS A 37 0.724 -11.081 -2.715 1.00 0.00 S ATOM 0 H CYS A 37 -2.096 -14.134 -1.748 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.530 -12.652 -3.982 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.282 -11.865 -1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.053 -12.968 -1.403 1.00 0.00 H new ATOM 0 HG CYS A 37 1.660 -11.633 -3.428 1.00 0.00 H new ATOM 529 N THR A 38 0.647 -13.245 -5.092 1.00 0.00 N ATOM 530 CA THR A 38 1.756 -13.751 -5.891 1.00 0.00 C ATOM 531 C THR A 38 3.075 -13.114 -5.467 1.00 0.00 C ATOM 532 O THR A 38 3.089 -12.060 -4.830 1.00 0.00 O ATOM 533 CB THR A 38 1.532 -13.489 -7.392 1.00 0.00 C ATOM 534 OG1 THR A 38 0.892 -12.222 -7.578 1.00 0.00 O ATOM 535 CG2 THR A 38 0.682 -14.588 -8.012 1.00 0.00 C ATOM 0 H THR A 38 0.249 -12.369 -5.430 1.00 0.00 H new ATOM 0 HA THR A 38 1.804 -14.827 -5.720 1.00 0.00 H new ATOM 0 HB THR A 38 2.504 -13.481 -7.886 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.755 -12.062 -8.535 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.537 -14.381 -9.072 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.186 -15.547 -7.895 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.287 -14.624 -7.514 1.00 0.00 H new ATOM 543 N ILE A 39 4.180 -13.760 -5.824 1.00 0.00 N ATOM 544 CA ILE A 39 5.503 -13.254 -5.481 1.00 0.00 C ATOM 545 C ILE A 39 5.738 -11.873 -6.084 1.00 0.00 C ATOM 546 O ILE A 39 6.221 -10.965 -5.409 1.00 0.00 O ATOM 547 CB ILE A 39 6.612 -14.208 -5.965 1.00 0.00 C ATOM 548 CG1 ILE A 39 6.379 -15.617 -5.416 1.00 0.00 C ATOM 549 CG2 ILE A 39 7.979 -13.688 -5.543 1.00 0.00 C ATOM 550 CD1 ILE A 39 6.319 -15.674 -3.905 1.00 0.00 C ATOM 0 H ILE A 39 4.185 -14.634 -6.350 1.00 0.00 H new ATOM 0 HA ILE A 39 5.542 -13.184 -4.394 1.00 0.00 H new ATOM 0 HB ILE A 39 6.582 -14.254 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.447 -16.008 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.178 -16.271 -5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.752 -14.372 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.144 -12.702 -5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.021 -13.616 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.152 -16.703 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.260 -15.314 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.502 -15.046 -3.549 1.00 0.00 H new ATOM 562 N GLN A 40 5.390 -11.723 -7.358 1.00 0.00 N ATOM 563 CA GLN A 40 5.561 -10.452 -8.051 1.00 0.00 C ATOM 564 C GLN A 40 4.751 -9.350 -7.377 1.00 0.00 C ATOM 565 O GLN A 40 5.164 -8.191 -7.348 1.00 0.00 O ATOM 566 CB GLN A 40 5.142 -10.585 -9.516 1.00 0.00 C ATOM 567 CG GLN A 40 3.649 -10.795 -9.705 1.00 0.00 C ATOM 568 CD GLN A 40 2.891 -9.491 -9.858 1.00 0.00 C ATOM 569 OE1 GLN A 40 1.879 -9.266 -9.193 1.00 0.00 O ATOM 570 NE2 GLN A 40 3.377 -8.622 -10.737 1.00 0.00 N ATOM 0 H GLN A 40 4.988 -12.465 -7.931 1.00 0.00 H new ATOM 0 HA GLN A 40 6.616 -10.182 -8.005 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.445 -9.687 -10.055 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.678 -11.422 -9.964 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.482 -11.414 -10.587 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.252 -11.343 -8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.218 -8.849 -11.267 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.909 -7.727 -10.882 1.00 0.00 H new ATOM 579 N GLN A 41 3.595 -9.720 -6.835 1.00 0.00 N ATOM 580 CA GLN A 41 2.726 -8.762 -6.162 1.00 0.00 C ATOM 581 C GLN A 41 3.385 -8.226 -4.895 1.00 0.00 C ATOM 582 O GLN A 41 3.269 -7.042 -4.576 1.00 0.00 O ATOM 583 CB GLN A 41 1.385 -9.413 -5.816 1.00 0.00 C ATOM 584 CG GLN A 41 0.332 -9.247 -6.900 1.00 0.00 C ATOM 585 CD GLN A 41 -1.082 -9.346 -6.360 1.00 0.00 C ATOM 586 OE1 GLN A 41 -1.708 -8.336 -6.037 1.00 0.00 O ATOM 587 NE2 GLN A 41 -1.592 -10.567 -6.258 1.00 0.00 N ATOM 0 H GLN A 41 3.239 -10.676 -6.849 1.00 0.00 H new ATOM 0 HA GLN A 41 2.553 -7.927 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.543 -10.476 -5.634 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.010 -8.982 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.465 -8.280 -7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.479 -10.010 -7.664 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.038 -11.376 -6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.538 -10.696 -5.900 1.00 0.00 H new ATOM 596 N LEU A 42 4.077 -9.104 -4.177 1.00 0.00 N ATOM 597 CA LEU A 42 4.756 -8.718 -2.945 1.00 0.00 C ATOM 598 C LEU A 42 5.902 -7.754 -3.232 1.00 0.00 C ATOM 599 O LEU A 42 6.116 -6.790 -2.497 1.00 0.00 O ATOM 600 CB LEU A 42 5.287 -9.958 -2.223 1.00 0.00 C ATOM 601 CG LEU A 42 6.121 -9.698 -0.968 1.00 0.00 C ATOM 602 CD1 LEU A 42 5.308 -8.936 0.066 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.633 -11.009 -0.387 1.00 0.00 C ATOM 0 H LEU A 42 4.183 -10.087 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 42 4.033 -8.212 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.439 -10.585 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.892 -10.531 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 42 6.980 -9.087 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.919 -8.761 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.992 -7.980 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.430 -9.520 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.224 -10.805 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.788 -11.645 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.254 -11.516 -1.125 1.00 0.00 H new ATOM 615 N LYS A 43 6.635 -8.018 -4.309 1.00 0.00 N ATOM 616 CA LYS A 43 7.757 -7.173 -4.697 1.00 0.00 C ATOM 617 C LYS A 43 7.365 -5.699 -4.667 1.00 0.00 C ATOM 618 O LYS A 43 8.010 -4.890 -4.002 1.00 0.00 O ATOM 619 CB LYS A 43 8.248 -7.552 -6.097 1.00 0.00 C ATOM 620 CG LYS A 43 8.599 -9.023 -6.240 1.00 0.00 C ATOM 621 CD LYS A 43 10.058 -9.283 -5.903 1.00 0.00 C ATOM 622 CE LYS A 43 10.482 -10.686 -6.308 1.00 0.00 C ATOM 623 NZ LYS A 43 10.977 -10.732 -7.712 1.00 0.00 N ATOM 0 H LYS A 43 6.471 -8.811 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 43 8.563 -7.331 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.477 -7.299 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.125 -6.952 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.962 -9.616 -5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.397 -9.349 -7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.686 -8.551 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.215 -9.149 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.264 -11.037 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.638 -11.367 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.872 -11.697 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.425 -10.072 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.980 -10.459 -7.735 1.00 0.00 H new ATOM 637 N GLU A 44 6.301 -5.359 -5.389 1.00 0.00 N ATOM 638 CA GLU A 44 5.824 -3.983 -5.443 1.00 0.00 C ATOM 639 C GLU A 44 5.540 -3.450 -4.041 1.00 0.00 C ATOM 640 O GLU A 44 5.448 -2.241 -3.833 1.00 0.00 O ATOM 641 CB GLU A 44 4.559 -3.892 -6.300 1.00 0.00 C ATOM 642 CG GLU A 44 4.709 -4.524 -7.674 1.00 0.00 C ATOM 643 CD GLU A 44 3.421 -4.493 -8.473 1.00 0.00 C ATOM 644 OE1 GLU A 44 2.617 -3.559 -8.266 1.00 0.00 O ATOM 645 OE2 GLU A 44 3.216 -5.400 -9.306 1.00 0.00 O ATOM 0 H GLU A 44 5.754 -6.017 -5.944 1.00 0.00 H new ATOM 0 HA GLU A 44 6.606 -3.372 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.738 -4.378 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.285 -2.844 -6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.488 -4.001 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.037 -5.557 -7.561 1.00 0.00 H new ATOM 652 N GLU A 45 5.402 -4.363 -3.084 1.00 0.00 N ATOM 653 CA GLU A 45 5.128 -3.985 -1.703 1.00 0.00 C ATOM 654 C GLU A 45 6.425 -3.749 -0.935 1.00 0.00 C ATOM 655 O GLU A 45 6.569 -2.750 -0.230 1.00 0.00 O ATOM 656 CB GLU A 45 4.301 -5.069 -1.009 1.00 0.00 C ATOM 657 CG GLU A 45 3.072 -5.495 -1.795 1.00 0.00 C ATOM 658 CD GLU A 45 1.997 -4.425 -1.822 1.00 0.00 C ATOM 659 OE1 GLU A 45 2.086 -3.516 -2.672 1.00 0.00 O ATOM 660 OE2 GLU A 45 1.067 -4.499 -0.991 1.00 0.00 O ATOM 0 H GLU A 45 5.475 -5.368 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 45 4.559 -3.055 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.932 -5.941 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.988 -4.704 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.365 -5.737 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.663 -6.405 -1.357 1.00 0.00 H new ATOM 667 N ILE A 46 7.366 -4.676 -1.078 1.00 0.00 N ATOM 668 CA ILE A 46 8.652 -4.570 -0.399 1.00 0.00 C ATOM 669 C ILE A 46 9.542 -3.528 -1.067 1.00 0.00 C ATOM 670 O ILE A 46 10.542 -3.092 -0.496 1.00 0.00 O ATOM 671 CB ILE A 46 9.390 -5.921 -0.376 1.00 0.00 C ATOM 672 CG1 ILE A 46 9.103 -6.705 -1.658 1.00 0.00 C ATOM 673 CG2 ILE A 46 8.981 -6.728 0.847 1.00 0.00 C ATOM 674 CD1 ILE A 46 10.060 -7.854 -1.891 1.00 0.00 C ATOM 0 H ILE A 46 7.262 -5.509 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 46 8.443 -4.263 0.626 1.00 0.00 H new ATOM 0 HB ILE A 46 10.462 -5.731 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.085 -7.093 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.151 -6.025 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.511 -7.680 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.231 -6.172 1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.907 -6.911 0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.797 -8.365 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.078 -7.471 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.996 -8.555 -1.059 1.00 0.00 H new ATOM 686 N SER A 47 9.171 -3.131 -2.280 1.00 0.00 N ATOM 687 CA SER A 47 9.937 -2.140 -3.028 1.00 0.00 C ATOM 688 C SER A 47 9.881 -0.779 -2.341 1.00 0.00 C ATOM 689 O SER A 47 10.862 -0.036 -2.335 1.00 0.00 O ATOM 690 CB SER A 47 9.403 -2.025 -4.457 1.00 0.00 C ATOM 691 OG SER A 47 9.465 -3.273 -5.126 1.00 0.00 O ATOM 0 H SER A 47 8.345 -3.480 -2.766 1.00 0.00 H new ATOM 0 HA SER A 47 10.976 -2.468 -3.061 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.372 -1.671 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.984 -1.285 -5.007 1.00 0.00 H new ATOM 0 HG SER A 47 8.973 -3.945 -4.610 1.00 0.00 H new ATOM 697 N GLN A 48 8.727 -0.461 -1.764 1.00 0.00 N ATOM 698 CA GLN A 48 8.543 0.811 -1.075 1.00 0.00 C ATOM 699 C GLN A 48 8.986 0.711 0.381 1.00 0.00 C ATOM 700 O GLN A 48 9.464 1.684 0.963 1.00 0.00 O ATOM 701 CB GLN A 48 7.079 1.247 -1.147 1.00 0.00 C ATOM 702 CG GLN A 48 6.109 0.214 -0.594 1.00 0.00 C ATOM 703 CD GLN A 48 4.677 0.711 -0.573 1.00 0.00 C ATOM 704 OE1 GLN A 48 4.427 1.916 -0.528 1.00 0.00 O ATOM 705 NE2 GLN A 48 3.728 -0.217 -0.605 1.00 0.00 N ATOM 0 H GLN A 48 7.906 -1.066 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 48 9.162 1.558 -1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.958 2.179 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.821 1.456 -2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.166 -0.692 -1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.410 -0.057 0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.981 -1.204 -0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.746 0.057 -0.593 1.00 0.00 H new ATOM 714 N ARG A 49 8.823 -0.473 0.963 1.00 0.00 N ATOM 715 CA ARG A 49 9.204 -0.700 2.352 1.00 0.00 C ATOM 716 C ARG A 49 10.721 -0.786 2.492 1.00 0.00 C ATOM 717 O ARG A 49 11.282 -0.413 3.523 1.00 0.00 O ATOM 718 CB ARG A 49 8.559 -1.984 2.877 1.00 0.00 C ATOM 719 CG ARG A 49 7.197 -1.764 3.515 1.00 0.00 C ATOM 720 CD ARG A 49 7.327 -1.238 4.936 1.00 0.00 C ATOM 721 NE ARG A 49 6.051 -0.756 5.459 1.00 0.00 N ATOM 722 CZ ARG A 49 5.441 0.338 5.016 1.00 0.00 C ATOM 723 NH1 ARG A 49 5.987 1.058 4.045 1.00 0.00 N ATOM 724 NH2 ARG A 49 4.282 0.712 5.542 1.00 0.00 N ATOM 0 H ARG A 49 8.430 -1.289 0.494 1.00 0.00 H new ATOM 0 HA ARG A 49 8.849 0.144 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.455 -2.691 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.224 -2.442 3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.623 -1.058 2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.641 -2.702 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.708 -2.029 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.057 -0.429 4.958 1.00 0.00 H new ATOM 0 HE ARG A 49 5.604 -1.289 6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.877 0.772 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.517 1.898 3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.858 0.159 6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.815 1.552 5.201 1.00 0.00 H new ATOM 738 N PHE A 50 11.379 -1.280 1.449 1.00 0.00 N ATOM 739 CA PHE A 50 12.831 -1.417 1.456 1.00 0.00 C ATOM 740 C PHE A 50 13.478 -0.400 0.520 1.00 0.00 C ATOM 741 O PHE A 50 14.693 -0.202 0.543 1.00 0.00 O ATOM 742 CB PHE A 50 13.233 -2.835 1.043 1.00 0.00 C ATOM 743 CG PHE A 50 13.067 -3.848 2.140 1.00 0.00 C ATOM 744 CD1 PHE A 50 13.900 -3.833 3.247 1.00 0.00 C ATOM 745 CD2 PHE A 50 12.078 -4.815 2.063 1.00 0.00 C ATOM 746 CE1 PHE A 50 13.750 -4.764 4.257 1.00 0.00 C ATOM 747 CE2 PHE A 50 11.923 -5.748 3.070 1.00 0.00 C ATOM 748 CZ PHE A 50 12.760 -5.723 4.169 1.00 0.00 C ATOM 0 H PHE A 50 10.930 -1.592 0.588 1.00 0.00 H new ATOM 0 HA PHE A 50 13.184 -1.227 2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 50 12.633 -3.139 0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.274 -2.829 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.676 -3.085 3.321 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.421 -4.840 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.406 -4.742 5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.148 -6.497 2.998 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.640 -6.452 4.957 1.00 0.00 H new ATOM 758 N LYS A 51 12.657 0.241 -0.305 1.00 0.00 N ATOM 759 CA LYS A 51 13.146 1.239 -1.249 1.00 0.00 C ATOM 760 C LYS A 51 14.039 0.596 -2.305 1.00 0.00 C ATOM 761 O LYS A 51 15.143 1.072 -2.571 1.00 0.00 O ATOM 762 CB LYS A 51 13.918 2.335 -0.511 1.00 0.00 C ATOM 763 CG LYS A 51 13.122 2.996 0.601 1.00 0.00 C ATOM 764 CD LYS A 51 11.968 3.816 0.049 1.00 0.00 C ATOM 765 CE LYS A 51 11.495 4.857 1.052 1.00 0.00 C ATOM 766 NZ LYS A 51 12.363 6.067 1.046 1.00 0.00 N ATOM 0 H LYS A 51 11.649 0.087 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 51 12.285 1.684 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.828 1.907 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.226 3.096 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.737 2.233 1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.779 3.639 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.279 4.311 -0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.141 3.155 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.469 5.145 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.486 4.421 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.008 6.753 1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.337 5.797 1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.351 6.498 0.099 1.00 0.00 H new ATOM 780 N ALA A 52 13.555 -0.487 -2.904 1.00 0.00 N ATOM 781 CA ALA A 52 14.308 -1.192 -3.934 1.00 0.00 C ATOM 782 C ALA A 52 13.385 -1.713 -5.030 1.00 0.00 C ATOM 783 O ALA A 52 12.422 -2.431 -4.755 1.00 0.00 O ATOM 784 CB ALA A 52 15.098 -2.337 -3.318 1.00 0.00 C ATOM 0 H ALA A 52 12.644 -0.895 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 52 15.004 -0.487 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.656 -2.855 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.793 -1.942 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.412 -3.035 -2.838 1.00 0.00 H new ATOM 790 N HIS A 53 13.684 -1.348 -6.272 1.00 0.00 N ATOM 791 CA HIS A 53 12.880 -1.779 -7.410 1.00 0.00 C ATOM 792 C HIS A 53 12.562 -3.269 -7.318 1.00 0.00 C ATOM 793 O HIS A 53 13.404 -4.085 -6.944 1.00 0.00 O ATOM 794 CB HIS A 53 13.610 -1.482 -8.720 1.00 0.00 C ATOM 795 CG HIS A 53 12.691 -1.195 -9.867 1.00 0.00 C ATOM 796 ND1 HIS A 53 12.288 -2.159 -10.767 1.00 0.00 N ATOM 797 CD2 HIS A 53 12.094 -0.045 -10.258 1.00 0.00 C ATOM 798 CE1 HIS A 53 11.484 -1.614 -11.662 1.00 0.00 C ATOM 799 NE2 HIS A 53 11.350 -0.332 -11.376 1.00 0.00 N ATOM 0 H HIS A 53 14.477 -0.755 -6.516 1.00 0.00 H new ATOM 0 HA HIS A 53 11.943 -1.223 -7.391 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.271 -0.628 -8.572 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.241 -2.333 -8.975 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.186 0.919 -9.780 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.016 -2.129 -12.488 1.00 0.00 H new ATOM 0 HE2 HIS A 53 10.786 0.337 -11.900 1.00 0.00 H new ATOM 808 N PRO A 54 11.319 -3.632 -7.666 1.00 0.00 N ATOM 809 CA PRO A 54 10.862 -5.024 -7.630 1.00 0.00 C ATOM 810 C PRO A 54 11.518 -5.878 -8.710 1.00 0.00 C ATOM 811 O PRO A 54 11.267 -7.079 -8.803 1.00 0.00 O ATOM 812 CB PRO A 54 9.356 -4.910 -7.881 1.00 0.00 C ATOM 813 CG PRO A 54 9.193 -3.635 -8.634 1.00 0.00 C ATOM 814 CD PRO A 54 10.263 -2.711 -8.121 1.00 0.00 C ATOM 0 HA PRO A 54 11.116 -5.511 -6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.985 -5.759 -8.455 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.799 -4.891 -6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.300 -3.799 -9.706 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.202 -3.211 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.623 -2.041 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.897 -2.085 -7.307 1.00 0.00 H new ATOM 822 N ASP A 55 12.360 -5.250 -9.523 1.00 0.00 N ATOM 823 CA ASP A 55 13.054 -5.952 -10.596 1.00 0.00 C ATOM 824 C ASP A 55 14.389 -6.507 -10.108 1.00 0.00 C ATOM 825 O ASP A 55 15.109 -7.166 -10.858 1.00 0.00 O ATOM 826 CB ASP A 55 13.281 -5.016 -11.784 1.00 0.00 C ATOM 827 CG ASP A 55 13.742 -5.756 -13.025 1.00 0.00 C ATOM 828 OD1 ASP A 55 12.966 -6.587 -13.542 1.00 0.00 O ATOM 829 OD2 ASP A 55 14.879 -5.506 -13.478 1.00 0.00 O ATOM 0 H ASP A 55 12.579 -4.256 -9.459 1.00 0.00 H new ATOM 0 HA ASP A 55 12.429 -6.786 -10.915 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.356 -4.483 -12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 55 14.024 -4.266 -11.515 1.00 0.00 H new ATOM 834 N GLN A 56 14.711 -6.236 -8.847 1.00 0.00 N ATOM 835 CA GLN A 56 15.960 -6.708 -8.260 1.00 0.00 C ATOM 836 C GLN A 56 15.692 -7.582 -7.040 1.00 0.00 C ATOM 837 O GLN A 56 16.379 -8.580 -6.815 1.00 0.00 O ATOM 838 CB GLN A 56 16.843 -5.522 -7.868 1.00 0.00 C ATOM 839 CG GLN A 56 16.057 -4.295 -7.433 1.00 0.00 C ATOM 840 CD GLN A 56 16.926 -3.059 -7.311 1.00 0.00 C ATOM 841 OE1 GLN A 56 17.310 -2.723 -6.086 1.00 0.00 O flip ATOM 842 NE2 GLN A 56 17.247 -2.412 -8.308 1.00 0.00 N flip ATOM 0 H GLN A 56 14.125 -5.693 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 56 16.479 -7.308 -9.007 1.00 0.00 H new ATOM 0 HB2 GLN A 56 17.505 -5.825 -7.057 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.476 -5.256 -8.714 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.260 -4.105 -8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.580 -4.495 -6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.929 -2.707 -9.231 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.831 -1.581 -8.211 1.00 0.00 H new ATOM 851 N LEU A 57 14.690 -7.203 -6.255 1.00 0.00 N ATOM 852 CA LEU A 57 14.331 -7.953 -5.056 1.00 0.00 C ATOM 853 C LEU A 57 14.230 -9.445 -5.357 1.00 0.00 C ATOM 854 O LEU A 57 13.560 -9.854 -6.305 1.00 0.00 O ATOM 855 CB LEU A 57 13.003 -7.444 -4.491 1.00 0.00 C ATOM 856 CG LEU A 57 12.833 -5.925 -4.441 1.00 0.00 C ATOM 857 CD1 LEU A 57 11.573 -5.555 -3.674 1.00 0.00 C ATOM 858 CD2 LEU A 57 14.055 -5.272 -3.812 1.00 0.00 C ATOM 0 H LEU A 57 14.111 -6.381 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 57 15.116 -7.803 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.193 -7.861 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.887 -7.836 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 57 12.734 -5.555 -5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.468 -4.470 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.705 -5.992 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.642 -5.937 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.916 -4.191 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.186 -5.647 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.939 -5.510 -4.403 1.00 0.00 H new ATOM 870 N VAL A 58 14.899 -10.254 -4.542 1.00 0.00 N ATOM 871 CA VAL A 58 14.883 -11.701 -4.719 1.00 0.00 C ATOM 872 C VAL A 58 14.425 -12.405 -3.446 1.00 0.00 C ATOM 873 O VAL A 58 15.036 -12.255 -2.387 1.00 0.00 O ATOM 874 CB VAL A 58 16.273 -12.234 -5.116 1.00 0.00 C ATOM 875 CG1 VAL A 58 16.218 -13.733 -5.365 1.00 0.00 C ATOM 876 CG2 VAL A 58 16.794 -11.499 -6.341 1.00 0.00 C ATOM 0 H VAL A 58 15.459 -9.932 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 58 14.178 -11.914 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 58 16.963 -12.053 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.209 -14.092 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.890 -14.241 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.515 -13.942 -6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.777 -11.888 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.107 -11.647 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 58 16.873 -10.434 -6.120 1.00 0.00 H new ATOM 886 N LEU A 59 13.348 -13.174 -3.557 1.00 0.00 N ATOM 887 CA LEU A 59 12.807 -13.903 -2.415 1.00 0.00 C ATOM 888 C LEU A 59 13.327 -15.336 -2.388 1.00 0.00 C ATOM 889 O LEU A 59 13.403 -15.999 -3.423 1.00 0.00 O ATOM 890 CB LEU A 59 11.278 -13.904 -2.462 1.00 0.00 C ATOM 891 CG LEU A 59 10.597 -12.564 -2.180 1.00 0.00 C ATOM 892 CD1 LEU A 59 9.085 -12.713 -2.230 1.00 0.00 C ATOM 893 CD2 LEU A 59 11.036 -12.016 -0.830 1.00 0.00 C ATOM 0 H LEU A 59 12.832 -13.309 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 59 13.136 -13.399 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.965 -14.248 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.913 -14.634 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 59 10.898 -11.856 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.618 -11.749 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.786 -13.060 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.766 -13.436 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.541 -11.062 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.765 -12.722 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.116 -11.870 -0.830 1.00 0.00 H new ATOM 905 N ILE A 60 13.682 -15.809 -1.198 1.00 0.00 N ATOM 906 CA ILE A 60 14.191 -17.166 -1.037 1.00 0.00 C ATOM 907 C ILE A 60 13.505 -17.876 0.125 1.00 0.00 C ATOM 908 O ILE A 60 13.560 -17.417 1.267 1.00 0.00 O ATOM 909 CB ILE A 60 15.713 -17.171 -0.800 1.00 0.00 C ATOM 910 CG1 ILE A 60 16.446 -16.662 -2.043 1.00 0.00 C ATOM 911 CG2 ILE A 60 16.188 -18.569 -0.434 1.00 0.00 C ATOM 912 CD1 ILE A 60 17.764 -15.986 -1.733 1.00 0.00 C ATOM 0 H ILE A 60 13.627 -15.273 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 60 13.973 -17.697 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 60 15.938 -16.503 0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.626 -17.499 -2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 60 15.802 -15.960 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.265 -18.556 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 60 15.686 -18.897 0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 60 15.953 -19.257 -1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 60 18.228 -15.651 -2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 60 17.589 -15.128 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 60 18.426 -16.692 -1.231 1.00 0.00 H new ATOM 924 N PHE A 61 12.861 -18.999 -0.173 1.00 0.00 N ATOM 925 CA PHE A 61 12.164 -19.775 0.847 1.00 0.00 C ATOM 926 C PHE A 61 12.325 -21.271 0.597 1.00 0.00 C ATOM 927 O PHE A 61 12.294 -21.727 -0.546 1.00 0.00 O ATOM 928 CB PHE A 61 10.679 -19.407 0.872 1.00 0.00 C ATOM 929 CG PHE A 61 9.917 -20.068 1.984 1.00 0.00 C ATOM 930 CD1 PHE A 61 9.515 -21.389 1.877 1.00 0.00 C ATOM 931 CD2 PHE A 61 9.601 -19.367 3.137 1.00 0.00 C ATOM 932 CE1 PHE A 61 8.813 -22.001 2.899 1.00 0.00 C ATOM 933 CE2 PHE A 61 8.899 -19.973 4.162 1.00 0.00 C ATOM 934 CZ PHE A 61 8.504 -21.291 4.043 1.00 0.00 C ATOM 0 H PHE A 61 12.807 -19.393 -1.112 1.00 0.00 H new ATOM 0 HA PHE A 61 12.606 -19.537 1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.582 -18.326 0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.228 -19.683 -0.081 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.753 -21.948 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.907 -18.336 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.507 -23.032 2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.659 -19.416 5.056 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.955 -21.766 4.843 1.00 0.00 H new ATOM 944 N ALA A 62 12.497 -22.030 1.674 1.00 0.00 N ATOM 945 CA ALA A 62 12.661 -23.475 1.572 1.00 0.00 C ATOM 946 C ALA A 62 13.842 -23.832 0.676 1.00 0.00 C ATOM 947 O ALA A 62 13.856 -24.884 0.040 1.00 0.00 O ATOM 948 CB ALA A 62 11.385 -24.115 1.047 1.00 0.00 C ATOM 0 H ALA A 62 12.526 -21.668 2.627 1.00 0.00 H new ATOM 0 HA ALA A 62 12.866 -23.864 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.522 -25.194 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.562 -23.898 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.155 -23.713 0.060 1.00 0.00 H new ATOM 954 N GLY A 63 14.833 -22.946 0.630 1.00 0.00 N ATOM 955 CA GLY A 63 16.005 -23.186 -0.192 1.00 0.00 C ATOM 956 C GLY A 63 15.690 -23.152 -1.674 1.00 0.00 C ATOM 957 O GLY A 63 16.384 -23.773 -2.479 1.00 0.00 O ATOM 0 H GLY A 63 14.845 -22.067 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.763 -22.435 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.432 -24.156 0.063 1.00 0.00 H new ATOM 961 N LYS A 64 14.638 -22.425 -2.037 1.00 0.00 N ATOM 962 CA LYS A 64 14.231 -22.312 -3.433 1.00 0.00 C ATOM 963 C LYS A 64 13.659 -20.928 -3.722 1.00 0.00 C ATOM 964 O LYS A 64 12.853 -20.405 -2.951 1.00 0.00 O ATOM 965 CB LYS A 64 13.193 -23.385 -3.771 1.00 0.00 C ATOM 966 CG LYS A 64 11.860 -23.184 -3.071 1.00 0.00 C ATOM 967 CD LYS A 64 10.808 -24.151 -3.587 1.00 0.00 C ATOM 968 CE LYS A 64 9.405 -23.582 -3.437 1.00 0.00 C ATOM 969 NZ LYS A 64 9.008 -22.767 -4.619 1.00 0.00 N ATOM 0 H LYS A 64 14.052 -21.905 -1.384 1.00 0.00 H new ATOM 0 HA LYS A 64 15.113 -22.459 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.030 -23.394 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.592 -24.363 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.987 -23.322 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.519 -22.160 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.001 -24.374 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.880 -25.093 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.695 -24.398 -3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.357 -22.967 -2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.046 -22.397 -4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.671 -21.974 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.029 -23.360 -5.473 1.00 0.00 H new ATOM 983 N ILE A 65 14.080 -20.340 -4.837 1.00 0.00 N ATOM 984 CA ILE A 65 13.607 -19.018 -5.228 1.00 0.00 C ATOM 985 C ILE A 65 12.132 -19.053 -5.614 1.00 0.00 C ATOM 986 O ILE A 65 11.749 -19.706 -6.586 1.00 0.00 O ATOM 987 CB ILE A 65 14.421 -18.455 -6.408 1.00 0.00 C ATOM 988 CG1 ILE A 65 15.861 -18.172 -5.974 1.00 0.00 C ATOM 989 CG2 ILE A 65 13.767 -17.193 -6.949 1.00 0.00 C ATOM 990 CD1 ILE A 65 15.987 -16.996 -5.031 1.00 0.00 C ATOM 0 H ILE A 65 14.747 -20.758 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 65 13.738 -18.368 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 65 14.441 -19.199 -7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.268 -19.060 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.469 -17.984 -6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.354 -16.807 -7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 65 12.759 -17.424 -7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 65 13.719 -16.442 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.034 -16.853 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.611 -16.097 -5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 65 15.407 -17.189 -4.129 1.00 0.00 H new ATOM 1002 N LEU A 66 11.309 -18.346 -4.848 1.00 0.00 N ATOM 1003 CA LEU A 66 9.875 -18.294 -5.110 1.00 0.00 C ATOM 1004 C LEU A 66 9.599 -17.878 -6.551 1.00 0.00 C ATOM 1005 O LEU A 66 10.348 -17.095 -7.137 1.00 0.00 O ATOM 1006 CB LEU A 66 9.195 -17.320 -4.147 1.00 0.00 C ATOM 1007 CG LEU A 66 9.556 -17.476 -2.669 1.00 0.00 C ATOM 1008 CD1 LEU A 66 8.667 -16.593 -1.806 1.00 0.00 C ATOM 1009 CD2 LEU A 66 9.439 -18.932 -2.242 1.00 0.00 C ATOM 0 H LEU A 66 11.610 -17.801 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 66 9.467 -19.293 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.441 -16.304 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.116 -17.432 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 66 10.590 -17.160 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.938 -16.717 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.800 -15.550 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.624 -16.878 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.700 -19.024 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.415 -19.275 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.118 -19.542 -2.838 1.00 0.00 H new ATOM 1021 N LYS A 67 8.519 -18.404 -7.118 1.00 0.00 N ATOM 1022 CA LYS A 67 8.141 -18.085 -8.489 1.00 0.00 C ATOM 1023 C LYS A 67 6.991 -17.084 -8.518 1.00 0.00 C ATOM 1024 O LYS A 67 6.185 -17.023 -7.590 1.00 0.00 O ATOM 1025 CB LYS A 67 7.742 -19.358 -9.239 1.00 0.00 C ATOM 1026 CG LYS A 67 8.904 -20.300 -9.500 1.00 0.00 C ATOM 1027 CD LYS A 67 9.862 -19.731 -10.533 1.00 0.00 C ATOM 1028 CE LYS A 67 11.290 -20.190 -10.281 1.00 0.00 C ATOM 1029 NZ LYS A 67 11.538 -21.555 -10.823 1.00 0.00 N ATOM 0 H LYS A 67 7.889 -19.054 -6.648 1.00 0.00 H new ATOM 0 HA LYS A 67 9.003 -17.635 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.980 -19.885 -8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.288 -19.082 -10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.440 -20.485 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.524 -21.261 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.550 -20.041 -11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.819 -18.642 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.984 -19.486 -10.740 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.490 -20.183 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.522 -21.831 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.893 -22.232 -10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.372 -21.556 -11.850 1.00 0.00 H new ATOM 1043 N ASP A 68 6.921 -16.301 -9.589 1.00 0.00 N ATOM 1044 CA ASP A 68 5.868 -15.303 -9.739 1.00 0.00 C ATOM 1045 C ASP A 68 4.490 -15.956 -9.692 1.00 0.00 C ATOM 1046 O ASP A 68 3.635 -15.600 -8.881 1.00 0.00 O ATOM 1047 CB ASP A 68 6.041 -14.543 -11.055 1.00 0.00 C ATOM 1048 CG ASP A 68 6.876 -13.288 -10.893 1.00 0.00 C ATOM 1049 OD1 ASP A 68 7.357 -13.037 -9.769 1.00 0.00 O ATOM 1050 OD2 ASP A 68 7.048 -12.557 -11.891 1.00 0.00 O ATOM 0 H ASP A 68 7.581 -16.338 -10.366 1.00 0.00 H new ATOM 0 HA ASP A 68 5.946 -14.600 -8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.511 -15.197 -11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.060 -14.275 -11.448 1.00 0.00 H new ATOM 1055 N PRO A 69 4.268 -16.935 -10.582 1.00 0.00 N ATOM 1056 CA PRO A 69 2.995 -17.658 -10.662 1.00 0.00 C ATOM 1057 C PRO A 69 2.768 -18.567 -9.459 1.00 0.00 C ATOM 1058 O PRO A 69 1.782 -19.302 -9.402 1.00 0.00 O ATOM 1059 CB PRO A 69 3.139 -18.488 -11.940 1.00 0.00 C ATOM 1060 CG PRO A 69 4.608 -18.665 -12.114 1.00 0.00 C ATOM 1061 CD PRO A 69 5.242 -17.411 -11.578 1.00 0.00 C ATOM 0 HA PRO A 69 2.141 -16.981 -10.671 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.633 -19.449 -11.847 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.698 -17.977 -12.796 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.962 -19.543 -11.574 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.862 -18.813 -13.164 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.213 -17.613 -11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.404 -16.675 -12.365 1.00 0.00 H new ATOM 1069 N ASP A 70 3.686 -18.511 -8.500 1.00 0.00 N ATOM 1070 CA ASP A 70 3.584 -19.329 -7.297 1.00 0.00 C ATOM 1071 C ASP A 70 3.192 -18.478 -6.093 1.00 0.00 C ATOM 1072 O ASP A 70 4.024 -17.775 -5.519 1.00 0.00 O ATOM 1073 CB ASP A 70 4.911 -20.039 -7.024 1.00 0.00 C ATOM 1074 CG ASP A 70 5.163 -21.184 -7.985 1.00 0.00 C ATOM 1075 OD1 ASP A 70 4.938 -21.000 -9.199 1.00 0.00 O ATOM 1076 OD2 ASP A 70 5.584 -22.266 -7.523 1.00 0.00 O ATOM 0 H ASP A 70 4.508 -17.908 -8.532 1.00 0.00 H new ATOM 0 HA ASP A 70 2.807 -20.076 -7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.727 -19.320 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.913 -20.419 -6.002 1.00 0.00 H new ATOM 1081 N SER A 71 1.919 -18.545 -5.717 1.00 0.00 N ATOM 1082 CA SER A 71 1.415 -17.777 -4.584 1.00 0.00 C ATOM 1083 C SER A 71 2.142 -18.162 -3.300 1.00 0.00 C ATOM 1084 O SER A 71 2.804 -19.198 -3.234 1.00 0.00 O ATOM 1085 CB SER A 71 -0.090 -18.000 -4.419 1.00 0.00 C ATOM 1086 OG SER A 71 -0.365 -19.326 -4.002 1.00 0.00 O ATOM 0 H SER A 71 1.218 -19.123 -6.180 1.00 0.00 H new ATOM 0 HA SER A 71 1.599 -16.721 -4.782 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.487 -17.296 -3.688 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.596 -17.800 -5.363 1.00 0.00 H new ATOM 0 HG SER A 71 -1.333 -19.443 -3.902 1.00 0.00 H new ATOM 1092 N LEU A 72 2.014 -17.320 -2.280 1.00 0.00 N ATOM 1093 CA LEU A 72 2.659 -17.571 -0.996 1.00 0.00 C ATOM 1094 C LEU A 72 2.369 -18.986 -0.508 1.00 0.00 C ATOM 1095 O LEU A 72 3.228 -19.638 0.085 1.00 0.00 O ATOM 1096 CB LEU A 72 2.183 -16.553 0.043 1.00 0.00 C ATOM 1097 CG LEU A 72 1.786 -15.179 -0.496 1.00 0.00 C ATOM 1098 CD1 LEU A 72 1.542 -14.207 0.647 1.00 0.00 C ATOM 1099 CD2 LEU A 72 2.858 -14.644 -1.435 1.00 0.00 C ATOM 0 H LEU A 72 1.470 -16.458 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 72 3.736 -17.467 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.328 -16.975 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.976 -16.417 0.779 1.00 0.00 H new ATOM 0 HG LEU A 72 0.859 -15.285 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.260 -13.234 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.738 -14.584 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.452 -14.105 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.558 -13.665 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.801 -14.554 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.983 -15.330 -2.273 1.00 0.00 H new ATOM 1111 N ALA A 73 1.152 -19.457 -0.763 1.00 0.00 N ATOM 1112 CA ALA A 73 0.750 -20.797 -0.354 1.00 0.00 C ATOM 1113 C ALA A 73 1.401 -21.858 -1.234 1.00 0.00 C ATOM 1114 O ALA A 73 1.649 -22.979 -0.789 1.00 0.00 O ATOM 1115 CB ALA A 73 -0.765 -20.930 -0.397 1.00 0.00 C ATOM 0 H ALA A 73 0.428 -18.930 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 73 1.089 -20.954 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.051 -21.936 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.213 -20.202 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.118 -20.747 -1.412 1.00 0.00 H new ATOM 1121 N GLN A 74 1.675 -21.498 -2.483 1.00 0.00 N ATOM 1122 CA GLN A 74 2.297 -22.421 -3.425 1.00 0.00 C ATOM 1123 C GLN A 74 3.772 -22.623 -3.097 1.00 0.00 C ATOM 1124 O GLN A 74 4.326 -23.700 -3.320 1.00 0.00 O ATOM 1125 CB GLN A 74 2.147 -21.901 -4.856 1.00 0.00 C ATOM 1126 CG GLN A 74 0.847 -22.321 -5.523 1.00 0.00 C ATOM 1127 CD GLN A 74 0.899 -22.195 -7.033 1.00 0.00 C ATOM 1128 OE1 GLN A 74 0.001 -21.622 -7.651 1.00 0.00 O ATOM 1129 NE2 GLN A 74 1.954 -22.730 -7.636 1.00 0.00 N ATOM 0 H GLN A 74 1.476 -20.574 -2.867 1.00 0.00 H new ATOM 0 HA GLN A 74 1.790 -23.382 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.205 -20.813 -4.846 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.985 -22.260 -5.454 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.623 -23.354 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 74 0.031 -21.708 -5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.675 -23.196 -7.085 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.044 -22.675 -8.651 1.00 0.00 H new ATOM 1138 N CYS A 75 4.403 -21.580 -2.567 1.00 0.00 N ATOM 1139 CA CYS A 75 5.816 -21.643 -2.209 1.00 0.00 C ATOM 1140 C CYS A 75 6.002 -22.300 -0.845 1.00 0.00 C ATOM 1141 O CYS A 75 7.067 -22.838 -0.544 1.00 0.00 O ATOM 1142 CB CYS A 75 6.423 -20.239 -2.199 1.00 0.00 C ATOM 1143 SG CYS A 75 6.467 -19.443 -3.822 1.00 0.00 S ATOM 0 H CYS A 75 3.959 -20.682 -2.376 1.00 0.00 H new ATOM 0 HA CYS A 75 6.329 -22.248 -2.957 1.00 0.00 H new ATOM 0 HB2 CYS A 75 5.852 -19.612 -1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.438 -20.296 -1.807 1.00 0.00 H new ATOM 0 HG CYS A 75 5.304 -18.925 -4.083 1.00 0.00 H new ATOM 1149 N GLY A 76 4.959 -22.251 -0.022 1.00 0.00 N ATOM 1150 CA GLY A 76 5.029 -22.844 1.301 1.00 0.00 C ATOM 1151 C GLY A 76 4.917 -21.811 2.405 1.00 0.00 C ATOM 1152 O GLY A 76 5.070 -22.133 3.583 1.00 0.00 O ATOM 0 H GLY A 76 4.067 -21.811 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.229 -23.577 1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.971 -23.382 1.405 1.00 0.00 H new ATOM 1156 N VAL A 77 4.650 -20.566 2.024 1.00 0.00 N ATOM 1157 CA VAL A 77 4.518 -19.482 2.991 1.00 0.00 C ATOM 1158 C VAL A 77 3.195 -19.575 3.743 1.00 0.00 C ATOM 1159 O VAL A 77 2.188 -20.022 3.194 1.00 0.00 O ATOM 1160 CB VAL A 77 4.612 -18.106 2.307 1.00 0.00 C ATOM 1161 CG1 VAL A 77 4.357 -16.992 3.311 1.00 0.00 C ATOM 1162 CG2 VAL A 77 5.969 -17.933 1.641 1.00 0.00 C ATOM 0 H VAL A 77 4.521 -20.283 1.053 1.00 0.00 H new ATOM 0 HA VAL A 77 5.342 -19.585 3.697 1.00 0.00 H new ATOM 0 HB VAL A 77 3.844 -18.051 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.428 -16.027 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.360 -17.107 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.100 -17.042 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.017 -16.955 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.755 -18.009 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.108 -18.711 0.890 1.00 0.00 H new ATOM 1172 N ARG A 78 3.205 -19.149 5.002 1.00 0.00 N ATOM 1173 CA ARG A 78 2.006 -19.184 5.830 1.00 0.00 C ATOM 1174 C ARG A 78 1.959 -17.983 6.770 1.00 0.00 C ATOM 1175 O ARG A 78 2.859 -17.142 6.764 1.00 0.00 O ATOM 1176 CB ARG A 78 1.958 -20.481 6.639 1.00 0.00 C ATOM 1177 CG ARG A 78 2.396 -21.706 5.854 1.00 0.00 C ATOM 1178 CD ARG A 78 1.308 -22.177 4.903 1.00 0.00 C ATOM 1179 NE ARG A 78 0.282 -22.959 5.588 1.00 0.00 N ATOM 1180 CZ ARG A 78 -0.656 -23.655 4.957 1.00 0.00 C ATOM 1181 NH1 ARG A 78 -0.698 -23.667 3.631 1.00 0.00 N ATOM 1182 NH2 ARG A 78 -1.555 -24.341 5.651 1.00 0.00 N ATOM 0 H ARG A 78 4.030 -18.776 5.471 1.00 0.00 H new ATOM 0 HA ARG A 78 1.138 -19.142 5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.596 -20.375 7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.941 -20.636 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.299 -21.474 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.650 -22.510 6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.846 -21.313 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.754 -22.779 4.112 1.00 0.00 H new ATOM 0 HE ARG A 78 0.286 -22.971 6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.009 -23.141 3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.420 -24.203 3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.526 -24.334 6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.275 -24.875 5.165 1.00 0.00 H new ATOM 1196 N ASP A 79 0.905 -17.909 7.575 1.00 0.00 N ATOM 1197 CA ASP A 79 0.740 -16.811 8.521 1.00 0.00 C ATOM 1198 C ASP A 79 1.723 -16.942 9.680 1.00 0.00 C ATOM 1199 O ASP A 79 1.480 -17.681 10.633 1.00 0.00 O ATOM 1200 CB ASP A 79 -0.693 -16.778 9.052 1.00 0.00 C ATOM 1201 CG ASP A 79 -0.935 -15.616 9.995 1.00 0.00 C ATOM 1202 OD1 ASP A 79 -0.124 -15.429 10.926 1.00 0.00 O ATOM 1203 OD2 ASP A 79 -1.935 -14.894 9.803 1.00 0.00 O ATOM 0 H ASP A 79 0.152 -18.596 7.592 1.00 0.00 H new ATOM 0 HA ASP A 79 0.946 -15.878 7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.386 -16.712 8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.907 -17.713 9.570 1.00 0.00 H new ATOM 1208 N GLY A 80 2.835 -16.218 9.591 1.00 0.00 N ATOM 1209 CA GLY A 80 3.838 -16.268 10.639 1.00 0.00 C ATOM 1210 C GLY A 80 5.162 -16.819 10.148 1.00 0.00 C ATOM 1211 O GLY A 80 6.069 -17.075 10.941 1.00 0.00 O ATOM 0 H GLY A 80 3.059 -15.598 8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.991 -15.266 11.039 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.472 -16.886 11.459 1.00 0.00 H new ATOM 1215 N LEU A 81 5.274 -17.005 8.837 1.00 0.00 N ATOM 1216 CA LEU A 81 6.497 -17.531 8.241 1.00 0.00 C ATOM 1217 C LEU A 81 7.455 -16.402 7.877 1.00 0.00 C ATOM 1218 O LEU A 81 7.081 -15.229 7.882 1.00 0.00 O ATOM 1219 CB LEU A 81 6.167 -18.357 6.996 1.00 0.00 C ATOM 1220 CG LEU A 81 5.391 -19.652 7.236 1.00 0.00 C ATOM 1221 CD1 LEU A 81 5.767 -20.700 6.200 1.00 0.00 C ATOM 1222 CD2 LEU A 81 5.647 -20.174 8.642 1.00 0.00 C ATOM 0 H LEU A 81 4.533 -16.799 8.167 1.00 0.00 H new ATOM 0 HA LEU A 81 6.983 -18.172 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.591 -17.733 6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.101 -18.605 6.491 1.00 0.00 H new ATOM 0 HG LEU A 81 4.327 -19.439 7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.205 -21.615 6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.532 -20.327 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.834 -20.910 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.087 -21.096 8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.712 -20.371 8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.326 -19.429 9.371 1.00 0.00 H new ATOM 1234 N THR A 82 8.695 -16.764 7.558 1.00 0.00 N ATOM 1235 CA THR A 82 9.707 -15.782 7.190 1.00 0.00 C ATOM 1236 C THR A 82 10.307 -16.096 5.824 1.00 0.00 C ATOM 1237 O THR A 82 10.289 -17.243 5.376 1.00 0.00 O ATOM 1238 CB THR A 82 10.838 -15.722 8.234 1.00 0.00 C ATOM 1239 OG1 THR A 82 10.285 -15.594 9.549 1.00 0.00 O ATOM 1240 CG2 THR A 82 11.771 -14.554 7.954 1.00 0.00 C ATOM 0 H THR A 82 9.022 -17.730 7.547 1.00 0.00 H new ATOM 0 HA THR A 82 9.208 -14.814 7.150 1.00 0.00 H new ATOM 0 HB THR A 82 11.411 -16.647 8.170 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.010 -15.558 10.207 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.562 -14.532 8.704 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.213 -14.670 6.964 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.208 -13.621 7.993 1.00 0.00 H new ATOM 1248 N VAL A 83 10.839 -15.071 5.167 1.00 0.00 N ATOM 1249 CA VAL A 83 11.447 -15.239 3.852 1.00 0.00 C ATOM 1250 C VAL A 83 12.680 -14.355 3.700 1.00 0.00 C ATOM 1251 O VAL A 83 12.582 -13.128 3.700 1.00 0.00 O ATOM 1252 CB VAL A 83 10.450 -14.907 2.726 1.00 0.00 C ATOM 1253 CG1 VAL A 83 11.019 -15.307 1.374 1.00 0.00 C ATOM 1254 CG2 VAL A 83 9.116 -15.594 2.977 1.00 0.00 C ATOM 0 H VAL A 83 10.862 -14.116 5.523 1.00 0.00 H new ATOM 0 HA VAL A 83 11.741 -16.286 3.771 1.00 0.00 H new ATOM 0 HB VAL A 83 10.282 -13.830 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.301 -15.065 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.947 -14.765 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.217 -16.379 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.423 -15.349 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.264 -16.673 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.704 -15.253 3.927 1.00 0.00 H new ATOM 1264 N HIS A 84 13.842 -14.988 3.570 1.00 0.00 N ATOM 1265 CA HIS A 84 15.096 -14.259 3.416 1.00 0.00 C ATOM 1266 C HIS A 84 15.182 -13.611 2.038 1.00 0.00 C ATOM 1267 O HIS A 84 15.437 -14.284 1.038 1.00 0.00 O ATOM 1268 CB HIS A 84 16.285 -15.198 3.625 1.00 0.00 C ATOM 1269 CG HIS A 84 16.285 -15.876 4.961 1.00 0.00 C ATOM 1270 ND1 HIS A 84 15.550 -16.913 5.427 1.00 0.00 N flip ATOM 1271 CD2 HIS A 84 17.112 -15.499 5.997 1.00 0.00 C flip ATOM 1272 CE1 HIS A 84 15.943 -17.141 6.722 1.00 0.00 C flip ATOM 1273 NE2 HIS A 84 16.888 -16.275 7.042 1.00 0.00 N flip ATOM 0 H HIS A 84 13.941 -16.003 3.568 1.00 0.00 H new ATOM 0 HA HIS A 84 15.126 -13.473 4.171 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.281 -15.956 2.842 1.00 0.00 H new ATOM 0 HB3 HIS A 84 17.209 -14.631 3.515 1.00 0.00 H new ATOM 0 HD2 HIS A 84 17.831 -14.694 5.960 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.544 -17.904 7.374 1.00 0.00 H new ATOM 0 HE2 HIS A 84 17.363 -16.216 7.942 1.00 0.00 H new ATOM 1282 N LEU A 85 14.966 -12.301 1.992 1.00 0.00 N ATOM 1283 CA LEU A 85 15.018 -11.561 0.736 1.00 0.00 C ATOM 1284 C LEU A 85 16.427 -11.042 0.467 1.00 0.00 C ATOM 1285 O LEU A 85 17.193 -10.785 1.396 1.00 0.00 O ATOM 1286 CB LEU A 85 14.030 -10.393 0.767 1.00 0.00 C ATOM 1287 CG LEU A 85 14.242 -9.306 -0.287 1.00 0.00 C ATOM 1288 CD1 LEU A 85 13.534 -9.673 -1.582 1.00 0.00 C ATOM 1289 CD2 LEU A 85 13.751 -7.961 0.229 1.00 0.00 C ATOM 0 H LEU A 85 14.753 -11.730 2.810 1.00 0.00 H new ATOM 0 HA LEU A 85 14.741 -12.242 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.023 -10.792 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.077 -9.930 1.752 1.00 0.00 H new ATOM 0 HG LEU A 85 15.310 -9.227 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.696 -8.888 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.932 -10.615 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.466 -9.780 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.910 -7.199 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.688 -8.026 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.303 -7.693 1.130 1.00 0.00 H new ATOM 1301 N VAL A 86 16.762 -10.888 -0.810 1.00 0.00 N ATOM 1302 CA VAL A 86 18.078 -10.396 -1.201 1.00 0.00 C ATOM 1303 C VAL A 86 17.973 -9.398 -2.349 1.00 0.00 C ATOM 1304 O VAL A 86 17.692 -9.773 -3.487 1.00 0.00 O ATOM 1305 CB VAL A 86 19.006 -11.551 -1.623 1.00 0.00 C ATOM 1306 CG1 VAL A 86 20.300 -11.009 -2.212 1.00 0.00 C ATOM 1307 CG2 VAL A 86 19.290 -12.464 -0.441 1.00 0.00 C ATOM 0 H VAL A 86 16.140 -11.097 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 86 18.502 -9.899 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 86 18.502 -12.136 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 86 20.943 -11.839 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 86 20.074 -10.400 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 86 20.811 -10.399 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 86 19.947 -13.274 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 86 19.773 -11.893 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 86 18.354 -12.880 -0.069 1.00 0.00 H new ATOM 1317 N ILE A 87 18.200 -8.125 -2.041 1.00 0.00 N ATOM 1318 CA ILE A 87 18.133 -7.073 -3.048 1.00 0.00 C ATOM 1319 C ILE A 87 19.402 -7.038 -3.892 1.00 0.00 C ATOM 1320 O ILE A 87 20.503 -6.860 -3.372 1.00 0.00 O ATOM 1321 CB ILE A 87 17.920 -5.690 -2.403 1.00 0.00 C ATOM 1322 CG1 ILE A 87 16.791 -5.752 -1.373 1.00 0.00 C ATOM 1323 CG2 ILE A 87 17.615 -4.650 -3.470 1.00 0.00 C ATOM 1324 CD1 ILE A 87 17.240 -6.234 -0.011 1.00 0.00 C ATOM 0 H ILE A 87 18.432 -7.798 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 87 17.281 -7.302 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 87 18.837 -5.399 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 87 16.349 -4.761 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 87 16.008 -6.414 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 87 17.467 -3.678 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 87 18.449 -4.591 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 87 16.710 -4.934 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 87 16.387 -6.252 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 87 17.655 -7.238 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 87 18.001 -5.559 0.381 1.00 0.00 H new ATOM 1336 N LYS A 88 19.240 -7.206 -5.200 1.00 0.00 N ATOM 1337 CA LYS A 88 20.372 -7.191 -6.120 1.00 0.00 C ATOM 1338 C LYS A 88 20.970 -5.792 -6.223 1.00 0.00 C ATOM 1339 O LYS A 88 22.160 -5.634 -6.497 1.00 0.00 O ATOM 1340 CB LYS A 88 19.936 -7.674 -7.505 1.00 0.00 C ATOM 1341 CG LYS A 88 19.204 -9.005 -7.483 1.00 0.00 C ATOM 1342 CD LYS A 88 20.165 -10.172 -7.631 1.00 0.00 C ATOM 1343 CE LYS A 88 20.659 -10.663 -6.278 1.00 0.00 C ATOM 1344 NZ LYS A 88 21.568 -11.834 -6.411 1.00 0.00 N ATOM 0 H LYS A 88 18.335 -7.354 -5.647 1.00 0.00 H new ATOM 0 HA LYS A 88 21.134 -7.865 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 88 19.290 -6.921 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 88 20.815 -7.763 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.653 -9.103 -6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.471 -9.032 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 88 19.669 -10.988 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 88 21.015 -9.869 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 88 21.181 -9.854 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 88 19.806 -10.934 -5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.883 -12.138 -5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 21.062 -12.615 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.395 -11.568 -6.983 1.00 0.00 H new ATOM 1358 N ARG A 89 20.138 -4.780 -6.001 1.00 0.00 N ATOM 1359 CA ARG A 89 20.586 -3.394 -6.068 1.00 0.00 C ATOM 1360 C ARG A 89 21.229 -3.095 -7.420 1.00 0.00 C ATOM 1361 O ARG A 89 22.301 -2.496 -7.488 1.00 0.00 O ATOM 1362 CB ARG A 89 21.581 -3.101 -4.943 1.00 0.00 C ATOM 1363 CG ARG A 89 20.925 -2.605 -3.665 1.00 0.00 C ATOM 1364 CD ARG A 89 20.803 -1.089 -3.653 1.00 0.00 C ATOM 1365 NE ARG A 89 20.407 -0.582 -2.342 1.00 0.00 N ATOM 1366 CZ ARG A 89 20.471 0.700 -2.001 1.00 0.00 C ATOM 1367 NH1 ARG A 89 20.912 1.600 -2.869 1.00 0.00 N ATOM 1368 NH2 ARG A 89 20.092 1.085 -0.789 1.00 0.00 N ATOM 0 H ARG A 89 19.150 -4.894 -5.773 1.00 0.00 H new ATOM 0 HA ARG A 89 19.714 -2.751 -5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 89 22.146 -4.007 -4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 89 22.297 -2.355 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.936 -3.051 -3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 89 21.510 -2.931 -2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 89 21.757 -0.646 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 89 20.071 -0.778 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 89 20.063 -1.248 -1.651 1.00 0.00 H new ATOM 0 HH11 ARG A 89 21.203 1.309 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.960 2.584 -2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 89 19.751 0.396 -0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.142 2.070 -0.528 1.00 0.00 H new ATOM 1382 N GLN A 90 20.565 -3.519 -8.491 1.00 0.00 N ATOM 1383 CA GLN A 90 21.073 -3.298 -9.840 1.00 0.00 C ATOM 1384 C GLN A 90 20.347 -2.136 -10.511 1.00 0.00 C ATOM 1385 O GLN A 90 19.897 -2.248 -11.652 1.00 0.00 O ATOM 1386 CB GLN A 90 20.917 -4.566 -10.680 1.00 0.00 C ATOM 1387 CG GLN A 90 21.829 -4.606 -11.896 1.00 0.00 C ATOM 1388 CD GLN A 90 23.274 -4.305 -11.552 1.00 0.00 C ATOM 1389 OE1 GLN A 90 23.959 -5.119 -10.931 1.00 0.00 O ATOM 1390 NE2 GLN A 90 23.747 -3.132 -11.955 1.00 0.00 N ATOM 0 H GLN A 90 19.676 -4.017 -8.451 1.00 0.00 H new ATOM 0 HA GLN A 90 22.131 -3.048 -9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 90 21.122 -5.434 -10.054 1.00 0.00 H new ATOM 0 HB3 GLN A 90 19.881 -4.648 -11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 90 21.767 -5.591 -12.359 1.00 0.00 H new ATOM 0 HG3 GLN A 90 21.477 -3.884 -12.633 1.00 0.00 H new ATOM 0 HE21 GLN A 90 23.144 -2.488 -12.467 1.00 0.00 H new ATOM 0 HE22 GLN A 90 24.713 -2.875 -11.753 1.00 0.00 H new ATOM 1399 N HIS A 91 20.236 -1.021 -9.796 1.00 0.00 N ATOM 1400 CA HIS A 91 19.565 0.162 -10.323 1.00 0.00 C ATOM 1401 C HIS A 91 20.293 1.434 -9.899 1.00 0.00 C ATOM 1402 O HIS A 91 20.385 1.741 -8.710 1.00 0.00 O ATOM 1403 CB HIS A 91 18.114 0.207 -9.842 1.00 0.00 C ATOM 1404 CG HIS A 91 17.444 1.524 -10.083 1.00 0.00 C ATOM 1405 ND1 HIS A 91 16.783 1.829 -11.254 1.00 0.00 N ATOM 1406 CD2 HIS A 91 17.335 2.619 -9.295 1.00 0.00 C ATOM 1407 CE1 HIS A 91 16.297 3.055 -11.176 1.00 0.00 C ATOM 1408 NE2 HIS A 91 16.617 3.556 -9.996 1.00 0.00 N ATOM 0 H HIS A 91 20.602 -0.912 -8.850 1.00 0.00 H new ATOM 0 HA HIS A 91 19.578 0.103 -11.411 1.00 0.00 H new ATOM 0 HB2 HIS A 91 17.548 -0.577 -10.346 1.00 0.00 H new ATOM 0 HB3 HIS A 91 18.086 -0.016 -8.775 1.00 0.00 H new ATOM 0 HD1 HIS A 91 16.685 1.206 -12.055 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.738 2.734 -8.300 1.00 0.00 H new ATOM 0 HE1 HIS A 91 15.734 3.562 -11.946 1.00 0.00 H new ATOM 1417 N ARG A 92 20.809 2.169 -10.879 1.00 0.00 N ATOM 1418 CA ARG A 92 21.531 3.406 -10.607 1.00 0.00 C ATOM 1419 C ARG A 92 20.737 4.616 -11.091 1.00 0.00 C ATOM 1420 O ARG A 92 21.070 5.222 -12.109 1.00 0.00 O ATOM 1421 CB ARG A 92 22.903 3.380 -11.282 1.00 0.00 C ATOM 1422 CG ARG A 92 23.959 4.189 -10.547 1.00 0.00 C ATOM 1423 CD ARG A 92 25.363 3.784 -10.966 1.00 0.00 C ATOM 1424 NE ARG A 92 25.792 2.547 -10.318 1.00 0.00 N ATOM 1425 CZ ARG A 92 27.066 2.208 -10.152 1.00 0.00 C ATOM 1426 NH1 ARG A 92 28.030 3.009 -10.584 1.00 0.00 N ATOM 1427 NH2 ARG A 92 27.376 1.066 -9.553 1.00 0.00 N ATOM 0 H ARG A 92 20.740 1.929 -11.868 1.00 0.00 H new ATOM 0 HA ARG A 92 21.666 3.489 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 92 23.240 2.346 -11.362 1.00 0.00 H new ATOM 0 HB3 ARG A 92 22.806 3.763 -12.298 1.00 0.00 H new ATOM 0 HG2 ARG A 92 23.810 5.250 -10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 92 23.844 4.048 -9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 92 25.396 3.657 -12.048 1.00 0.00 H new ATOM 0 HD3 ARG A 92 26.060 4.584 -10.718 1.00 0.00 H new ATOM 0 HE ARG A 92 25.074 1.909 -9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 92 27.794 3.888 -11.045 1.00 0.00 H new ATOM 0 HH12 ARG A 92 29.007 2.746 -10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.636 0.448 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 92 28.354 0.806 -9.426 1.00 0.00 H new ATOM 1441 N ALA A 93 19.685 4.961 -10.355 1.00 0.00 N ATOM 1442 CA ALA A 93 18.845 6.098 -10.709 1.00 0.00 C ATOM 1443 C ALA A 93 17.883 6.443 -9.577 1.00 0.00 C ATOM 1444 O ALA A 93 17.826 5.745 -8.565 1.00 0.00 O ATOM 1445 CB ALA A 93 18.076 5.808 -11.989 1.00 0.00 C ATOM 0 H ALA A 93 19.395 4.469 -9.510 1.00 0.00 H new ATOM 0 HA ALA A 93 19.492 6.959 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.453 6.666 -12.241 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.779 5.619 -12.801 1.00 0.00 H new ATOM 0 HB3 ALA A 93 17.445 4.931 -11.844 1.00 0.00 H new ATOM 1451 N MET A 94 17.130 7.523 -9.755 1.00 0.00 N ATOM 1452 CA MET A 94 16.169 7.959 -8.748 1.00 0.00 C ATOM 1453 C MET A 94 14.752 7.958 -9.312 1.00 0.00 C ATOM 1454 O MET A 94 13.985 8.894 -9.090 1.00 0.00 O ATOM 1455 CB MET A 94 16.529 9.357 -8.242 1.00 0.00 C ATOM 1456 CG MET A 94 17.485 9.349 -7.061 1.00 0.00 C ATOM 1457 SD MET A 94 18.175 10.978 -6.715 1.00 0.00 S ATOM 1458 CE MET A 94 19.257 11.195 -8.125 1.00 0.00 C ATOM 0 H MET A 94 17.166 8.112 -10.587 1.00 0.00 H new ATOM 0 HA MET A 94 16.209 7.257 -7.915 1.00 0.00 H new ATOM 0 HB2 MET A 94 16.977 9.925 -9.057 1.00 0.00 H new ATOM 0 HB3 MET A 94 15.615 9.877 -7.955 1.00 0.00 H new ATOM 0 HG2 MET A 94 16.961 8.985 -6.177 1.00 0.00 H new ATOM 0 HG3 MET A 94 18.297 8.650 -7.261 1.00 0.00 H new ATOM 0 HE1 MET A 94 20.025 11.930 -7.884 1.00 0.00 H new ATOM 0 HE2 MET A 94 19.729 10.244 -8.371 1.00 0.00 H new ATOM 0 HE3 MET A 94 18.676 11.544 -8.979 1.00 0.00 H new ATOM 1468 N GLY A 95 14.411 6.901 -10.044 1.00 0.00 N ATOM 1469 CA GLY A 95 13.087 6.799 -10.628 1.00 0.00 C ATOM 1470 C GLY A 95 12.919 7.692 -11.842 1.00 0.00 C ATOM 1471 O GLY A 95 13.805 7.770 -12.691 1.00 0.00 O ATOM 0 H GLY A 95 15.029 6.114 -10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.898 5.764 -10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.341 7.065 -9.879 1.00 0.00 H new ATOM 1475 N ASN A 96 11.776 8.366 -11.924 1.00 0.00 N ATOM 1476 CA ASN A 96 11.493 9.256 -13.044 1.00 0.00 C ATOM 1477 C ASN A 96 10.758 10.507 -12.573 1.00 0.00 C ATOM 1478 O ASN A 96 9.682 10.420 -11.982 1.00 0.00 O ATOM 1479 CB ASN A 96 10.661 8.530 -14.103 1.00 0.00 C ATOM 1480 CG ASN A 96 10.253 9.441 -15.244 1.00 0.00 C ATOM 1481 OD1 ASN A 96 10.501 10.647 -15.209 1.00 0.00 O ATOM 1482 ND2 ASN A 96 9.623 8.868 -16.263 1.00 0.00 N ATOM 0 H ASN A 96 11.032 8.313 -11.229 1.00 0.00 H new ATOM 0 HA ASN A 96 12.443 9.559 -13.484 1.00 0.00 H new ATOM 0 HB2 ASN A 96 11.234 7.691 -14.499 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.768 8.114 -13.637 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.324 9.431 -17.059 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.439 7.865 -16.250 1.00 0.00 H new ATOM 1489 N GLU A 97 11.346 11.669 -12.840 1.00 0.00 N ATOM 1490 CA GLU A 97 10.746 12.937 -12.442 1.00 0.00 C ATOM 1491 C GLU A 97 9.384 13.125 -13.103 1.00 0.00 C ATOM 1492 O GLU A 97 9.284 13.227 -14.327 1.00 0.00 O ATOM 1493 CB GLU A 97 11.669 14.101 -12.811 1.00 0.00 C ATOM 1494 CG GLU A 97 12.903 14.201 -11.930 1.00 0.00 C ATOM 1495 CD GLU A 97 13.480 15.603 -11.892 1.00 0.00 C ATOM 1496 OE1 GLU A 97 12.725 16.546 -11.577 1.00 0.00 O ATOM 1497 OE2 GLU A 97 14.686 15.756 -12.177 1.00 0.00 O ATOM 0 H GLU A 97 12.236 11.758 -13.330 1.00 0.00 H new ATOM 0 HA GLU A 97 10.607 12.921 -11.361 1.00 0.00 H new ATOM 0 HB2 GLU A 97 11.982 13.991 -13.849 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.109 15.034 -12.744 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.648 13.889 -10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.662 13.509 -12.295 1.00 0.00 H new ATOM 1504 N CYS A 98 8.337 13.170 -12.286 1.00 0.00 N ATOM 1505 CA CYS A 98 6.980 13.344 -12.791 1.00 0.00 C ATOM 1506 C CYS A 98 6.007 13.619 -11.649 1.00 0.00 C ATOM 1507 O CYS A 98 6.217 13.206 -10.508 1.00 0.00 O ATOM 1508 CB CYS A 98 6.538 12.102 -13.565 1.00 0.00 C ATOM 1509 SG CYS A 98 6.531 10.583 -12.584 1.00 0.00 S ATOM 0 H CYS A 98 8.402 13.088 -11.271 1.00 0.00 H new ATOM 0 HA CYS A 98 6.976 14.202 -13.463 1.00 0.00 H new ATOM 0 HB2 CYS A 98 5.536 12.271 -13.960 1.00 0.00 H new ATOM 0 HB3 CYS A 98 7.199 11.966 -14.421 1.00 0.00 H new ATOM 0 HG CYS A 98 7.744 10.301 -12.213 1.00 0.00 H new ATOM 1515 N PRO A 99 4.916 14.335 -11.960 1.00 0.00 N ATOM 1516 CA PRO A 99 3.889 14.683 -10.974 1.00 0.00 C ATOM 1517 C PRO A 99 3.084 13.469 -10.523 1.00 0.00 C ATOM 1518 O PRO A 99 2.438 12.805 -11.334 1.00 0.00 O ATOM 1519 CB PRO A 99 2.994 15.669 -11.727 1.00 0.00 C ATOM 1520 CG PRO A 99 3.179 15.328 -13.165 1.00 0.00 C ATOM 1521 CD PRO A 99 4.601 14.860 -13.300 1.00 0.00 C ATOM 0 HA PRO A 99 4.322 15.092 -10.061 1.00 0.00 H new ATOM 0 HB2 PRO A 99 1.951 15.566 -11.427 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.283 16.700 -11.524 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.481 14.550 -13.474 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.992 16.195 -13.799 1.00 0.00 H new ATOM 0 HD2 PRO A 99 4.700 14.091 -14.066 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.268 15.676 -13.579 1.00 0.00 H new ATOM 1529 N ALA A 100 3.126 13.185 -9.226 1.00 0.00 N ATOM 1530 CA ALA A 100 2.397 12.052 -8.668 1.00 0.00 C ATOM 1531 C ALA A 100 1.065 12.496 -8.073 1.00 0.00 C ATOM 1532 O ALA A 100 0.953 12.705 -6.865 1.00 0.00 O ATOM 1533 CB ALA A 100 3.241 11.350 -7.614 1.00 0.00 C ATOM 0 H ALA A 100 3.657 13.724 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 100 2.188 11.351 -9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.685 10.506 -7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.165 10.991 -8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.479 12.050 -6.813 1.00 0.00 H new ATOM 1539 N SER A 101 0.058 12.638 -8.928 1.00 0.00 N ATOM 1540 CA SER A 101 -1.266 13.061 -8.487 1.00 0.00 C ATOM 1541 C SER A 101 -2.175 11.856 -8.265 1.00 0.00 C ATOM 1542 O SER A 101 -2.061 10.843 -8.953 1.00 0.00 O ATOM 1543 CB SER A 101 -1.892 14.004 -9.517 1.00 0.00 C ATOM 1544 OG SER A 101 -1.114 15.177 -9.674 1.00 0.00 O ATOM 0 H SER A 101 0.133 12.466 -9.931 1.00 0.00 H new ATOM 0 HA SER A 101 -1.155 13.590 -7.540 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.982 13.493 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 101 -2.901 14.272 -9.203 1.00 0.00 H new ATOM 0 HG SER A 101 -1.534 15.762 -10.338 1.00 0.00 H new ATOM 1550 N GLY A 102 -3.079 11.976 -7.296 1.00 0.00 N ATOM 1551 CA GLY A 102 -3.995 10.890 -6.999 1.00 0.00 C ATOM 1552 C GLY A 102 -5.436 11.250 -7.298 1.00 0.00 C ATOM 1553 O GLY A 102 -5.757 12.389 -7.636 1.00 0.00 O ATOM 0 H GLY A 102 -3.193 12.805 -6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.714 10.012 -7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.902 10.618 -5.948 1.00 0.00 H new ATOM 1557 N PRO A 103 -6.335 10.261 -7.176 1.00 0.00 N ATOM 1558 CA PRO A 103 -7.765 10.455 -7.432 1.00 0.00 C ATOM 1559 C PRO A 103 -8.432 11.324 -6.371 1.00 0.00 C ATOM 1560 O PRO A 103 -7.859 11.574 -5.311 1.00 0.00 O ATOM 1561 CB PRO A 103 -8.329 9.032 -7.390 1.00 0.00 C ATOM 1562 CG PRO A 103 -7.377 8.273 -6.530 1.00 0.00 C ATOM 1563 CD PRO A 103 -6.023 8.878 -6.777 1.00 0.00 C ATOM 0 HA PRO A 103 -7.944 10.972 -8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.336 9.017 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.390 8.601 -8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.653 8.351 -5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.383 7.213 -6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.400 8.848 -5.883 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.482 8.346 -7.560 1.00 0.00 H new ATOM 1571 N SER A 104 -9.645 11.780 -6.664 1.00 0.00 N ATOM 1572 CA SER A 104 -10.388 12.625 -5.736 1.00 0.00 C ATOM 1573 C SER A 104 -11.342 11.790 -4.887 1.00 0.00 C ATOM 1574 O SER A 104 -11.509 10.592 -5.117 1.00 0.00 O ATOM 1575 CB SER A 104 -11.171 13.693 -6.501 1.00 0.00 C ATOM 1576 OG SER A 104 -12.333 13.145 -7.099 1.00 0.00 O ATOM 0 H SER A 104 -10.134 11.579 -7.536 1.00 0.00 H new ATOM 0 HA SER A 104 -9.672 13.113 -5.075 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.453 14.498 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.536 14.133 -7.270 1.00 0.00 H new ATOM 0 HG SER A 104 -12.816 13.849 -7.580 1.00 0.00 H new ATOM 1582 N SER A 105 -11.965 12.432 -3.904 1.00 0.00 N ATOM 1583 CA SER A 105 -12.899 11.749 -3.017 1.00 0.00 C ATOM 1584 C SER A 105 -13.757 10.754 -3.793 1.00 0.00 C ATOM 1585 O SER A 105 -14.128 11.000 -4.940 1.00 0.00 O ATOM 1586 CB SER A 105 -13.795 12.765 -2.305 1.00 0.00 C ATOM 1587 OG SER A 105 -14.247 12.261 -1.060 1.00 0.00 O ATOM 0 H SER A 105 -11.840 13.424 -3.702 1.00 0.00 H new ATOM 0 HA SER A 105 -12.320 11.201 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.245 13.693 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 105 -14.651 13.005 -2.936 1.00 0.00 H new ATOM 0 HG SER A 105 -14.816 12.929 -0.624 1.00 0.00 H new ATOM 1593 N GLY A 106 -14.069 9.628 -3.157 1.00 0.00 N ATOM 1594 CA GLY A 106 -14.880 8.613 -3.802 1.00 0.00 C ATOM 1595 C GLY A 106 -14.202 7.257 -3.825 1.00 0.00 C ATOM 1596 O GLY A 106 -14.534 6.376 -3.032 1.00 0.00 O ATOM 0 H GLY A 106 -13.774 9.402 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.834 8.530 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.100 8.923 -4.824 1.00 0.00 H new TER 1600 GLY A 106