USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 94 CYS SG : rot 180:sc= -1.13 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.958 K(o=-2.1,f=-1.1) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 66:sc= -0.17 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 22 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -3.11 K(o=-3.1,f=-9.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -144:sc= 1.1 USER MOD Single : A 37 LYS NZ :NH3+ -169:sc=-0.000973 (180deg=-0.0963) USER MOD Single : A 44 MET CE :methyl -166:sc= -4.5! (180deg=-5.67!) USER MOD Single : A 50 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD Single : A 52 GLN : amide:sc= 0.956 K(o=0.96,f=-2.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 72 ASN : amide:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -0.0164 (180deg=-0.201) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 104:sc= 0.422 USER MOD Single : A 80 SER OG : rot 180:sc= -0.203 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.348 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0518) USER MOD Single : A 89 TYR OH : rot 12:sc= 1.21 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.0375 X(o=-0.037,f=-0.037) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 97:sc= -1.57 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.159 21.989 4.421 1.00 0.00 N ATOM 67 CA GLU A 8 1.924 20.748 4.410 1.00 0.00 C ATOM 68 C GLU A 8 1.084 19.596 3.865 1.00 0.00 C ATOM 69 O GLU A 8 -0.112 19.749 3.614 1.00 0.00 O ATOM 70 CB GLU A 8 2.416 20.413 5.819 1.00 0.00 C ATOM 71 CG GLU A 8 1.296 20.271 6.837 1.00 0.00 C ATOM 72 CD GLU A 8 1.732 20.647 8.240 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.749 20.097 8.712 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.056 21.490 8.866 1.00 0.00 O ATOM 0 HA GLU A 8 2.785 20.888 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.985 19.484 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.101 21.194 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.458 20.901 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.937 19.242 6.836 1.00 0.00 H new ATOM 81 N VAL A 9 1.718 18.442 3.685 1.00 0.00 N ATOM 82 CA VAL A 9 1.031 17.263 3.171 1.00 0.00 C ATOM 83 C VAL A 9 0.169 16.616 4.249 1.00 0.00 C ATOM 84 O VAL A 9 0.587 16.490 5.400 1.00 0.00 O ATOM 85 CB VAL A 9 2.029 16.221 2.634 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.878 15.661 3.765 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.294 15.106 1.905 1.00 0.00 C ATOM 0 H VAL A 9 2.707 18.298 3.888 1.00 0.00 H new ATOM 0 HA VAL A 9 0.394 17.600 2.353 1.00 0.00 H new ATOM 0 HB VAL A 9 2.693 16.713 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.577 14.926 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.433 16.471 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.233 15.184 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.015 14.378 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.605 14.615 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.735 15.525 1.068 1.00 0.00 H new ATOM 97 N ASP A 10 -1.037 16.208 3.869 1.00 0.00 N ATOM 98 CA ASP A 10 -1.958 15.571 4.803 1.00 0.00 C ATOM 99 C ASP A 10 -2.302 14.157 4.348 1.00 0.00 C ATOM 100 O ASP A 10 -2.635 13.915 3.187 1.00 0.00 O ATOM 101 CB ASP A 10 -3.236 16.402 4.937 1.00 0.00 C ATOM 102 CG ASP A 10 -3.882 16.253 6.300 1.00 0.00 C ATOM 103 OD1 ASP A 10 -3.536 17.037 7.210 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.734 15.354 6.458 1.00 0.00 O ATOM 0 H ASP A 10 -1.399 16.307 2.921 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.468 15.511 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.003 17.452 4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.945 16.099 4.167 1.00 0.00 H new ATOM 109 N PRO A 11 -2.220 13.198 5.282 1.00 0.00 N ATOM 110 CA PRO A 11 -2.518 11.790 5.001 1.00 0.00 C ATOM 111 C PRO A 11 -4.003 11.552 4.747 1.00 0.00 C ATOM 112 O PRO A 11 -4.375 10.805 3.842 1.00 0.00 O ATOM 113 CB PRO A 11 -2.072 11.071 6.276 1.00 0.00 C ATOM 114 CG PRO A 11 -2.163 12.104 7.346 1.00 0.00 C ATOM 115 CD PRO A 11 -1.830 13.414 6.686 1.00 0.00 C ATOM 0 HA PRO A 11 -2.015 11.439 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.714 10.218 6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.056 10.689 6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.162 12.129 7.781 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.468 11.888 8.157 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.381 14.241 7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.770 13.652 6.777 1.00 0.00 H new ATOM 123 N ALA A 12 -4.846 12.191 5.551 1.00 0.00 N ATOM 124 CA ALA A 12 -6.290 12.050 5.411 1.00 0.00 C ATOM 125 C ALA A 12 -6.753 12.492 4.027 1.00 0.00 C ATOM 126 O ALA A 12 -7.784 12.036 3.531 1.00 0.00 O ATOM 127 CB ALA A 12 -7.005 12.851 6.489 1.00 0.00 C ATOM 0 H ALA A 12 -4.554 12.811 6.306 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.541 10.996 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.083 12.737 6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.706 12.487 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.740 13.904 6.396 1.00 0.00 H new ATOM 133 N LYS A 13 -5.987 13.383 3.408 1.00 0.00 N ATOM 134 CA LYS A 13 -6.317 13.887 2.080 1.00 0.00 C ATOM 135 C LYS A 13 -5.681 13.022 0.996 1.00 0.00 C ATOM 136 O LYS A 13 -6.174 12.962 -0.131 1.00 0.00 O ATOM 137 CB LYS A 13 -5.849 15.336 1.931 1.00 0.00 C ATOM 138 CG LYS A 13 -6.315 16.244 3.056 1.00 0.00 C ATOM 139 CD LYS A 13 -7.681 16.840 2.763 1.00 0.00 C ATOM 140 CE LYS A 13 -8.800 15.958 3.296 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.160 16.305 4.698 1.00 0.00 N ATOM 0 H LYS A 13 -5.132 13.772 3.805 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.400 13.848 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.760 15.355 1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.213 15.731 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.356 15.679 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.591 17.046 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.751 17.830 3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.799 16.970 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.679 16.062 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.493 14.913 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.926 15.682 5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.329 16.182 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.477 17.294 4.740 1.00 0.00 H new ATOM 155 N CYS A 14 -4.587 12.355 1.345 1.00 0.00 N ATOM 156 CA CYS A 14 -3.885 11.492 0.401 1.00 0.00 C ATOM 157 C CYS A 14 -4.790 10.364 -0.082 1.00 0.00 C ATOM 158 O CYS A 14 -5.783 10.030 0.565 1.00 0.00 O ATOM 159 CB CYS A 14 -2.626 10.912 1.048 1.00 0.00 C ATOM 160 SG CYS A 14 -1.262 12.090 1.195 1.00 0.00 S ATOM 0 H CYS A 14 -4.167 12.395 2.274 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.597 12.095 -0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.879 10.540 2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.291 10.056 0.462 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.590 13.032 2.028 1.00 0.00 H new ATOM 166 N VAL A 15 -4.440 9.779 -1.223 1.00 0.00 N ATOM 167 CA VAL A 15 -5.221 8.688 -1.794 1.00 0.00 C ATOM 168 C VAL A 15 -4.315 7.623 -2.401 1.00 0.00 C ATOM 169 O VAL A 15 -3.100 7.804 -2.493 1.00 0.00 O ATOM 170 CB VAL A 15 -6.192 9.198 -2.875 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.533 9.564 -2.259 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.591 10.386 -3.612 1.00 0.00 C ATOM 0 H VAL A 15 -3.621 10.042 -1.770 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.796 8.250 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.358 8.398 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.206 9.922 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.966 8.685 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.390 10.348 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.290 10.734 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.394 11.191 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.658 10.085 -4.088 1.00 0.00 H new ATOM 182 N LEU A 16 -4.913 6.511 -2.815 1.00 0.00 N ATOM 183 CA LEU A 16 -4.160 5.415 -3.415 1.00 0.00 C ATOM 184 C LEU A 16 -4.702 5.077 -4.800 1.00 0.00 C ATOM 185 O LEU A 16 -5.908 5.141 -5.038 1.00 0.00 O ATOM 186 CB LEU A 16 -4.218 4.178 -2.516 1.00 0.00 C ATOM 187 CG LEU A 16 -3.809 4.389 -1.058 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.522 3.394 -0.155 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.300 4.265 -0.904 1.00 0.00 C ATOM 0 H LEU A 16 -5.917 6.345 -2.746 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.123 5.733 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.235 3.787 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.574 3.411 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.103 5.395 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.219 3.559 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.600 3.530 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.259 2.379 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.027 4.418 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.982 3.271 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.808 5.017 -1.522 1.00 0.00 H new ATOM 201 N GLN A 17 -3.802 4.715 -5.709 1.00 0.00 N ATOM 202 CA GLN A 17 -4.191 4.365 -7.071 1.00 0.00 C ATOM 203 C GLN A 17 -4.006 2.872 -7.323 1.00 0.00 C ATOM 204 O GLN A 17 -3.063 2.260 -6.822 1.00 0.00 O ATOM 205 CB GLN A 17 -3.371 5.170 -8.080 1.00 0.00 C ATOM 206 CG GLN A 17 -3.853 6.602 -8.252 1.00 0.00 C ATOM 207 CD GLN A 17 -4.947 6.729 -9.294 1.00 0.00 C ATOM 208 OE1 GLN A 17 -5.930 5.988 -9.272 1.00 0.00 O ATOM 209 NE2 GLN A 17 -4.781 7.671 -10.215 1.00 0.00 N ATOM 0 H GLN A 17 -2.800 4.656 -5.528 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.246 4.608 -7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.329 5.182 -7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.403 4.666 -9.046 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.222 6.974 -7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.011 7.233 -8.536 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.951 8.263 -10.195 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.484 7.803 -10.942 1.00 0.00 H new ATOM 218 N GLY A 18 -4.913 2.292 -8.102 1.00 0.00 N ATOM 219 CA GLY A 18 -4.832 0.875 -8.407 1.00 0.00 C ATOM 220 C GLY A 18 -6.196 0.218 -8.475 1.00 0.00 C ATOM 221 O GLY A 18 -6.726 -0.233 -7.460 1.00 0.00 O ATOM 0 H GLY A 18 -5.703 2.778 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.319 0.740 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.230 0.377 -7.647 1.00 0.00 H new ATOM 225 N GLU A 19 -6.767 0.165 -9.674 1.00 0.00 N ATOM 226 CA GLU A 19 -8.079 -0.440 -9.869 1.00 0.00 C ATOM 227 C GLU A 19 -8.216 -1.719 -9.048 1.00 0.00 C ATOM 228 O GLU A 19 -9.258 -1.972 -8.442 1.00 0.00 O ATOM 229 CB GLU A 19 -8.310 -0.745 -11.350 1.00 0.00 C ATOM 230 CG GLU A 19 -9.768 -0.986 -11.702 1.00 0.00 C ATOM 231 CD GLU A 19 -10.493 0.288 -12.090 1.00 0.00 C ATOM 232 OE1 GLU A 19 -10.234 1.334 -11.460 1.00 0.00 O ATOM 233 OE2 GLU A 19 -11.320 0.239 -13.025 1.00 0.00 O ATOM 0 H GLU A 19 -6.342 0.534 -10.525 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.832 0.271 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.934 0.086 -11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.728 -1.624 -11.626 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.826 -1.698 -12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.273 -1.442 -10.850 1.00 0.00 H new ATOM 240 N ASP A 20 -7.158 -2.522 -9.033 1.00 0.00 N ATOM 241 CA ASP A 20 -7.158 -3.774 -8.286 1.00 0.00 C ATOM 242 C ASP A 20 -6.205 -3.698 -7.097 1.00 0.00 C ATOM 243 O ASP A 20 -5.132 -4.303 -7.109 1.00 0.00 O ATOM 244 CB ASP A 20 -6.765 -4.937 -9.198 1.00 0.00 C ATOM 245 CG ASP A 20 -5.692 -4.551 -10.197 1.00 0.00 C ATOM 246 OD1 ASP A 20 -5.978 -3.719 -11.083 1.00 0.00 O ATOM 247 OD2 ASP A 20 -4.566 -5.081 -10.094 1.00 0.00 O ATOM 0 H ASP A 20 -6.289 -2.328 -9.530 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.167 -3.943 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.409 -5.768 -8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.647 -5.289 -9.734 1.00 0.00 H new ATOM 252 N LEU A 21 -6.603 -2.953 -6.073 1.00 0.00 N ATOM 253 CA LEU A 21 -5.784 -2.797 -4.876 1.00 0.00 C ATOM 254 C LEU A 21 -6.170 -3.822 -3.814 1.00 0.00 C ATOM 255 O LEU A 21 -5.311 -4.370 -3.124 1.00 0.00 O ATOM 256 CB LEU A 21 -5.932 -1.382 -4.313 1.00 0.00 C ATOM 257 CG LEU A 21 -4.954 -0.339 -4.854 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.341 1.053 -4.378 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.531 -0.672 -4.431 1.00 0.00 C ATOM 0 H LEU A 21 -7.488 -2.447 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.743 -2.964 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.947 -1.037 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.819 -1.430 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.001 -0.355 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.634 1.782 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.344 1.292 -4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.323 1.083 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.849 0.081 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.468 -0.685 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.255 -1.651 -4.822 1.00 0.00 H new ATOM 271 N HIS A 22 -7.469 -4.077 -3.690 1.00 0.00 N ATOM 272 CA HIS A 22 -7.969 -5.039 -2.715 1.00 0.00 C ATOM 273 C HIS A 22 -8.003 -6.445 -3.306 1.00 0.00 C ATOM 274 O HIS A 22 -8.767 -7.299 -2.856 1.00 0.00 O ATOM 275 CB HIS A 22 -9.367 -4.637 -2.242 1.00 0.00 C ATOM 276 CG HIS A 22 -9.361 -3.568 -1.194 1.00 0.00 C ATOM 277 ND1 HIS A 22 -10.091 -3.653 -0.027 1.00 0.00 N ATOM 278 CD2 HIS A 22 -8.706 -2.384 -1.141 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.887 -2.567 0.697 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.050 -1.781 0.044 1.00 0.00 N ATOM 0 H HIS A 22 -8.194 -3.631 -4.252 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.291 -5.040 -1.862 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.946 -4.291 -3.098 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.875 -5.517 -1.848 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.038 -1.988 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.330 -2.357 1.660 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.714 -0.874 0.367 1.00 0.00 H new ATOM 289 N ARG A 23 -7.172 -6.677 -4.317 1.00 0.00 N ATOM 290 CA ARG A 23 -7.109 -7.978 -4.970 1.00 0.00 C ATOM 291 C ARG A 23 -5.681 -8.303 -5.398 1.00 0.00 C ATOM 292 O ARG A 23 -5.087 -7.591 -6.207 1.00 0.00 O ATOM 293 CB ARG A 23 -8.036 -8.007 -6.187 1.00 0.00 C ATOM 294 CG ARG A 23 -8.545 -9.397 -6.532 1.00 0.00 C ATOM 295 CD ARG A 23 -9.618 -9.855 -5.557 1.00 0.00 C ATOM 296 NE ARG A 23 -10.955 -9.452 -5.985 1.00 0.00 N ATOM 297 CZ ARG A 23 -11.584 -9.983 -7.027 1.00 0.00 C ATOM 298 NH1 ARG A 23 -11.001 -10.933 -7.744 1.00 0.00 N ATOM 299 NH2 ARG A 23 -12.800 -9.563 -7.355 1.00 0.00 N ATOM 0 H ARG A 23 -6.533 -5.981 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.436 -8.732 -4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.888 -7.353 -6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.505 -7.600 -7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.948 -9.397 -7.545 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.715 -10.103 -6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.580 -10.940 -5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.413 -9.439 -4.571 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.432 -8.723 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.067 -11.258 -7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.487 -11.339 -8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.252 -8.832 -6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.282 -9.972 -8.156 1.00 0.00 H new ATOM 313 N ALA A 24 -5.135 -9.383 -4.847 1.00 0.00 N ATOM 314 CA ALA A 24 -3.778 -9.803 -5.172 1.00 0.00 C ATOM 315 C ALA A 24 -3.725 -11.294 -5.487 1.00 0.00 C ATOM 316 O ALA A 24 -4.667 -12.033 -5.199 1.00 0.00 O ATOM 317 CB ALA A 24 -2.834 -9.470 -4.026 1.00 0.00 C ATOM 0 H ALA A 24 -5.612 -9.982 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.459 -9.259 -6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.824 -9.789 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.841 -8.394 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.160 -9.988 -3.124 1.00 0.00 H new ATOM 323 N ARG A 25 -2.619 -11.730 -6.080 1.00 0.00 N ATOM 324 CA ARG A 25 -2.445 -13.133 -6.436 1.00 0.00 C ATOM 325 C ARG A 25 -1.195 -13.710 -5.778 1.00 0.00 C ATOM 326 O ARG A 25 -0.205 -13.006 -5.580 1.00 0.00 O ATOM 327 CB ARG A 25 -2.352 -13.289 -7.955 1.00 0.00 C ATOM 328 CG ARG A 25 -2.877 -14.622 -8.464 1.00 0.00 C ATOM 329 CD ARG A 25 -2.382 -14.914 -9.871 1.00 0.00 C ATOM 330 NE ARG A 25 -3.104 -16.025 -10.486 1.00 0.00 N ATOM 331 CZ ARG A 25 -2.978 -16.367 -11.763 1.00 0.00 C ATOM 332 NH1 ARG A 25 -2.162 -15.687 -12.557 1.00 0.00 N ATOM 333 NH2 ARG A 25 -3.670 -17.390 -12.249 1.00 0.00 N ATOM 0 H ARG A 25 -1.830 -11.132 -6.324 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.313 -13.683 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.911 -12.483 -8.429 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.312 -13.178 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.560 -15.420 -7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.967 -14.613 -8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.496 -14.022 -10.488 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.318 -15.146 -9.840 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.740 -16.568 -9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.630 -14.900 -12.187 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.067 -15.952 -13.537 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.299 -17.914 -11.641 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.572 -17.652 -13.230 1.00 0.00 H new ATOM 347 N GLU A 26 -1.249 -14.995 -5.440 1.00 0.00 N ATOM 348 CA GLU A 26 -0.121 -15.665 -4.803 1.00 0.00 C ATOM 349 C GLU A 26 1.174 -15.393 -5.564 1.00 0.00 C ATOM 350 O GLU A 26 1.174 -15.272 -6.789 1.00 0.00 O ATOM 351 CB GLU A 26 -0.373 -17.172 -4.724 1.00 0.00 C ATOM 352 CG GLU A 26 0.861 -17.976 -4.352 1.00 0.00 C ATOM 353 CD GLU A 26 1.137 -17.966 -2.861 1.00 0.00 C ATOM 354 OE1 GLU A 26 0.847 -16.939 -2.212 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.641 -18.983 -2.343 1.00 0.00 O ATOM 0 H GLU A 26 -2.061 -15.592 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.018 -15.268 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.156 -17.363 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.747 -17.520 -5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.734 -19.005 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.725 -17.573 -4.880 1.00 0.00 H new ATOM 362 N LYS A 27 2.276 -15.299 -4.829 1.00 0.00 N ATOM 363 CA LYS A 27 3.579 -15.043 -5.432 1.00 0.00 C ATOM 364 C LYS A 27 3.444 -14.147 -6.659 1.00 0.00 C ATOM 365 O LYS A 27 3.897 -14.499 -7.748 1.00 0.00 O ATOM 366 CB LYS A 27 4.252 -16.361 -5.821 1.00 0.00 C ATOM 367 CG LYS A 27 4.891 -17.087 -4.649 1.00 0.00 C ATOM 368 CD LYS A 27 6.352 -16.704 -4.486 1.00 0.00 C ATOM 369 CE LYS A 27 6.514 -15.210 -4.249 1.00 0.00 C ATOM 370 NZ LYS A 27 7.879 -14.870 -3.761 1.00 0.00 N ATOM 0 H LYS A 27 2.293 -15.396 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 27 4.198 -14.530 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.512 -17.015 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.015 -16.161 -6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.348 -16.851 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.811 -18.164 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.782 -17.255 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.907 -16.994 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.315 -14.672 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.775 -14.876 -3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.949 -13.843 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.060 -15.363 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.584 -15.166 -4.466 1.00 0.00 H new ATOM 384 N GLN A 28 2.819 -12.988 -6.475 1.00 0.00 N ATOM 385 CA GLN A 28 2.626 -12.043 -7.568 1.00 0.00 C ATOM 386 C GLN A 28 3.136 -10.658 -7.186 1.00 0.00 C ATOM 387 O GLN A 28 3.176 -10.301 -6.007 1.00 0.00 O ATOM 388 CB GLN A 28 1.146 -11.967 -7.949 1.00 0.00 C ATOM 389 CG GLN A 28 0.868 -11.051 -9.130 1.00 0.00 C ATOM 390 CD GLN A 28 0.580 -9.624 -8.706 1.00 0.00 C ATOM 391 OE1 GLN A 28 0.538 -9.314 -7.515 1.00 0.00 O ATOM 392 NE2 GLN A 28 0.381 -8.746 -9.682 1.00 0.00 N ATOM 0 H GLN A 28 2.438 -12.681 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 28 3.197 -12.397 -8.426 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.788 -12.969 -8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.575 -11.619 -7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.726 -11.060 -9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.018 -11.437 -9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.425 -9.047 -10.656 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.184 -7.771 -9.458 1.00 0.00 H new ATOM 401 N THR A 29 3.528 -9.879 -8.190 1.00 0.00 N ATOM 402 CA THR A 29 4.037 -8.533 -7.959 1.00 0.00 C ATOM 403 C THR A 29 2.921 -7.499 -8.051 1.00 0.00 C ATOM 404 O THR A 29 2.466 -7.159 -9.143 1.00 0.00 O ATOM 405 CB THR A 29 5.142 -8.170 -8.969 1.00 0.00 C ATOM 406 OG1 THR A 29 6.117 -9.218 -9.026 1.00 0.00 O ATOM 407 CG2 THR A 29 5.818 -6.862 -8.586 1.00 0.00 C ATOM 0 H THR A 29 3.503 -10.158 -9.171 1.00 0.00 H new ATOM 0 HA THR A 29 4.456 -8.522 -6.953 1.00 0.00 H new ATOM 0 HB THR A 29 4.681 -8.049 -9.949 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.815 -8.981 -9.671 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.594 -6.627 -9.314 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.079 -6.061 -8.572 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.266 -6.960 -7.597 1.00 0.00 H new ATOM 415 N ALA A 30 2.485 -7.002 -6.898 1.00 0.00 N ATOM 416 CA ALA A 30 1.424 -6.004 -6.850 1.00 0.00 C ATOM 417 C ALA A 30 1.960 -4.654 -6.386 1.00 0.00 C ATOM 418 O ALA A 30 2.493 -4.532 -5.283 1.00 0.00 O ATOM 419 CB ALA A 30 0.302 -6.471 -5.934 1.00 0.00 C ATOM 0 H ALA A 30 2.850 -7.274 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 30 1.029 -5.881 -7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.484 -5.716 -5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.108 -7.409 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.693 -6.623 -4.928 1.00 0.00 H new ATOM 425 N SER A 31 1.817 -3.642 -7.236 1.00 0.00 N ATOM 426 CA SER A 31 2.292 -2.301 -6.916 1.00 0.00 C ATOM 427 C SER A 31 1.218 -1.259 -7.213 1.00 0.00 C ATOM 428 O SER A 31 0.318 -1.491 -8.021 1.00 0.00 O ATOM 429 CB SER A 31 3.561 -1.983 -7.709 1.00 0.00 C ATOM 430 OG SER A 31 3.310 -2.008 -9.103 1.00 0.00 O ATOM 0 H SER A 31 1.376 -3.725 -8.152 1.00 0.00 H new ATOM 0 HA SER A 31 2.521 -2.268 -5.851 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.937 -1.001 -7.421 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.338 -2.706 -7.463 1.00 0.00 H new ATOM 0 HG SER A 31 4.136 -1.800 -9.588 1.00 0.00 H new ATOM 436 N PHE A 32 1.320 -0.109 -6.554 1.00 0.00 N ATOM 437 CA PHE A 32 0.357 0.970 -6.746 1.00 0.00 C ATOM 438 C PHE A 32 1.037 2.331 -6.634 1.00 0.00 C ATOM 439 O PHE A 32 2.180 2.433 -6.187 1.00 0.00 O ATOM 440 CB PHE A 32 -0.771 0.864 -5.718 1.00 0.00 C ATOM 441 CG PHE A 32 -0.299 0.468 -4.348 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.041 -0.846 -4.071 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.195 1.411 -3.338 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.476 -1.213 -2.811 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.240 1.050 -2.077 1.00 0.00 C ATOM 446 CZ PHE A 32 0.575 -0.264 -1.813 1.00 0.00 C ATOM 0 H PHE A 32 2.059 0.100 -5.883 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.064 0.875 -7.747 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.284 1.824 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.502 0.134 -6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.035 -1.592 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.457 2.439 -3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.738 -2.241 -2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.318 1.794 -1.299 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.914 -0.548 -0.828 1.00 0.00 H new ATOM 456 N THR A 33 0.326 3.377 -7.045 1.00 0.00 N ATOM 457 CA THR A 33 0.859 4.732 -6.992 1.00 0.00 C ATOM 458 C THR A 33 0.223 5.530 -5.860 1.00 0.00 C ATOM 459 O THR A 33 -0.999 5.672 -5.797 1.00 0.00 O ATOM 460 CB THR A 33 0.631 5.477 -8.321 1.00 0.00 C ATOM 461 OG1 THR A 33 1.498 4.951 -9.333 1.00 0.00 O ATOM 462 CG2 THR A 33 0.882 6.968 -8.156 1.00 0.00 C ATOM 0 H THR A 33 -0.621 3.311 -7.418 1.00 0.00 H new ATOM 0 HA THR A 33 1.930 4.643 -6.812 1.00 0.00 H new ATOM 0 HB THR A 33 -0.407 5.331 -8.620 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.346 5.429 -10.175 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.715 7.473 -9.108 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.200 7.371 -7.407 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.911 7.130 -7.835 1.00 0.00 H new ATOM 470 N LEU A 34 1.058 6.050 -4.968 1.00 0.00 N ATOM 471 CA LEU A 34 0.577 6.836 -3.837 1.00 0.00 C ATOM 472 C LEU A 34 0.654 8.329 -4.139 1.00 0.00 C ATOM 473 O LEU A 34 1.726 8.861 -4.431 1.00 0.00 O ATOM 474 CB LEU A 34 1.394 6.516 -2.584 1.00 0.00 C ATOM 475 CG LEU A 34 1.218 7.473 -1.405 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.157 7.302 -0.778 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.310 7.250 -0.368 1.00 0.00 C ATOM 0 H LEU A 34 2.072 5.942 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.466 6.573 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.134 5.511 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.449 6.498 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 34 1.301 8.494 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.263 7.992 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.925 7.513 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.269 6.278 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.168 7.940 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.260 6.225 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.285 7.425 -0.823 1.00 0.00 H new ATOM 489 N LEU A 35 -0.490 9.001 -4.066 1.00 0.00 N ATOM 490 CA LEU A 35 -0.553 10.435 -4.329 1.00 0.00 C ATOM 491 C LEU A 35 -0.417 11.233 -3.037 1.00 0.00 C ATOM 492 O LEU A 35 -0.744 10.742 -1.955 1.00 0.00 O ATOM 493 CB LEU A 35 -1.870 10.788 -5.024 1.00 0.00 C ATOM 494 CG LEU A 35 -2.226 9.951 -6.253 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.726 9.979 -6.502 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.471 10.452 -7.476 1.00 0.00 C ATOM 0 H LEU A 35 -1.386 8.576 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 35 0.278 10.696 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.678 10.693 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.831 11.836 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.929 8.919 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.960 9.378 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.246 9.572 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.048 11.007 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.736 9.845 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.737 11.492 -7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.398 10.379 -7.297 1.00 0.00 H new ATOM 508 N CYS A 36 0.066 12.464 -3.156 1.00 0.00 N ATOM 509 CA CYS A 36 0.244 13.331 -1.997 1.00 0.00 C ATOM 510 C CYS A 36 -0.487 14.656 -2.191 1.00 0.00 C ATOM 511 O CYS A 36 -0.150 15.439 -3.080 1.00 0.00 O ATOM 512 CB CYS A 36 1.731 13.587 -1.749 1.00 0.00 C ATOM 513 SG CYS A 36 2.662 12.116 -1.261 1.00 0.00 S ATOM 0 H CYS A 36 0.342 12.885 -4.043 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.180 12.827 -1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.174 14.000 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.834 14.343 -0.971 1.00 0.00 H new ATOM 0 HG CYS A 36 3.574 12.447 -0.396 1.00 0.00 H new ATOM 519 N LYS A 37 -1.490 14.901 -1.356 1.00 0.00 N ATOM 520 CA LYS A 37 -2.270 16.130 -1.434 1.00 0.00 C ATOM 521 C LYS A 37 -2.097 16.966 -0.171 1.00 0.00 C ATOM 522 O LYS A 37 -1.608 16.476 0.847 1.00 0.00 O ATOM 523 CB LYS A 37 -3.751 15.806 -1.645 1.00 0.00 C ATOM 524 CG LYS A 37 -4.095 15.438 -3.078 1.00 0.00 C ATOM 525 CD LYS A 37 -3.798 13.975 -3.365 1.00 0.00 C ATOM 526 CE LYS A 37 -3.892 13.668 -4.851 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.227 14.026 -5.408 1.00 0.00 N ATOM 0 H LYS A 37 -1.783 14.263 -0.616 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.906 16.708 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.031 14.981 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.349 16.667 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.150 15.639 -3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.526 16.067 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.800 13.728 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.500 13.346 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.116 14.217 -5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.702 12.607 -5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.319 13.635 -6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.974 13.632 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.321 15.061 -5.445 1.00 0.00 H new ATOM 541 N ASP A 38 -2.501 18.230 -0.243 1.00 0.00 N ATOM 542 CA ASP A 38 -2.393 19.133 0.896 1.00 0.00 C ATOM 543 C ASP A 38 -3.631 19.041 1.783 1.00 0.00 C ATOM 544 O ASP A 38 -4.553 18.278 1.500 1.00 0.00 O ATOM 545 CB ASP A 38 -2.200 20.573 0.416 1.00 0.00 C ATOM 546 CG ASP A 38 -1.270 20.665 -0.778 1.00 0.00 C ATOM 547 OD1 ASP A 38 -1.664 20.211 -1.872 1.00 0.00 O ATOM 548 OD2 ASP A 38 -0.149 21.191 -0.617 1.00 0.00 O ATOM 0 H ASP A 38 -2.906 18.652 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.525 18.834 1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.168 20.998 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.800 21.174 1.232 1.00 0.00 H new ATOM 553 N ALA A 39 -3.643 19.824 2.857 1.00 0.00 N ATOM 554 CA ALA A 39 -4.768 19.831 3.784 1.00 0.00 C ATOM 555 C ALA A 39 -6.051 20.271 3.087 1.00 0.00 C ATOM 556 O ALA A 39 -7.144 20.135 3.636 1.00 0.00 O ATOM 557 CB ALA A 39 -4.470 20.739 4.968 1.00 0.00 C ATOM 0 H ALA A 39 -2.887 20.461 3.106 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.914 18.814 4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.318 20.735 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.582 20.379 5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.295 21.755 4.613 1.00 0.00 H new ATOM 563 N ALA A 40 -5.909 20.800 1.876 1.00 0.00 N ATOM 564 CA ALA A 40 -7.057 21.259 1.104 1.00 0.00 C ATOM 565 C ALA A 40 -7.450 20.237 0.043 1.00 0.00 C ATOM 566 O ALA A 40 -8.270 20.517 -0.829 1.00 0.00 O ATOM 567 CB ALA A 40 -6.756 22.604 0.459 1.00 0.00 C ATOM 0 H ALA A 40 -5.011 20.921 1.409 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.899 21.376 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.622 22.935 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.532 23.337 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.897 22.505 -0.205 1.00 0.00 H new ATOM 573 N GLY A 41 -6.858 19.049 0.125 1.00 0.00 N ATOM 574 CA GLY A 41 -7.158 18.003 -0.835 1.00 0.00 C ATOM 575 C GLY A 41 -6.743 18.374 -2.245 1.00 0.00 C ATOM 576 O GLY A 41 -7.298 17.861 -3.217 1.00 0.00 O ATOM 0 H GLY A 41 -6.176 18.793 0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.649 17.086 -0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.228 17.794 -0.817 1.00 0.00 H new ATOM 580 N GLU A 42 -5.767 19.269 -2.358 1.00 0.00 N ATOM 581 CA GLU A 42 -5.281 19.710 -3.660 1.00 0.00 C ATOM 582 C GLU A 42 -3.896 19.137 -3.946 1.00 0.00 C ATOM 583 O GLU A 42 -3.176 18.740 -3.030 1.00 0.00 O ATOM 584 CB GLU A 42 -5.236 21.238 -3.722 1.00 0.00 C ATOM 585 CG GLU A 42 -4.165 21.852 -2.837 1.00 0.00 C ATOM 586 CD GLU A 42 -4.445 23.305 -2.504 1.00 0.00 C ATOM 587 OE1 GLU A 42 -4.823 24.061 -3.424 1.00 0.00 O ATOM 588 OE2 GLU A 42 -4.286 23.686 -1.326 1.00 0.00 O ATOM 0 H GLU A 42 -5.297 19.703 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.971 19.343 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.064 21.546 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.208 21.634 -3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.091 21.279 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.199 21.777 -3.337 1.00 0.00 H new ATOM 595 N ILE A 43 -3.531 19.098 -5.223 1.00 0.00 N ATOM 596 CA ILE A 43 -2.233 18.575 -5.630 1.00 0.00 C ATOM 597 C ILE A 43 -1.108 19.527 -5.236 1.00 0.00 C ATOM 598 O ILE A 43 -1.222 20.741 -5.403 1.00 0.00 O ATOM 599 CB ILE A 43 -2.175 18.332 -7.150 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.421 17.575 -7.615 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.914 17.564 -7.516 1.00 0.00 C ATOM 602 CD1 ILE A 43 -3.474 16.143 -7.131 1.00 0.00 C ATOM 0 H ILE A 43 -4.116 19.422 -5.993 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.100 17.625 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.149 19.297 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.308 18.102 -7.264 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.456 17.583 -8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.888 17.400 -8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.038 18.138 -7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.912 16.602 -7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.384 15.668 -7.498 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.605 15.600 -7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.471 16.127 -6.041 1.00 0.00 H new ATOM 614 N MET A 44 -0.022 18.967 -4.714 1.00 0.00 N ATOM 615 CA MET A 44 1.125 19.766 -4.298 1.00 0.00 C ATOM 616 C MET A 44 2.319 19.519 -5.214 1.00 0.00 C ATOM 617 O MET A 44 3.102 20.428 -5.488 1.00 0.00 O ATOM 618 CB MET A 44 1.501 19.443 -2.851 1.00 0.00 C ATOM 619 CG MET A 44 1.958 18.008 -2.648 1.00 0.00 C ATOM 620 SD MET A 44 2.956 17.800 -1.161 1.00 0.00 S ATOM 621 CE MET A 44 1.744 18.146 0.112 1.00 0.00 C ATOM 0 H MET A 44 0.088 17.963 -4.569 1.00 0.00 H new ATOM 0 HA MET A 44 0.848 20.818 -4.367 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.296 20.117 -2.531 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.642 19.636 -2.209 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.085 17.358 -2.589 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.535 17.688 -3.516 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.251 18.303 1.064 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.184 19.043 -0.153 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.059 17.303 0.201 1.00 0.00 H new ATOM 631 N GLY A 45 2.453 18.283 -5.685 1.00 0.00 N ATOM 632 CA GLY A 45 3.555 17.939 -6.564 1.00 0.00 C ATOM 633 C GLY A 45 4.904 18.081 -5.886 1.00 0.00 C ATOM 634 O GLY A 45 5.777 18.800 -6.372 1.00 0.00 O ATOM 0 H GLY A 45 1.818 17.514 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.432 16.913 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.526 18.579 -7.446 1.00 0.00 H new ATOM 638 N ARG A 46 5.074 17.394 -4.761 1.00 0.00 N ATOM 639 CA ARG A 46 6.324 17.450 -4.014 1.00 0.00 C ATOM 640 C ARG A 46 6.721 16.063 -3.515 1.00 0.00 C ATOM 641 O ARG A 46 5.955 15.107 -3.632 1.00 0.00 O ATOM 642 CB ARG A 46 6.195 18.411 -2.831 1.00 0.00 C ATOM 643 CG ARG A 46 6.099 19.871 -3.241 1.00 0.00 C ATOM 644 CD ARG A 46 5.449 20.714 -2.154 1.00 0.00 C ATOM 645 NE ARG A 46 5.236 22.093 -2.585 1.00 0.00 N ATOM 646 CZ ARG A 46 5.019 23.099 -1.746 1.00 0.00 C ATOM 647 NH1 ARG A 46 4.988 22.882 -0.439 1.00 0.00 N ATOM 648 NH2 ARG A 46 4.833 24.327 -2.215 1.00 0.00 N ATOM 0 H ARG A 46 4.362 16.792 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 46 7.102 17.814 -4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.310 18.146 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.055 18.283 -2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.096 20.256 -3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.521 19.954 -4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.494 20.270 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.078 20.705 -1.264 1.00 0.00 H new ATOM 0 HE ARG A 46 5.255 22.294 -3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.131 21.940 -0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.821 23.657 0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.857 24.498 -3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.666 25.099 -1.570 1.00 0.00 H new ATOM 662 N GLY A 47 7.925 15.962 -2.959 1.00 0.00 N ATOM 663 CA GLY A 47 8.403 14.689 -2.452 1.00 0.00 C ATOM 664 C GLY A 47 9.041 14.813 -1.082 1.00 0.00 C ATOM 665 O GLY A 47 10.147 14.325 -0.859 1.00 0.00 O ATOM 0 H GLY A 47 8.577 16.739 -2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.571 13.987 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.128 14.272 -3.151 1.00 0.00 H new ATOM 669 N GLY A 48 8.341 15.471 -0.162 1.00 0.00 N ATOM 670 CA GLY A 48 8.862 15.648 1.180 1.00 0.00 C ATOM 671 C GLY A 48 7.978 15.013 2.235 1.00 0.00 C ATOM 672 O GLY A 48 7.583 15.667 3.200 1.00 0.00 O ATOM 0 H GLY A 48 7.422 15.884 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.860 15.215 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.964 16.713 1.389 1.00 0.00 H new ATOM 676 N ASP A 49 7.664 13.735 2.050 1.00 0.00 N ATOM 677 CA ASP A 49 6.819 13.012 2.993 1.00 0.00 C ATOM 678 C ASP A 49 7.448 11.675 3.371 1.00 0.00 C ATOM 679 O ASP A 49 8.299 11.153 2.652 1.00 0.00 O ATOM 680 CB ASP A 49 5.430 12.784 2.395 1.00 0.00 C ATOM 681 CG ASP A 49 4.947 13.970 1.583 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.423 15.096 1.838 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.093 13.773 0.693 1.00 0.00 O ATOM 0 H ASP A 49 7.982 13.179 1.256 1.00 0.00 H new ATOM 0 HA ASP A 49 6.723 13.617 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.452 11.898 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.720 12.584 3.198 1.00 0.00 H new ATOM 688 N ASN A 50 7.025 11.127 4.506 1.00 0.00 N ATOM 689 CA ASN A 50 7.549 9.852 4.981 1.00 0.00 C ATOM 690 C ASN A 50 6.529 8.735 4.779 1.00 0.00 C ATOM 691 O ASN A 50 5.587 8.592 5.558 1.00 0.00 O ATOM 692 CB ASN A 50 7.926 9.951 6.460 1.00 0.00 C ATOM 693 CG ASN A 50 9.286 10.590 6.669 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.041 10.792 5.718 1.00 0.00 O ATOM 695 ND2 ASN A 50 9.603 10.911 7.917 1.00 0.00 N ATOM 0 H ASN A 50 6.321 11.546 5.113 1.00 0.00 H new ATOM 0 HA ASN A 50 8.441 9.615 4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.170 10.533 6.987 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.925 8.954 6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.504 11.344 8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.945 10.725 8.674 1.00 0.00 H new ATOM 702 N VAL A 51 6.724 7.946 3.727 1.00 0.00 N ATOM 703 CA VAL A 51 5.823 6.841 3.423 1.00 0.00 C ATOM 704 C VAL A 51 6.172 5.605 4.243 1.00 0.00 C ATOM 705 O VAL A 51 7.345 5.321 4.486 1.00 0.00 O ATOM 706 CB VAL A 51 5.864 6.479 1.926 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.931 5.314 1.633 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.504 7.688 1.076 1.00 0.00 C ATOM 0 H VAL A 51 7.498 8.052 3.071 1.00 0.00 H new ATOM 0 HA VAL A 51 4.817 7.173 3.682 1.00 0.00 H new ATOM 0 HB VAL A 51 6.879 6.174 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.973 5.072 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.239 4.446 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.911 5.588 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.538 7.414 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.500 8.026 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.216 8.491 1.266 1.00 0.00 H new ATOM 718 N GLN A 52 5.147 4.873 4.667 1.00 0.00 N ATOM 719 CA GLN A 52 5.346 3.666 5.461 1.00 0.00 C ATOM 720 C GLN A 52 4.501 2.516 4.925 1.00 0.00 C ATOM 721 O GLN A 52 3.284 2.640 4.782 1.00 0.00 O ATOM 722 CB GLN A 52 4.998 3.931 6.926 1.00 0.00 C ATOM 723 CG GLN A 52 6.022 4.790 7.650 1.00 0.00 C ATOM 724 CD GLN A 52 5.506 5.327 8.970 1.00 0.00 C ATOM 725 OE1 GLN A 52 4.806 6.339 9.010 1.00 0.00 O ATOM 726 NE2 GLN A 52 5.849 4.651 10.060 1.00 0.00 N ATOM 0 H GLN A 52 4.170 5.095 4.474 1.00 0.00 H new ATOM 0 HA GLN A 52 6.396 3.384 5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.025 4.420 6.977 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.903 2.978 7.446 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.922 4.202 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.308 5.624 7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.431 3.817 9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.531 4.966 10.977 1.00 0.00 H new ATOM 735 N VAL A 53 5.153 1.396 4.628 1.00 0.00 N ATOM 736 CA VAL A 53 4.461 0.223 4.108 1.00 0.00 C ATOM 737 C VAL A 53 4.799 -1.020 4.923 1.00 0.00 C ATOM 738 O VAL A 53 5.967 -1.302 5.189 1.00 0.00 O ATOM 739 CB VAL A 53 4.820 -0.031 2.632 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.112 -1.275 2.117 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.470 1.181 1.782 1.00 0.00 C ATOM 0 H VAL A 53 6.160 1.277 4.739 1.00 0.00 H new ATOM 0 HA VAL A 53 3.393 0.425 4.185 1.00 0.00 H new ATOM 0 HB VAL A 53 5.895 -0.198 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.378 -1.439 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.417 -2.138 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.034 -1.141 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.731 0.984 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.401 1.381 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.027 2.048 2.137 1.00 0.00 H new ATOM 751 N ALA A 54 3.768 -1.760 5.317 1.00 0.00 N ATOM 752 CA ALA A 54 3.955 -2.976 6.100 1.00 0.00 C ATOM 753 C ALA A 54 2.775 -3.926 5.929 1.00 0.00 C ATOM 754 O ALA A 54 1.680 -3.669 6.430 1.00 0.00 O ATOM 755 CB ALA A 54 4.150 -2.632 7.570 1.00 0.00 C ATOM 0 H ALA A 54 2.795 -1.539 5.107 1.00 0.00 H new ATOM 0 HA ALA A 54 4.849 -3.480 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.288 -3.549 8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.030 -1.998 7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.272 -2.102 7.939 1.00 0.00 H new ATOM 761 N VAL A 55 3.005 -5.025 5.218 1.00 0.00 N ATOM 762 CA VAL A 55 1.961 -6.015 4.981 1.00 0.00 C ATOM 763 C VAL A 55 2.046 -7.156 5.988 1.00 0.00 C ATOM 764 O VAL A 55 3.102 -7.763 6.167 1.00 0.00 O ATOM 765 CB VAL A 55 2.050 -6.594 3.556 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.075 -7.750 3.388 1.00 0.00 C ATOM 767 CG2 VAL A 55 1.787 -5.510 2.523 1.00 0.00 C ATOM 0 H VAL A 55 3.905 -5.252 4.796 1.00 0.00 H new ATOM 0 HA VAL A 55 1.006 -5.502 5.098 1.00 0.00 H new ATOM 0 HB VAL A 55 3.059 -6.975 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.152 -8.146 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.315 -8.536 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.059 -7.397 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.854 -5.937 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.790 -5.097 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.528 -4.718 2.630 1.00 0.00 H new ATOM 777 N VAL A 56 0.927 -7.444 6.644 1.00 0.00 N ATOM 778 CA VAL A 56 0.874 -8.514 7.633 1.00 0.00 C ATOM 779 C VAL A 56 -0.344 -9.404 7.415 1.00 0.00 C ATOM 780 O VAL A 56 -1.489 -8.950 7.439 1.00 0.00 O ATOM 781 CB VAL A 56 0.835 -7.952 9.067 1.00 0.00 C ATOM 782 CG1 VAL A 56 0.873 -9.082 10.085 1.00 0.00 C ATOM 783 CG2 VAL A 56 1.986 -6.983 9.290 1.00 0.00 C ATOM 0 H VAL A 56 0.044 -6.951 6.508 1.00 0.00 H new ATOM 0 HA VAL A 56 1.780 -9.106 7.507 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.100 -7.407 9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.845 -8.666 11.092 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.012 -9.734 9.937 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.790 -9.657 9.956 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.943 -6.595 10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.933 -7.502 9.139 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.908 -6.157 8.584 1.00 0.00 H new ATOM 793 N PRO A 57 -0.096 -10.704 7.197 1.00 0.00 N ATOM 794 CA PRO A 57 -1.160 -11.687 6.971 1.00 0.00 C ATOM 795 C PRO A 57 -1.979 -11.954 8.229 1.00 0.00 C ATOM 796 O PRO A 57 -1.429 -12.096 9.322 1.00 0.00 O ATOM 797 CB PRO A 57 -0.397 -12.946 6.552 1.00 0.00 C ATOM 798 CG PRO A 57 0.954 -12.791 7.160 1.00 0.00 C ATOM 799 CD PRO A 57 1.243 -11.315 7.154 1.00 0.00 C ATOM 0 HA PRO A 57 -1.882 -11.343 6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.892 -13.847 6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.336 -13.029 5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.973 -13.188 8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.704 -13.338 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.847 -11.020 8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.792 -11.017 6.261 1.00 0.00 H new ATOM 807 N LYS A 58 -3.296 -12.022 8.069 1.00 0.00 N ATOM 808 CA LYS A 58 -4.192 -12.274 9.192 1.00 0.00 C ATOM 809 C LYS A 58 -3.988 -13.681 9.745 1.00 0.00 C ATOM 810 O LYS A 58 -4.197 -13.927 10.933 1.00 0.00 O ATOM 811 CB LYS A 58 -5.649 -12.090 8.760 1.00 0.00 C ATOM 812 CG LYS A 58 -6.647 -12.286 9.888 1.00 0.00 C ATOM 813 CD LYS A 58 -8.078 -12.261 9.376 1.00 0.00 C ATOM 814 CE LYS A 58 -8.471 -13.592 8.756 1.00 0.00 C ATOM 815 NZ LYS A 58 -9.035 -14.530 9.766 1.00 0.00 N ATOM 0 H LYS A 58 -3.767 -11.906 7.172 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.960 -11.556 9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.773 -11.089 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.874 -12.796 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.454 -13.237 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.513 -11.503 10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.755 -12.027 10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.187 -11.468 8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.205 -13.423 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.598 -14.046 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.290 -15.426 9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.326 -14.712 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.883 -14.108 10.196 1.00 0.00 H new ATOM 829 N ASP A 59 -3.579 -14.599 8.877 1.00 0.00 N ATOM 830 CA ASP A 59 -3.345 -15.981 9.280 1.00 0.00 C ATOM 831 C ASP A 59 -2.215 -16.065 10.301 1.00 0.00 C ATOM 832 O ASP A 59 -2.397 -16.579 11.405 1.00 0.00 O ATOM 833 CB ASP A 59 -3.012 -16.841 8.060 1.00 0.00 C ATOM 834 CG ASP A 59 -2.556 -18.236 8.441 1.00 0.00 C ATOM 835 OD1 ASP A 59 -3.101 -18.791 9.417 1.00 0.00 O ATOM 836 OD2 ASP A 59 -1.653 -18.771 7.764 1.00 0.00 O ATOM 0 H ASP A 59 -3.403 -14.412 7.890 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.257 -16.358 9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.890 -16.912 7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.230 -16.353 7.478 1.00 0.00 H new ATOM 841 N LYS A 60 -1.045 -15.559 9.925 1.00 0.00 N ATOM 842 CA LYS A 60 0.116 -15.576 10.806 1.00 0.00 C ATOM 843 C LYS A 60 0.262 -14.246 11.539 1.00 0.00 C ATOM 844 O LYS A 60 -0.361 -13.250 11.170 1.00 0.00 O ATOM 845 CB LYS A 60 1.386 -15.871 10.005 1.00 0.00 C ATOM 846 CG LYS A 60 1.351 -17.206 9.281 1.00 0.00 C ATOM 847 CD LYS A 60 1.824 -18.339 10.178 1.00 0.00 C ATOM 848 CE LYS A 60 1.571 -19.697 9.540 1.00 0.00 C ATOM 849 NZ LYS A 60 1.573 -20.792 10.549 1.00 0.00 N ATOM 0 H LYS A 60 -0.876 -15.132 9.014 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.031 -16.364 11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.539 -15.075 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.243 -15.855 10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.336 -17.410 8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.981 -17.156 8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.889 -18.224 10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.309 -18.285 11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.612 -19.682 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.336 -19.894 8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.397 -21.701 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.497 -20.823 11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.826 -20.618 11.252 1.00 0.00 H new ATOM 863 N LYS A 61 1.091 -14.235 12.577 1.00 0.00 N ATOM 864 CA LYS A 61 1.323 -13.027 13.360 1.00 0.00 C ATOM 865 C LYS A 61 2.729 -12.486 13.122 1.00 0.00 C ATOM 866 O LYS A 61 2.939 -11.273 13.085 1.00 0.00 O ATOM 867 CB LYS A 61 1.120 -13.314 14.849 1.00 0.00 C ATOM 868 CG LYS A 61 -0.277 -13.802 15.190 1.00 0.00 C ATOM 869 CD LYS A 61 -1.223 -12.642 15.458 1.00 0.00 C ATOM 870 CE LYS A 61 -0.985 -12.036 16.833 1.00 0.00 C ATOM 871 NZ LYS A 61 -1.974 -10.968 17.146 1.00 0.00 N ATOM 0 H LYS A 61 1.614 -15.050 12.896 1.00 0.00 H new ATOM 0 HA LYS A 61 0.604 -12.273 13.040 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.845 -14.063 15.168 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.327 -12.407 15.417 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.663 -14.405 14.369 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.234 -14.448 16.067 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.088 -11.877 14.694 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.254 -12.987 15.385 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.043 -12.818 17.590 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.023 -11.623 16.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.779 -10.580 18.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.901 -10.209 16.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.934 -11.368 17.128 1.00 0.00 H new ATOM 885 N ASP A 62 3.687 -13.392 12.961 1.00 0.00 N ATOM 886 CA ASP A 62 5.073 -13.005 12.724 1.00 0.00 C ATOM 887 C ASP A 62 5.393 -13.016 11.232 1.00 0.00 C ATOM 888 O ASP A 62 5.854 -12.017 10.679 1.00 0.00 O ATOM 889 CB ASP A 62 6.022 -13.945 13.469 1.00 0.00 C ATOM 890 CG ASP A 62 7.393 -13.334 13.682 1.00 0.00 C ATOM 891 OD1 ASP A 62 7.466 -12.112 13.930 1.00 0.00 O ATOM 892 OD2 ASP A 62 8.393 -14.077 13.601 1.00 0.00 O ATOM 0 H ASP A 62 3.529 -14.399 12.990 1.00 0.00 H new ATOM 0 HA ASP A 62 5.210 -11.991 13.099 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.588 -14.203 14.435 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.124 -14.873 12.907 1.00 0.00 H new ATOM 897 N SER A 63 5.147 -14.152 10.588 1.00 0.00 N ATOM 898 CA SER A 63 5.413 -14.294 9.161 1.00 0.00 C ATOM 899 C SER A 63 5.207 -12.969 8.435 1.00 0.00 C ATOM 900 O SER A 63 4.093 -12.607 8.053 1.00 0.00 O ATOM 901 CB SER A 63 4.505 -15.367 8.556 1.00 0.00 C ATOM 902 OG SER A 63 4.903 -15.684 7.234 1.00 0.00 O ATOM 0 H SER A 63 4.764 -14.987 11.031 1.00 0.00 H new ATOM 0 HA SER A 63 6.453 -14.597 9.039 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.536 -16.265 9.174 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.473 -15.016 8.554 1.00 0.00 H new ATOM 0 HG SER A 63 4.309 -16.373 6.870 1.00 0.00 H new ATOM 908 N PRO A 64 6.306 -12.225 8.239 1.00 0.00 N ATOM 909 CA PRO A 64 6.273 -10.928 7.556 1.00 0.00 C ATOM 910 C PRO A 64 5.980 -11.064 6.066 1.00 0.00 C ATOM 911 O PRO A 64 5.667 -12.152 5.582 1.00 0.00 O ATOM 912 CB PRO A 64 7.684 -10.376 7.776 1.00 0.00 C ATOM 913 CG PRO A 64 8.536 -11.582 7.974 1.00 0.00 C ATOM 914 CD PRO A 64 7.666 -12.594 8.667 1.00 0.00 C ATOM 0 HA PRO A 64 5.483 -10.284 7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.018 -9.791 6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.721 -9.718 8.644 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.897 -11.966 7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.414 -11.345 8.575 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.919 -13.612 8.370 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.774 -12.542 9.750 1.00 0.00 H new ATOM 922 N VAL A 65 6.083 -9.954 5.344 1.00 0.00 N ATOM 923 CA VAL A 65 5.831 -9.949 3.907 1.00 0.00 C ATOM 924 C VAL A 65 6.860 -9.100 3.171 1.00 0.00 C ATOM 925 O VAL A 65 7.181 -7.990 3.595 1.00 0.00 O ATOM 926 CB VAL A 65 4.420 -9.419 3.587 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.217 -9.316 2.083 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.361 -10.311 4.217 1.00 0.00 C ATOM 0 H VAL A 65 6.339 -9.045 5.730 1.00 0.00 H new ATOM 0 HA VAL A 65 5.909 -10.982 3.568 1.00 0.00 H new ATOM 0 HB VAL A 65 4.320 -8.420 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.215 -8.940 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.955 -8.633 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.335 -10.301 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.370 -9.922 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.457 -11.323 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.496 -10.328 5.298 1.00 0.00 H new ATOM 938 N ARG A 66 7.374 -9.629 2.065 1.00 0.00 N ATOM 939 CA ARG A 66 8.368 -8.920 1.270 1.00 0.00 C ATOM 940 C ARG A 66 7.747 -7.713 0.573 1.00 0.00 C ATOM 941 O ARG A 66 6.816 -7.851 -0.221 1.00 0.00 O ATOM 942 CB ARG A 66 8.986 -9.859 0.232 1.00 0.00 C ATOM 943 CG ARG A 66 9.978 -10.849 0.820 1.00 0.00 C ATOM 944 CD ARG A 66 11.380 -10.262 0.884 1.00 0.00 C ATOM 945 NE ARG A 66 11.994 -10.166 -0.438 1.00 0.00 N ATOM 946 CZ ARG A 66 13.279 -9.896 -0.633 1.00 0.00 C ATOM 947 NH1 ARG A 66 14.083 -9.696 0.402 1.00 0.00 N ATOM 948 NH2 ARG A 66 13.764 -9.826 -1.866 1.00 0.00 N ATOM 0 H ARG A 66 7.118 -10.546 1.700 1.00 0.00 H new ATOM 0 HA ARG A 66 9.150 -8.567 1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.189 -10.410 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.488 -9.264 -0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.657 -11.136 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.990 -11.756 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.338 -9.271 1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.003 -10.881 1.529 1.00 0.00 H new ATOM 0 HE ARG A 66 11.403 -10.315 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.715 -9.749 1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.070 -9.489 0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.149 -9.980 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.752 -9.618 -2.015 1.00 0.00 H new ATOM 962 N THR A 67 8.268 -6.528 0.876 1.00 0.00 N ATOM 963 CA THR A 67 7.763 -5.297 0.282 1.00 0.00 C ATOM 964 C THR A 67 8.897 -4.468 -0.312 1.00 0.00 C ATOM 965 O THR A 67 10.071 -4.730 -0.052 1.00 0.00 O ATOM 966 CB THR A 67 7.005 -4.443 1.315 1.00 0.00 C ATOM 967 OG1 THR A 67 7.840 -4.193 2.452 1.00 0.00 O ATOM 968 CG2 THR A 67 5.729 -5.139 1.761 1.00 0.00 C ATOM 0 H THR A 67 9.040 -6.395 1.530 1.00 0.00 H new ATOM 0 HA THR A 67 7.075 -5.589 -0.511 1.00 0.00 H new ATOM 0 HB THR A 67 6.739 -3.496 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.351 -3.648 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.211 -4.517 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.083 -5.301 0.898 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.977 -6.099 2.214 1.00 0.00 H new ATOM 976 N MET A 68 8.538 -3.467 -1.109 1.00 0.00 N ATOM 977 CA MET A 68 9.527 -2.599 -1.737 1.00 0.00 C ATOM 978 C MET A 68 9.111 -1.135 -1.632 1.00 0.00 C ATOM 979 O MET A 68 7.938 -0.827 -1.422 1.00 0.00 O ATOM 980 CB MET A 68 9.714 -2.983 -3.207 1.00 0.00 C ATOM 981 CG MET A 68 11.108 -2.692 -3.738 1.00 0.00 C ATOM 982 SD MET A 68 11.452 -3.544 -5.290 1.00 0.00 S ATOM 983 CE MET A 68 12.814 -2.566 -5.919 1.00 0.00 C ATOM 0 H MET A 68 7.570 -3.237 -1.335 1.00 0.00 H new ATOM 0 HA MET A 68 10.473 -2.729 -1.211 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.503 -4.046 -3.326 1.00 0.00 H new ATOM 0 HB3 MET A 68 8.984 -2.444 -3.811 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.220 -1.618 -3.885 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.846 -2.990 -2.993 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.140 -2.970 -6.878 1.00 0.00 H new ATOM 0 HE2 MET A 68 12.490 -1.534 -6.051 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.642 -2.598 -5.211 1.00 0.00 H new ATOM 993 N VAL A 69 10.080 -0.237 -1.777 1.00 0.00 N ATOM 994 CA VAL A 69 9.814 1.194 -1.699 1.00 0.00 C ATOM 995 C VAL A 69 10.818 1.986 -2.529 1.00 0.00 C ATOM 996 O VAL A 69 11.976 2.136 -2.141 1.00 0.00 O ATOM 997 CB VAL A 69 9.860 1.694 -0.243 1.00 0.00 C ATOM 998 CG1 VAL A 69 11.234 1.453 0.362 1.00 0.00 C ATOM 999 CG2 VAL A 69 9.489 3.168 -0.174 1.00 0.00 C ATOM 0 H VAL A 69 11.057 -0.476 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 69 8.812 1.352 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 69 9.130 1.131 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.247 1.813 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.456 0.386 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.986 1.987 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.527 3.505 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.193 3.749 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.481 3.308 -0.565 1.00 0.00 H new ATOM 1009 N GLN A 70 10.365 2.491 -3.671 1.00 0.00 N ATOM 1010 CA GLN A 70 11.224 3.268 -4.557 1.00 0.00 C ATOM 1011 C GLN A 70 10.869 4.750 -4.497 1.00 0.00 C ATOM 1012 O GLN A 70 10.088 5.245 -5.310 1.00 0.00 O ATOM 1013 CB GLN A 70 11.104 2.760 -5.994 1.00 0.00 C ATOM 1014 CG GLN A 70 12.339 3.027 -6.839 1.00 0.00 C ATOM 1015 CD GLN A 70 12.220 2.463 -8.241 1.00 0.00 C ATOM 1016 OE1 GLN A 70 11.379 1.605 -8.508 1.00 0.00 O ATOM 1017 NE2 GLN A 70 13.064 2.944 -9.147 1.00 0.00 N ATOM 0 H GLN A 70 9.408 2.376 -4.005 1.00 0.00 H new ATOM 0 HA GLN A 70 12.254 3.146 -4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.911 1.687 -5.976 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.242 3.231 -6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.509 4.102 -6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.210 2.592 -6.349 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.746 3.655 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.030 2.602 -10.107 1.00 0.00 H new ATOM 1026 N ASP A 71 11.447 5.454 -3.530 1.00 0.00 N ATOM 1027 CA ASP A 71 11.192 6.880 -3.364 1.00 0.00 C ATOM 1028 C ASP A 71 11.595 7.653 -4.616 1.00 0.00 C ATOM 1029 O ASP A 71 12.777 7.749 -4.945 1.00 0.00 O ATOM 1030 CB ASP A 71 11.952 7.418 -2.151 1.00 0.00 C ATOM 1031 CG ASP A 71 11.331 8.684 -1.594 1.00 0.00 C ATOM 1032 OD1 ASP A 71 10.569 9.344 -2.330 1.00 0.00 O ATOM 1033 OD2 ASP A 71 11.609 9.015 -0.422 1.00 0.00 O ATOM 0 H ASP A 71 12.096 5.060 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 71 10.123 7.016 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.975 6.655 -1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.986 7.617 -2.433 1.00 0.00 H new ATOM 1038 N ASN A 72 10.604 8.201 -5.312 1.00 0.00 N ATOM 1039 CA ASN A 72 10.855 8.964 -6.529 1.00 0.00 C ATOM 1040 C ASN A 72 10.901 10.460 -6.234 1.00 0.00 C ATOM 1041 O ASN A 72 11.591 11.218 -6.916 1.00 0.00 O ATOM 1042 CB ASN A 72 9.774 8.671 -7.571 1.00 0.00 C ATOM 1043 CG ASN A 72 9.999 7.351 -8.283 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.828 7.254 -9.187 1.00 0.00 O ATOM 1045 ND2 ASN A 72 9.258 6.327 -7.876 1.00 0.00 N ATOM 0 H ASN A 72 9.620 8.131 -5.054 1.00 0.00 H new ATOM 0 HA ASN A 72 11.824 8.660 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.799 8.656 -7.084 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.752 9.477 -8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.364 5.413 -8.317 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.583 6.454 -7.122 1.00 0.00 H new ATOM 1052 N LYS A 73 10.162 10.879 -5.212 1.00 0.00 N ATOM 1053 CA LYS A 73 10.119 12.283 -4.823 1.00 0.00 C ATOM 1054 C LYS A 73 9.635 13.153 -5.979 1.00 0.00 C ATOM 1055 O LYS A 73 10.125 14.265 -6.179 1.00 0.00 O ATOM 1056 CB LYS A 73 11.502 12.750 -4.364 1.00 0.00 C ATOM 1057 CG LYS A 73 12.086 11.908 -3.242 1.00 0.00 C ATOM 1058 CD LYS A 73 12.877 10.729 -3.783 1.00 0.00 C ATOM 1059 CE LYS A 73 13.981 10.312 -2.823 1.00 0.00 C ATOM 1060 NZ LYS A 73 15.087 11.309 -2.783 1.00 0.00 N ATOM 0 H LYS A 73 9.584 10.265 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 73 9.416 12.383 -3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.184 12.731 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.435 13.786 -4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.733 12.527 -2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.282 11.545 -2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.206 9.887 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.312 10.993 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.566 10.190 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.377 9.342 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.946 10.860 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.273 11.660 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.815 12.104 -2.171 1.00 0.00 H new ATOM 1074 N ASP A 74 8.671 12.640 -6.736 1.00 0.00 N ATOM 1075 CA ASP A 74 8.120 13.372 -7.871 1.00 0.00 C ATOM 1076 C ASP A 74 6.613 13.554 -7.719 1.00 0.00 C ATOM 1077 O ASP A 74 5.878 13.574 -8.706 1.00 0.00 O ATOM 1078 CB ASP A 74 8.429 12.638 -9.177 1.00 0.00 C ATOM 1079 CG ASP A 74 9.833 12.913 -9.677 1.00 0.00 C ATOM 1080 OD1 ASP A 74 10.338 14.031 -9.442 1.00 0.00 O ATOM 1081 OD2 ASP A 74 10.427 12.011 -10.305 1.00 0.00 O ATOM 0 H ASP A 74 8.255 11.721 -6.584 1.00 0.00 H new ATOM 0 HA ASP A 74 8.586 14.357 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.304 11.566 -9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.710 12.939 -9.939 1.00 0.00 H new ATOM 1086 N GLY A 75 6.160 13.685 -6.476 1.00 0.00 N ATOM 1087 CA GLY A 75 4.743 13.863 -6.218 1.00 0.00 C ATOM 1088 C GLY A 75 4.058 12.569 -5.826 1.00 0.00 C ATOM 1089 O GLY A 75 3.073 12.577 -5.087 1.00 0.00 O ATOM 0 H GLY A 75 6.749 13.671 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.611 14.596 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.263 14.269 -7.108 1.00 0.00 H new ATOM 1093 N THR A 76 4.580 11.451 -6.321 1.00 0.00 N ATOM 1094 CA THR A 76 4.012 10.143 -6.020 1.00 0.00 C ATOM 1095 C THR A 76 5.095 9.155 -5.603 1.00 0.00 C ATOM 1096 O THR A 76 6.284 9.475 -5.631 1.00 0.00 O ATOM 1097 CB THR A 76 3.250 9.570 -7.230 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.102 9.549 -8.381 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.007 10.396 -7.528 1.00 0.00 C ATOM 0 H THR A 76 5.396 11.426 -6.933 1.00 0.00 H new ATOM 0 HA THR A 76 3.315 10.284 -5.194 1.00 0.00 H new ATOM 0 HB THR A 76 2.942 8.553 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.610 9.182 -9.145 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.486 9.972 -8.386 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.347 10.386 -6.661 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.297 11.423 -7.751 1.00 0.00 H new ATOM 1107 N TYR A 77 4.678 7.955 -5.216 1.00 0.00 N ATOM 1108 CA TYR A 77 5.613 6.921 -4.791 1.00 0.00 C ATOM 1109 C TYR A 77 5.350 5.611 -5.527 1.00 0.00 C ATOM 1110 O TYR A 77 4.282 5.417 -6.108 1.00 0.00 O ATOM 1111 CB TYR A 77 5.510 6.700 -3.281 1.00 0.00 C ATOM 1112 CG TYR A 77 6.151 7.797 -2.462 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.501 9.008 -2.257 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.408 7.624 -1.895 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.084 10.014 -1.511 1.00 0.00 C ATOM 1116 CE2 TYR A 77 7.997 8.624 -1.146 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.332 9.817 -0.957 1.00 0.00 C ATOM 1118 OH TYR A 77 7.916 10.816 -0.213 1.00 0.00 O ATOM 0 H TYR A 77 3.698 7.674 -5.188 1.00 0.00 H new ATOM 0 HA TYR A 77 6.621 7.257 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.459 6.620 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.979 5.749 -3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.523 9.165 -2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.933 6.692 -2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.566 10.950 -1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.974 8.472 -0.711 1.00 0.00 H new ATOM 0 HH TYR A 77 7.848 10.597 0.740 1.00 0.00 H new ATOM 1128 N TYR A 78 6.330 4.716 -5.497 1.00 0.00 N ATOM 1129 CA TYR A 78 6.206 3.424 -6.163 1.00 0.00 C ATOM 1130 C TYR A 78 6.359 2.280 -5.165 1.00 0.00 C ATOM 1131 O TYR A 78 7.473 1.848 -4.865 1.00 0.00 O ATOM 1132 CB TYR A 78 7.255 3.294 -7.269 1.00 0.00 C ATOM 1133 CG TYR A 78 6.860 2.334 -8.368 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.599 2.392 -8.948 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.747 1.367 -8.825 1.00 0.00 C ATOM 1136 CE1 TYR A 78 5.233 1.516 -9.952 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.391 0.488 -9.829 1.00 0.00 C ATOM 1138 CZ TYR A 78 6.133 0.566 -10.389 1.00 0.00 C ATOM 1139 OH TYR A 78 5.773 -0.309 -11.389 1.00 0.00 O ATOM 0 H TYR A 78 7.219 4.861 -5.019 1.00 0.00 H new ATOM 0 HA TYR A 78 5.212 3.366 -6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.436 4.277 -7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.196 2.962 -6.829 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.892 3.135 -8.608 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.732 1.302 -8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.248 1.575 -10.392 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.094 -0.256 -10.174 1.00 0.00 H new ATOM 0 HH TYR A 78 6.521 -0.913 -11.580 1.00 0.00 H new ATOM 1149 N ILE A 79 5.233 1.794 -4.655 1.00 0.00 N ATOM 1150 CA ILE A 79 5.240 0.700 -3.693 1.00 0.00 C ATOM 1151 C ILE A 79 4.876 -0.622 -4.361 1.00 0.00 C ATOM 1152 O ILE A 79 4.002 -0.672 -5.226 1.00 0.00 O ATOM 1153 CB ILE A 79 4.261 0.963 -2.533 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.682 2.211 -1.754 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.195 -0.246 -1.611 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.533 2.906 -1.059 1.00 0.00 C ATOM 0 H ILE A 79 4.304 2.141 -4.892 1.00 0.00 H new ATOM 0 HA ILE A 79 6.253 0.637 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 79 3.268 1.134 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.429 1.931 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.160 2.912 -2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.499 -0.045 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.853 -1.115 -2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.185 -0.446 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.905 3.781 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.795 3.217 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.069 2.221 -0.350 1.00 0.00 H new ATOM 1168 N SER A 80 5.551 -1.691 -3.951 1.00 0.00 N ATOM 1169 CA SER A 80 5.300 -3.014 -4.511 1.00 0.00 C ATOM 1170 C SER A 80 5.507 -4.098 -3.458 1.00 0.00 C ATOM 1171 O SER A 80 6.394 -3.995 -2.610 1.00 0.00 O ATOM 1172 CB SER A 80 6.220 -3.268 -5.707 1.00 0.00 C ATOM 1173 OG SER A 80 7.508 -3.677 -5.282 1.00 0.00 O ATOM 0 H SER A 80 6.276 -1.667 -3.233 1.00 0.00 H new ATOM 0 HA SER A 80 4.263 -3.049 -4.845 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.785 -4.035 -6.348 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.302 -2.361 -6.306 1.00 0.00 H new ATOM 0 HG SER A 80 8.076 -3.835 -6.065 1.00 0.00 H new ATOM 1179 N TYR A 81 4.681 -5.137 -3.518 1.00 0.00 N ATOM 1180 CA TYR A 81 4.770 -6.240 -2.568 1.00 0.00 C ATOM 1181 C TYR A 81 4.400 -7.562 -3.233 1.00 0.00 C ATOM 1182 O TYR A 81 3.559 -7.606 -4.131 1.00 0.00 O ATOM 1183 CB TYR A 81 3.854 -5.984 -1.370 1.00 0.00 C ATOM 1184 CG TYR A 81 2.383 -6.108 -1.695 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.788 -7.354 -1.852 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.588 -4.979 -1.847 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.445 -7.472 -2.150 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.243 -5.087 -2.144 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.324 -6.336 -2.295 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.663 -6.448 -2.591 1.00 0.00 O ATOM 0 H TYR A 81 3.943 -5.238 -4.214 1.00 0.00 H new ATOM 0 HA TYR A 81 5.801 -6.305 -2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.103 -6.688 -0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.049 -4.984 -0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.387 -8.246 -1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.029 -4.000 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.001 -8.448 -2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.361 -4.199 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.059 -5.554 -2.658 1.00 0.00 H new ATOM 1200 N THR A 82 5.034 -8.641 -2.783 1.00 0.00 N ATOM 1201 CA THR A 82 4.773 -9.965 -3.333 1.00 0.00 C ATOM 1202 C THR A 82 4.490 -10.974 -2.226 1.00 0.00 C ATOM 1203 O THR A 82 5.372 -11.347 -1.452 1.00 0.00 O ATOM 1204 CB THR A 82 5.959 -10.467 -4.178 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.318 -9.480 -5.152 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.613 -11.773 -4.875 1.00 0.00 C ATOM 0 H THR A 82 5.732 -8.623 -2.039 1.00 0.00 H new ATOM 0 HA THR A 82 3.894 -9.874 -3.972 1.00 0.00 H new ATOM 0 HB THR A 82 6.803 -10.643 -3.511 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.074 -9.806 -5.684 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.466 -12.107 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.369 -12.530 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.756 -11.620 -5.531 1.00 0.00 H new ATOM 1214 N PRO A 83 3.231 -11.429 -2.146 1.00 0.00 N ATOM 1215 CA PRO A 83 2.803 -12.403 -1.137 1.00 0.00 C ATOM 1216 C PRO A 83 3.392 -13.788 -1.382 1.00 0.00 C ATOM 1217 O PRO A 83 3.481 -14.244 -2.522 1.00 0.00 O ATOM 1218 CB PRO A 83 1.281 -12.433 -1.296 1.00 0.00 C ATOM 1219 CG PRO A 83 1.039 -12.012 -2.704 1.00 0.00 C ATOM 1220 CD PRO A 83 2.128 -11.029 -3.035 1.00 0.00 C ATOM 0 HA PRO A 83 3.135 -12.126 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.883 -13.430 -1.107 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.796 -11.757 -0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.068 -12.868 -3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.055 -11.555 -2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.417 -11.087 -4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.813 -10.002 -2.848 1.00 0.00 H new ATOM 1228 N LYS A 84 3.792 -14.454 -0.304 1.00 0.00 N ATOM 1229 CA LYS A 84 4.371 -15.789 -0.400 1.00 0.00 C ATOM 1230 C LYS A 84 3.281 -16.856 -0.402 1.00 0.00 C ATOM 1231 O LYS A 84 3.371 -17.845 -1.128 1.00 0.00 O ATOM 1232 CB LYS A 84 5.337 -16.033 0.761 1.00 0.00 C ATOM 1233 CG LYS A 84 6.595 -15.183 0.696 1.00 0.00 C ATOM 1234 CD LYS A 84 6.408 -13.855 1.409 1.00 0.00 C ATOM 1235 CE LYS A 84 6.491 -14.016 2.919 1.00 0.00 C ATOM 1236 NZ LYS A 84 7.893 -14.217 3.379 1.00 0.00 N ATOM 0 H LYS A 84 3.726 -14.091 0.647 1.00 0.00 H new ATOM 0 HA LYS A 84 4.919 -15.853 -1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.821 -15.832 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.620 -17.086 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.426 -15.726 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.860 -15.003 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.170 -13.151 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.441 -13.430 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.073 -13.133 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.882 -14.866 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.930 -14.153 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.226 -15.155 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.503 -13.483 2.965 1.00 0.00 H new ATOM 1250 N GLU A 85 2.254 -16.647 0.415 1.00 0.00 N ATOM 1251 CA GLU A 85 1.147 -17.592 0.505 1.00 0.00 C ATOM 1252 C GLU A 85 -0.190 -16.885 0.305 1.00 0.00 C ATOM 1253 O GLU A 85 -0.341 -15.696 0.586 1.00 0.00 O ATOM 1254 CB GLU A 85 1.162 -18.301 1.861 1.00 0.00 C ATOM 1255 CG GLU A 85 2.198 -19.409 1.957 1.00 0.00 C ATOM 1256 CD GLU A 85 1.936 -20.354 3.113 1.00 0.00 C ATOM 1257 OE1 GLU A 85 1.033 -21.207 2.989 1.00 0.00 O ATOM 1258 OE2 GLU A 85 2.634 -20.241 4.143 1.00 0.00 O ATOM 0 H GLU A 85 2.165 -15.833 1.023 1.00 0.00 H new ATOM 0 HA GLU A 85 1.270 -18.332 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.354 -17.567 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.175 -18.721 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.207 -19.975 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.188 -18.967 2.071 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.186 -17.632 -0.195 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.528 -17.099 -0.445 1.00 0.00 C ATOM 1267 C PRO A 86 -3.278 -16.787 0.846 1.00 0.00 C ATOM 1268 O PRO A 86 -2.897 -17.246 1.922 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.223 -18.229 -1.208 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.505 -19.466 -0.789 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.078 -19.057 -0.553 1.00 0.00 C ATOM 0 HA PRO A 86 -2.496 -16.156 -0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.283 -18.282 -0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.157 -18.078 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.945 -19.885 0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.568 -20.234 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.620 -19.639 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.466 -19.202 -1.443 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.347 -16.005 0.730 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.133 -15.646 1.896 1.00 0.00 C ATOM 1281 C GLY A 87 -5.334 -14.149 2.022 1.00 0.00 C ATOM 1282 O GLY A 87 -4.944 -13.387 1.137 1.00 0.00 O ATOM 0 H GLY A 87 -4.683 -15.614 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.105 -16.136 1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.639 -16.020 2.793 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.946 -13.726 3.123 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.198 -12.310 3.362 1.00 0.00 C ATOM 1288 C VAL A 88 -4.996 -11.641 4.019 1.00 0.00 C ATOM 1289 O VAL A 88 -4.353 -12.218 4.896 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.438 -12.103 4.252 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.277 -12.842 5.572 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.682 -10.620 4.489 1.00 0.00 C ATOM 0 H VAL A 88 -6.277 -14.344 3.864 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.378 -11.852 2.389 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.306 -12.513 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.163 -12.684 6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.154 -13.908 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.399 -12.464 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.562 -10.492 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.814 -10.183 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.845 -10.121 3.534 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.699 -10.419 3.590 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.573 -9.671 4.135 1.00 0.00 C ATOM 1304 C TYR A 89 -3.986 -8.245 4.488 1.00 0.00 C ATOM 1305 O TYR A 89 -5.004 -7.744 4.011 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.417 -9.645 3.133 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.685 -10.963 3.019 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.327 -12.098 2.541 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.350 -11.072 3.389 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.662 -13.304 2.436 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.323 -12.274 3.286 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.337 -13.387 2.809 1.00 0.00 C ATOM 1313 OH TYR A 89 0.329 -14.587 2.705 1.00 0.00 O ATOM 0 H TYR A 89 -5.223 -9.926 2.867 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.244 -10.172 5.046 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.803 -9.368 2.152 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.709 -8.870 3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.364 -12.037 2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.170 -10.203 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.177 -14.177 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.361 -12.342 3.578 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.210 -15.216 2.181 1.00 0.00 H new ATOM 1323 N THR A 90 -3.186 -7.596 5.329 1.00 0.00 N ATOM 1324 CA THR A 90 -3.467 -6.228 5.748 1.00 0.00 C ATOM 1325 C THR A 90 -2.276 -5.316 5.482 1.00 0.00 C ATOM 1326 O THR A 90 -1.258 -5.390 6.171 1.00 0.00 O ATOM 1327 CB THR A 90 -3.826 -6.162 7.245 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.637 -7.286 7.605 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.566 -4.873 7.567 1.00 0.00 C ATOM 0 H THR A 90 -2.339 -7.996 5.733 1.00 0.00 H new ATOM 0 HA THR A 90 -4.320 -5.887 5.162 1.00 0.00 H new ATOM 0 HB THR A 90 -2.900 -6.184 7.819 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.859 -7.237 8.558 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.809 -4.849 8.629 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.935 -4.020 7.320 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.485 -4.826 6.983 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.408 -4.454 4.479 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.343 -3.525 4.123 1.00 0.00 C ATOM 1339 C VAL A 91 -1.419 -2.254 4.961 1.00 0.00 C ATOM 1340 O VAL A 91 -2.453 -1.588 5.003 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.402 -3.148 2.631 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.196 -2.306 2.244 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.489 -4.398 1.768 1.00 0.00 C ATOM 0 H VAL A 91 -3.243 -4.380 3.898 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.400 -4.033 4.324 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.300 -2.553 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.256 -2.050 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.184 -1.393 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.717 -2.872 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.530 -4.112 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.612 -5.021 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.388 -4.957 2.027 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.318 -1.924 5.626 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.259 -0.731 6.463 1.00 0.00 C ATOM 1355 C TRP A 92 0.374 0.433 5.709 1.00 0.00 C ATOM 1356 O TRP A 92 1.582 0.449 5.474 1.00 0.00 O ATOM 1357 CB TRP A 92 0.531 -1.018 7.740 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.314 -1.561 8.853 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.266 -2.536 8.758 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.284 -1.159 10.226 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.830 -2.763 9.990 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.244 -1.932 10.908 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.462 -0.223 10.948 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.477 -1.795 12.274 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.230 -0.088 12.303 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.732 -0.871 12.955 1.00 0.00 C ATOM 0 H TRP A 92 0.546 -2.466 5.602 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.279 -0.454 6.730 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.324 -1.731 7.515 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.013 -0.099 8.075 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.536 -3.052 7.849 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.566 -3.441 10.189 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.207 0.384 10.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.219 -2.396 12.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.800 0.633 12.870 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.889 -0.743 14.016 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.449 1.407 5.332 1.00 0.00 N ATOM 1378 CA VAL A 93 0.031 2.576 4.606 1.00 0.00 C ATOM 1379 C VAL A 93 -0.232 3.856 5.390 1.00 0.00 C ATOM 1380 O VAL A 93 -1.377 4.285 5.533 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.634 2.689 3.221 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.085 3.886 2.461 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.434 1.406 2.428 1.00 0.00 C ATOM 0 H VAL A 93 -1.452 1.409 5.518 1.00 0.00 H new ATOM 0 HA VAL A 93 1.106 2.448 4.475 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.704 2.839 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.567 3.949 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.285 4.798 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.991 3.770 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.910 1.503 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.632 1.223 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.881 0.571 2.968 1.00 0.00 H new ATOM 1393 N CYS A 94 0.836 4.463 5.896 1.00 0.00 N ATOM 1394 CA CYS A 94 0.721 5.696 6.667 1.00 0.00 C ATOM 1395 C CYS A 94 1.814 6.686 6.276 1.00 0.00 C ATOM 1396 O CYS A 94 2.936 6.292 5.958 1.00 0.00 O ATOM 1397 CB CYS A 94 0.801 5.395 8.164 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.433 4.209 8.746 1.00 0.00 S ATOM 0 H CYS A 94 1.791 4.122 5.786 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.247 6.145 6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.795 5.011 8.394 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.683 6.327 8.718 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.283 4.019 10.023 1.00 0.00 H new ATOM 1404 N ILE A 95 1.477 7.971 6.300 1.00 0.00 N ATOM 1405 CA ILE A 95 2.429 9.017 5.947 1.00 0.00 C ATOM 1406 C ILE A 95 2.770 9.881 7.157 1.00 0.00 C ATOM 1407 O ILE A 95 1.894 10.509 7.751 1.00 0.00 O ATOM 1408 CB ILE A 95 1.885 9.918 4.824 1.00 0.00 C ATOM 1409 CG1 ILE A 95 1.794 9.136 3.512 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.768 11.146 4.655 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.204 9.936 2.371 1.00 0.00 C ATOM 0 H ILE A 95 0.552 8.313 6.560 1.00 0.00 H new ATOM 0 HA ILE A 95 3.331 8.517 5.595 1.00 0.00 H new ATOM 0 HB ILE A 95 0.883 10.250 5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.791 8.798 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.188 8.244 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.370 11.773 3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.786 11.712 5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.781 10.834 4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.170 9.319 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.194 10.252 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.822 10.814 2.184 1.00 0.00 H new ATOM 1423 N LYS A 96 4.049 9.909 7.515 1.00 0.00 N ATOM 1424 CA LYS A 96 4.508 10.698 8.652 1.00 0.00 C ATOM 1425 C LYS A 96 3.850 10.225 9.944 1.00 0.00 C ATOM 1426 O LYS A 96 3.434 11.036 10.771 1.00 0.00 O ATOM 1427 CB LYS A 96 4.205 12.181 8.426 1.00 0.00 C ATOM 1428 CG LYS A 96 4.986 12.792 7.275 1.00 0.00 C ATOM 1429 CD LYS A 96 4.485 14.187 6.940 1.00 0.00 C ATOM 1430 CE LYS A 96 5.037 15.224 7.906 1.00 0.00 C ATOM 1431 NZ LYS A 96 4.202 16.458 7.931 1.00 0.00 N ATOM 0 H LYS A 96 4.787 9.394 7.034 1.00 0.00 H new ATOM 0 HA LYS A 96 5.586 10.564 8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.139 12.300 8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.429 12.732 9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.044 12.837 7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.901 12.153 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.777 14.445 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.396 14.201 6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.085 14.798 8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.057 15.481 7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.611 17.140 8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.176 16.879 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.235 16.217 8.229 1.00 0.00 H new ATOM 1445 N GLU A 97 3.761 8.909 10.111 1.00 0.00 N ATOM 1446 CA GLU A 97 3.153 8.330 11.303 1.00 0.00 C ATOM 1447 C GLU A 97 1.673 8.692 11.390 1.00 0.00 C ATOM 1448 O GLU A 97 1.169 9.030 12.460 1.00 0.00 O ATOM 1449 CB GLU A 97 3.882 8.813 12.559 1.00 0.00 C ATOM 1450 CG GLU A 97 5.350 8.423 12.599 1.00 0.00 C ATOM 1451 CD GLU A 97 5.563 7.000 13.078 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.104 6.673 14.192 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.189 6.213 12.337 1.00 0.00 O ATOM 0 H GLU A 97 4.102 8.224 9.436 1.00 0.00 H new ATOM 0 HA GLU A 97 3.240 7.246 11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.801 9.898 12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.383 8.406 13.438 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.779 8.535 11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.886 9.108 13.256 1.00 0.00 H new ATOM 1460 N GLN A 98 0.984 8.618 10.256 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.437 8.938 10.203 1.00 0.00 C ATOM 1462 C GLN A 98 -1.156 8.060 9.185 1.00 0.00 C ATOM 1463 O GLN A 98 -0.702 7.909 8.050 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.636 10.414 9.853 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.235 11.364 10.969 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.624 12.800 10.681 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.660 13.280 11.144 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.206 13.497 9.913 1.00 0.00 N ATOM 0 H GLN A 98 1.387 8.339 9.361 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.864 8.744 11.187 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.055 10.649 8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.684 10.581 9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.704 11.044 11.899 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.843 11.307 11.120 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.053 13.060 9.550 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.004 14.469 9.686 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.279 7.481 9.598 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.062 6.618 8.720 1.00 0.00 C ATOM 1479 C HIS A 99 -3.789 7.437 7.658 1.00 0.00 C ATOM 1480 O HIS A 99 -4.614 8.292 7.977 1.00 0.00 O ATOM 1481 CB HIS A 99 -4.070 5.807 9.535 1.00 0.00 C ATOM 1482 CG HIS A 99 -3.486 5.190 10.769 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -3.235 3.840 10.888 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -3.103 5.748 11.941 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -2.723 3.594 12.081 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -2.632 4.735 12.739 1.00 0.00 N ATOM 0 H HIS A 99 -2.667 7.594 10.535 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.377 5.934 8.219 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.899 6.455 9.820 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.483 5.019 8.906 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.158 6.795 12.200 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.429 2.624 12.454 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.270 4.846 13.686 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.475 7.170 6.394 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.099 7.882 5.285 1.00 0.00 C ATOM 1497 C VAL A 100 -5.544 7.437 5.090 1.00 0.00 C ATOM 1498 O VAL A 100 -6.062 6.625 5.856 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.324 7.663 3.972 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.881 8.122 4.120 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.388 6.203 3.553 1.00 0.00 C ATOM 0 H VAL A 100 -2.792 6.466 6.113 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.080 8.942 5.538 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.791 8.262 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.349 7.959 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.860 9.183 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.398 7.553 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.835 6.067 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.947 5.581 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.428 5.913 3.403 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.189 7.975 4.060 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.575 7.634 3.764 1.00 0.00 C ATOM 1513 C GLN A 101 -7.690 6.191 3.285 1.00 0.00 C ATOM 1514 O GLN A 101 -6.826 5.696 2.562 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.141 8.582 2.705 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.530 8.196 2.223 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.984 9.018 1.033 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -10.108 10.240 1.119 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.235 8.349 -0.087 1.00 0.00 N ATOM 0 H GLN A 101 -5.774 8.649 3.417 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.153 7.740 4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.175 9.592 3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.463 8.607 1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.537 7.140 1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.242 8.321 3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.119 7.336 -0.113 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.544 8.848 -0.921 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.763 5.520 3.694 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.970 4.140 3.296 1.00 0.00 C ATOM 1530 C GLY A 102 -7.788 3.254 3.637 1.00 0.00 C ATOM 1531 O GLY A 102 -7.440 2.352 2.875 1.00 0.00 O ATOM 0 H GLY A 102 -9.492 5.907 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.863 3.754 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.153 4.098 2.222 1.00 0.00 H new ATOM 1535 N SER A 103 -7.167 3.513 4.783 1.00 0.00 N ATOM 1536 CA SER A 103 -6.013 2.736 5.220 1.00 0.00 C ATOM 1537 C SER A 103 -5.969 2.637 6.742 1.00 0.00 C ATOM 1538 O SER A 103 -6.303 3.579 7.461 1.00 0.00 O ATOM 1539 CB SER A 103 -4.720 3.368 4.701 1.00 0.00 C ATOM 1540 OG SER A 103 -3.726 2.384 4.476 1.00 0.00 O ATOM 0 H SER A 103 -7.444 4.255 5.426 1.00 0.00 H new ATOM 0 HA SER A 103 -6.107 1.730 4.811 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.921 3.905 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.355 4.100 5.421 1.00 0.00 H new ATOM 0 HG SER A 103 -3.722 2.134 3.529 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.548 1.468 7.246 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.149 0.339 6.400 1.00 0.00 C ATOM 1548 C PRO A 104 -6.334 -0.289 5.675 1.00 0.00 C ATOM 1549 O PRO A 104 -7.478 0.133 5.851 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.545 -0.654 7.396 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.192 -0.328 8.697 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.429 1.157 8.681 1.00 0.00 C ATOM 0 HA PRO A 104 -4.462 0.644 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.747 -1.683 7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.462 -0.546 7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.130 -0.872 8.814 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.553 -0.612 9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.334 1.425 9.227 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.605 1.701 9.143 1.00 0.00 H new ATOM 1560 N PHE A 105 -6.055 -1.300 4.858 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.098 -1.986 4.105 1.00 0.00 C ATOM 1562 C PHE A 105 -6.840 -3.489 4.064 1.00 0.00 C ATOM 1563 O PHE A 105 -5.817 -3.969 4.552 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.177 -1.431 2.681 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.857 -1.426 1.966 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.419 -2.550 1.283 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.052 -0.298 1.976 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.205 -2.549 0.623 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -3.837 -0.291 1.318 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.412 -1.418 0.642 1.00 0.00 C ATOM 0 H PHE A 105 -5.114 -1.662 4.701 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.049 -1.812 4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -7.890 -2.024 2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.565 -0.413 2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.034 -3.437 1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.378 0.586 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.877 -3.431 0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.220 0.595 1.332 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.461 -1.415 0.129 1.00 0.00 H new ATOM 1580 N THR A 106 -7.777 -4.228 3.478 1.00 0.00 N ATOM 1581 CA THR A 106 -7.654 -5.677 3.374 1.00 0.00 C ATOM 1582 C THR A 106 -7.366 -6.103 1.939 1.00 0.00 C ATOM 1583 O THR A 106 -7.862 -5.496 0.990 1.00 0.00 O ATOM 1584 CB THR A 106 -8.932 -6.386 3.862 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.469 -5.701 4.999 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.641 -7.834 4.227 1.00 0.00 C ATOM 0 H THR A 106 -8.630 -3.847 3.068 1.00 0.00 H new ATOM 0 HA THR A 106 -6.819 -5.970 4.011 1.00 0.00 H new ATOM 0 HB THR A 106 -9.661 -6.371 3.052 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.282 -6.157 5.302 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.558 -8.314 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.260 -8.360 3.352 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.896 -7.866 5.022 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.563 -7.151 1.788 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.211 -7.659 0.467 1.00 0.00 C ATOM 1596 C VAL A 107 -6.432 -9.165 0.381 1.00 0.00 C ATOM 1597 O VAL A 107 -6.084 -9.909 1.300 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.744 -7.346 0.118 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.380 -7.932 -1.237 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.500 -5.844 0.141 1.00 0.00 C ATOM 0 H VAL A 107 -6.144 -7.665 2.563 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.862 -7.157 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.104 -7.807 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.340 -7.700 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.514 -9.013 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.025 -7.503 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.458 -5.641 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.149 -5.359 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.718 -5.455 1.136 1.00 0.00 H new ATOM 1610 N THR A 108 -7.012 -9.610 -0.729 1.00 0.00 N ATOM 1611 CA THR A 108 -7.280 -11.028 -0.935 1.00 0.00 C ATOM 1612 C THR A 108 -6.286 -11.638 -1.916 1.00 0.00 C ATOM 1613 O THR A 108 -6.280 -11.301 -3.100 1.00 0.00 O ATOM 1614 CB THR A 108 -8.710 -11.258 -1.460 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.662 -10.694 -0.552 1.00 0.00 O ATOM 1616 CG2 THR A 108 -8.989 -12.743 -1.637 1.00 0.00 C ATOM 0 H THR A 108 -7.305 -9.009 -1.499 1.00 0.00 H new ATOM 0 HA THR A 108 -7.174 -11.515 0.035 1.00 0.00 H new ATOM 0 HB THR A 108 -8.800 -10.769 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.568 -10.843 -0.894 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.004 -12.881 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.281 -13.164 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.882 -13.250 -0.678 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.447 -12.540 -1.417 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.449 -13.200 -2.251 1.00 0.00 C ATOM 1626 C VAL A 109 -4.950 -14.553 -2.741 1.00 0.00 C ATOM 1627 O VAL A 109 -5.000 -15.521 -1.982 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.125 -13.400 -1.489 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.104 -14.105 -2.369 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.586 -12.065 -0.998 1.00 0.00 C ATOM 0 H VAL A 109 -5.438 -12.831 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.272 -12.550 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.317 -14.030 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.175 -14.238 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.491 -15.079 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.913 -13.504 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.651 -12.225 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.408 -11.409 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.313 -11.603 -0.330 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.321 -14.614 -4.016 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.819 -15.849 -4.609 1.00 0.00 C ATOM 1642 C ARG A 110 -4.683 -16.842 -4.833 1.00 0.00 C ATOM 1643 O ARG A 110 -3.509 -16.502 -4.681 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.523 -15.556 -5.935 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.497 -14.391 -5.863 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.180 -14.152 -7.201 1.00 0.00 C ATOM 1647 NE ARG A 110 -7.226 -13.786 -8.244 1.00 0.00 N ATOM 1648 CZ ARG A 110 -6.566 -14.672 -8.981 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -6.757 -15.970 -8.791 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -5.715 -14.261 -9.912 1.00 0.00 N ATOM 0 H ARG A 110 -5.286 -13.822 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.534 -16.292 -3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.772 -15.344 -6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.060 -16.448 -6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.249 -14.591 -5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.966 -13.489 -5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.717 -15.052 -7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.921 -13.360 -7.093 1.00 0.00 H new ATOM 0 HE ARG A 110 -7.057 -12.795 -8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.412 -16.290 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.249 -16.649 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.567 -13.263 -10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.209 -14.943 -10.477 1.00 0.00 H new ATOM 1664 N ARG A 111 -5.039 -18.071 -5.194 1.00 0.00 N ATOM 1665 CA ARG A 111 -4.050 -19.113 -5.437 1.00 0.00 C ATOM 1666 C ARG A 111 -3.634 -19.136 -6.905 1.00 0.00 C ATOM 1667 O ARG A 111 -4.451 -18.908 -7.797 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.607 -20.479 -5.032 1.00 0.00 C ATOM 1669 CG ARG A 111 -4.706 -20.675 -3.528 1.00 0.00 C ATOM 1670 CD ARG A 111 -5.735 -21.736 -3.171 1.00 0.00 C ATOM 1671 NE ARG A 111 -5.212 -23.088 -3.352 1.00 0.00 N ATOM 1672 CZ ARG A 111 -4.376 -23.673 -2.501 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -3.970 -23.027 -1.416 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -3.945 -24.906 -2.734 1.00 0.00 N ATOM 0 H ARG A 111 -6.006 -18.369 -5.324 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.171 -18.893 -4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -5.596 -20.603 -5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.972 -21.260 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.732 -20.964 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.975 -19.731 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.048 -21.604 -2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.622 -21.604 -3.791 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.505 -23.612 -4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.300 -22.079 -1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.328 -23.478 -0.764 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.255 -25.406 -3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.303 -25.354 -2.080 1.00 0.00 H new