USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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 10 HIS :FLIP no HD1:sc= -1.8 F(o=-3.6,f=-2.2) USER MOD Set 1.2: A 113 SER OG : rot -130:sc= -0.389 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-3.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -164:sc= -9.84! (180deg=-11.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0532) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= -0.245 (180deg=-1.13) USER MOD Single : A 53 TYR OH : rot 150:sc= 0.375 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.717 K(o=-0.72,f=-3.1!) USER MOD Single : A 60 THR OG1 : rot 177:sc= -1.86! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0789 X(o=-0.079,f=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.822 F(o=-1.6,f=-0.82) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS :FLIP no HD1:sc= -0.156 F(o=-0.86,f=-0.16) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.463 F(o=-2.4,f=-0.46) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.144 F(o=-1.1,f=-0.14) USER MOD Single : A 102 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.15) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl -171:sc= -0.546 (180deg=-0.743) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 112 THR OG1 : rot -84:sc= -0.613 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -2.32! C(o=-2.3!,f=-4.1!) USER MOD Single : A 118 SER OG : rot 90:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 -6.003 6.358 -10.251 1.00 0.00 N ATOM 89 CA HIS A 10 -5.311 6.425 -11.540 1.00 0.00 C ATOM 90 C HIS A 10 -5.018 5.045 -12.078 1.00 0.00 C ATOM 91 O HIS A 10 -5.165 4.028 -11.391 1.00 0.00 O ATOM 92 CB HIS A 10 -4.006 7.208 -11.303 1.00 0.00 C ATOM 93 CG HIS A 10 -4.062 8.583 -11.912 1.00 0.00 C ATOM 94 ND1 HIS A 10 -3.284 9.644 -11.470 1.00 0.00 N flip ATOM 95 CD2 HIS A 10 -4.884 8.961 -12.973 1.00 0.00 C flip ATOM 96 CE1 HIS A 10 -3.588 10.740 -12.234 1.00 0.00 C flip ATOM 97 NE2 HIS A 10 -4.532 10.256 -13.085 1.00 0.00 N flip ATOM 0 HA HIS A 10 -5.935 6.920 -12.284 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.822 7.292 -10.232 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.168 6.656 -11.728 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.597 8.382 -13.541 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.180 11.738 -12.175 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.961 10.857 -13.788 1.00 0.00 H new ATOM 105 N GLU A 11 -4.619 4.977 -13.337 1.00 0.00 N ATOM 106 CA GLU A 11 -4.322 3.698 -13.979 1.00 0.00 C ATOM 107 C GLU A 11 -3.212 3.847 -14.992 1.00 0.00 C ATOM 108 O GLU A 11 -3.272 4.679 -15.905 1.00 0.00 O ATOM 109 CB GLU A 11 -5.622 3.162 -14.641 1.00 0.00 C ATOM 110 CG GLU A 11 -6.657 4.213 -15.164 1.00 0.00 C ATOM 111 CD GLU A 11 -7.780 3.728 -16.085 1.00 0.00 C ATOM 112 OE1 GLU A 11 -8.159 2.565 -16.118 1.00 0.00 O ATOM 113 OE2 GLU A 11 -8.315 4.711 -16.861 1.00 0.00 O ATOM 0 H GLU A 11 -4.492 5.791 -13.939 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.976 2.984 -13.232 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.335 2.528 -15.480 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.129 2.523 -13.917 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.119 4.685 -14.297 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.104 4.989 -15.693 1.00 0.00 H new ATOM 120 N GLY A 12 -2.164 3.053 -14.839 1.00 0.00 N ATOM 121 CA GLY A 12 -0.973 3.202 -15.669 1.00 0.00 C ATOM 122 C GLY A 12 -0.135 1.946 -15.706 1.00 0.00 C ATOM 123 O GLY A 12 -0.471 0.892 -15.155 1.00 0.00 O ATOM 0 H GLY A 12 -2.111 2.301 -14.152 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.271 3.466 -16.684 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.370 4.027 -15.289 1.00 0.00 H new ATOM 127 N TYR A 13 0.993 2.042 -16.392 1.00 0.00 N ATOM 128 CA TYR A 13 1.996 0.984 -16.445 1.00 0.00 C ATOM 129 C TYR A 13 3.308 1.461 -15.865 1.00 0.00 C ATOM 130 O TYR A 13 3.922 2.423 -16.338 1.00 0.00 O ATOM 131 CB TYR A 13 2.253 0.543 -17.915 1.00 0.00 C ATOM 132 CG TYR A 13 3.521 -0.235 -18.283 1.00 0.00 C ATOM 133 CD1 TYR A 13 4.209 -0.995 -17.334 1.00 0.00 C ATOM 134 CD2 TYR A 13 3.994 -0.188 -19.603 1.00 0.00 C ATOM 135 CE1 TYR A 13 5.368 -1.679 -17.693 1.00 0.00 C ATOM 136 CE2 TYR A 13 5.124 -0.914 -19.968 1.00 0.00 C ATOM 137 CZ TYR A 13 5.838 -1.618 -19.002 1.00 0.00 C ATOM 138 OH TYR A 13 7.004 -2.246 -19.340 1.00 0.00 O ATOM 0 H TYR A 13 1.243 2.868 -16.936 1.00 0.00 H new ATOM 0 HA TYR A 13 1.613 0.145 -15.864 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.402 -0.065 -18.222 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.239 1.444 -18.528 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.842 -1.052 -16.320 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.480 0.413 -20.338 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.903 -2.258 -16.955 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.446 -0.931 -20.999 1.00 0.00 H new ATOM 0 HH TYR A 13 7.187 -2.105 -20.292 1.00 0.00 H new ATOM 148 N VAL A 14 3.763 0.757 -14.839 1.00 0.00 N ATOM 149 CA VAL A 14 4.924 1.180 -14.066 1.00 0.00 C ATOM 150 C VAL A 14 5.455 0.081 -13.175 1.00 0.00 C ATOM 151 O VAL A 14 5.219 -1.114 -13.379 1.00 0.00 O ATOM 152 CB VAL A 14 4.543 2.435 -13.177 1.00 0.00 C ATOM 153 CG1 VAL A 14 3.644 3.520 -13.832 1.00 0.00 C ATOM 154 CG2 VAL A 14 3.828 2.065 -11.854 1.00 0.00 C ATOM 0 H VAL A 14 3.343 -0.116 -14.520 1.00 0.00 H new ATOM 0 HA VAL A 14 5.709 1.438 -14.776 1.00 0.00 H new ATOM 0 HB VAL A 14 5.539 2.849 -13.017 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.460 4.321 -13.116 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.146 3.926 -14.710 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.695 3.075 -14.130 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.598 2.974 -11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.904 1.532 -12.077 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.479 1.428 -11.255 1.00 0.00 H new ATOM 164 N THR A 15 6.200 0.495 -12.156 1.00 0.00 N ATOM 165 CA THR A 15 6.657 -0.422 -11.113 1.00 0.00 C ATOM 166 C THR A 15 5.933 -0.159 -9.813 1.00 0.00 C ATOM 167 O THR A 15 5.741 0.994 -9.400 1.00 0.00 O ATOM 168 CB THR A 15 8.207 -0.321 -10.909 1.00 0.00 C ATOM 169 OG1 THR A 15 8.832 0.197 -12.076 1.00 0.00 O ATOM 170 CG2 THR A 15 8.947 -1.648 -10.630 1.00 0.00 C ATOM 0 H THR A 15 6.502 1.461 -12.028 1.00 0.00 H new ATOM 0 HA THR A 15 6.425 -1.436 -11.438 1.00 0.00 H new ATOM 0 HB THR A 15 8.288 0.317 -10.029 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.799 0.255 -11.931 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.012 -1.452 -10.507 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.553 -2.100 -9.719 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.798 -2.330 -11.467 1.00 0.00 H new ATOM 178 N ARG A 16 5.501 -1.213 -9.148 1.00 0.00 N ATOM 179 CA ARG A 16 4.656 -1.086 -7.962 1.00 0.00 C ATOM 180 C ARG A 16 5.064 -2.077 -6.895 1.00 0.00 C ATOM 181 O ARG A 16 5.659 -3.126 -7.182 1.00 0.00 O ATOM 182 CB ARG A 16 3.169 -1.286 -8.370 1.00 0.00 C ATOM 183 CG ARG A 16 2.805 -0.673 -9.751 1.00 0.00 C ATOM 184 CD ARG A 16 2.181 0.725 -9.653 1.00 0.00 C ATOM 185 NE ARG A 16 1.438 0.989 -10.912 1.00 0.00 N ATOM 186 CZ ARG A 16 0.981 2.169 -11.308 1.00 0.00 C ATOM 187 NH1 ARG A 16 1.109 3.270 -10.630 1.00 0.00 N ATOM 188 NH2 ARG A 16 0.372 2.220 -12.440 1.00 0.00 N ATOM 0 H ARG A 16 5.720 -2.175 -9.406 1.00 0.00 H new ATOM 0 HA ARG A 16 4.780 -0.089 -7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.948 -2.353 -8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.530 -0.841 -7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.704 -0.619 -10.364 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.109 -1.338 -10.263 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.510 0.783 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.955 1.478 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 16 1.264 0.193 -11.525 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.588 3.262 -9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.731 4.143 -10.999 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.256 1.372 -12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.005 3.108 -12.782 1.00 0.00 H new ATOM 202 N LYS A 17 4.738 -1.785 -5.651 1.00 0.00 N ATOM 203 CA LYS A 17 4.932 -2.716 -4.539 1.00 0.00 C ATOM 204 C LYS A 17 3.611 -3.028 -3.875 1.00 0.00 C ATOM 205 O LYS A 17 3.310 -2.592 -2.759 1.00 0.00 O ATOM 206 CB LYS A 17 5.947 -2.111 -3.531 1.00 0.00 C ATOM 207 CG LYS A 17 6.022 -2.859 -2.177 1.00 0.00 C ATOM 208 CD LYS A 17 7.434 -3.231 -1.714 1.00 0.00 C ATOM 209 CE LYS A 17 8.044 -2.057 -0.936 1.00 0.00 C ATOM 210 NZ LYS A 17 9.006 -2.575 0.053 1.00 0.00 N ATOM 0 H LYS A 17 4.329 -0.893 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 17 5.337 -3.655 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.937 -2.109 -3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.680 -1.071 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.558 -2.238 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.429 -3.771 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.399 -4.120 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.058 -3.474 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.543 -1.372 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.259 -1.491 -0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.421 -1.782 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.516 -3.212 0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.760 -3.097 -0.437 1.00 0.00 H new ATOM 224 N HIS A 18 2.799 -3.822 -4.554 1.00 0.00 N ATOM 225 CA HIS A 18 1.430 -4.088 -4.117 1.00 0.00 C ATOM 226 C HIS A 18 1.315 -5.434 -3.440 1.00 0.00 C ATOM 227 O HIS A 18 0.608 -6.339 -3.911 1.00 0.00 O ATOM 228 CB HIS A 18 0.560 -4.047 -5.386 1.00 0.00 C ATOM 229 CG HIS A 18 1.015 -4.990 -6.460 1.00 0.00 C ATOM 230 ND1 HIS A 18 2.087 -4.788 -7.327 1.00 0.00 N ATOM 231 CD2 HIS A 18 0.384 -6.202 -6.710 1.00 0.00 C ATOM 232 CE1 HIS A 18 2.020 -5.924 -8.047 1.00 0.00 C ATOM 233 NE2 HIS A 18 1.036 -6.815 -7.748 1.00 0.00 N ATOM 0 H HIS A 18 3.063 -4.298 -5.416 1.00 0.00 H new ATOM 0 HA HIS A 18 1.109 -3.348 -3.384 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.469 -4.285 -5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.559 -3.032 -5.783 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.471 -6.593 -6.179 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.727 -6.122 -8.839 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.834 -7.714 -8.186 1.00 0.00 H new ATOM 445 N TRP A 32 10.016 -5.218 -6.737 1.00 0.00 N ATOM 446 CA TRP A 32 8.731 -4.677 -7.168 1.00 0.00 C ATOM 447 C TRP A 32 8.353 -5.205 -8.532 1.00 0.00 C ATOM 448 O TRP A 32 9.202 -5.420 -9.406 1.00 0.00 O ATOM 449 CB TRP A 32 8.821 -3.126 -7.211 1.00 0.00 C ATOM 450 CG TRP A 32 9.107 -2.459 -5.862 1.00 0.00 C ATOM 451 CD1 TRP A 32 9.725 -3.075 -4.754 1.00 0.00 C ATOM 452 CD2 TRP A 32 8.910 -1.142 -5.500 1.00 0.00 C ATOM 453 NE1 TRP A 32 9.927 -2.164 -3.699 1.00 0.00 N ATOM 454 CE2 TRP A 32 9.412 -0.972 -4.186 1.00 0.00 C ATOM 455 CE3 TRP A 32 8.345 -0.047 -6.203 1.00 0.00 C ATOM 456 CZ2 TRP A 32 9.354 0.295 -3.567 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.222 1.174 -5.539 1.00 0.00 C ATOM 458 CH2 TRP A 32 8.719 1.343 -4.239 1.00 0.00 C ATOM 0 HA TRP A 32 7.963 -4.987 -6.459 1.00 0.00 H new ATOM 0 HB2 TRP A 32 9.604 -2.841 -7.914 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.883 -2.733 -7.603 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.008 -4.117 -4.719 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.353 -2.340 -2.789 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.018 -0.156 -7.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 9.792 0.452 -2.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 7.736 2.002 -6.034 1.00 0.00 H new ATOM 0 HH2 TRP A 32 8.609 2.299 -3.749 1.00 0.00 H new ATOM 469 N ASP A 33 7.071 -5.446 -8.734 1.00 0.00 N ATOM 470 CA ASP A 33 6.581 -6.020 -9.984 1.00 0.00 C ATOM 471 C ASP A 33 6.171 -4.938 -10.955 1.00 0.00 C ATOM 472 O ASP A 33 5.558 -3.929 -10.589 1.00 0.00 O ATOM 473 CB ASP A 33 5.422 -7.013 -9.704 1.00 0.00 C ATOM 474 CG ASP A 33 5.727 -8.182 -8.756 1.00 0.00 C ATOM 475 OD1 ASP A 33 6.437 -8.072 -7.768 1.00 0.00 O ATOM 476 OD2 ASP A 33 5.121 -9.347 -9.140 1.00 0.00 O ATOM 0 H ASP A 33 6.342 -5.253 -8.047 1.00 0.00 H new ATOM 0 HA ASP A 33 7.392 -6.578 -10.452 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.585 -6.450 -9.291 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.090 -7.426 -10.657 1.00 0.00 H new ATOM 481 N LYS A 34 6.512 -5.132 -12.216 1.00 0.00 N ATOM 482 CA LYS A 34 6.069 -4.251 -13.293 1.00 0.00 C ATOM 483 C LYS A 34 4.792 -4.765 -13.915 1.00 0.00 C ATOM 484 O LYS A 34 4.693 -5.946 -14.291 1.00 0.00 O ATOM 485 CB LYS A 34 7.205 -4.125 -14.347 1.00 0.00 C ATOM 486 CG LYS A 34 8.564 -4.681 -13.850 1.00 0.00 C ATOM 487 CD LYS A 34 9.789 -4.241 -14.655 1.00 0.00 C ATOM 488 CE LYS A 34 11.062 -4.608 -13.881 1.00 0.00 C ATOM 489 NZ LYS A 34 11.440 -3.488 -13.000 1.00 0.00 N ATOM 0 H LYS A 34 7.103 -5.903 -12.527 1.00 0.00 H new ATOM 0 HA LYS A 34 5.853 -3.262 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.912 -4.656 -15.253 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.326 -3.076 -14.618 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.704 -4.377 -12.813 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.517 -5.770 -13.859 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.790 -4.726 -15.631 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.755 -3.166 -14.833 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.895 -5.509 -13.291 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.872 -4.828 -14.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.303 -3.735 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.616 -2.639 -13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.668 -3.299 -12.329 1.00 0.00 H new ATOM 503 N VAL A 35 3.795 -3.910 -14.067 1.00 0.00 N ATOM 504 CA VAL A 35 2.474 -4.352 -14.515 1.00 0.00 C ATOM 505 C VAL A 35 1.645 -3.210 -15.057 1.00 0.00 C ATOM 506 O VAL A 35 1.995 -2.029 -14.963 1.00 0.00 O ATOM 507 CB VAL A 35 1.718 -5.053 -13.315 1.00 0.00 C ATOM 508 CG1 VAL A 35 2.608 -5.625 -12.176 1.00 0.00 C ATOM 509 CG2 VAL A 35 0.681 -4.146 -12.605 1.00 0.00 C ATOM 0 H VAL A 35 3.869 -2.908 -13.889 1.00 0.00 H new ATOM 0 HA VAL A 35 2.617 -5.061 -15.330 1.00 0.00 H new ATOM 0 HB VAL A 35 1.244 -5.874 -13.853 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.976 -6.079 -11.413 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.282 -6.378 -12.584 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.191 -4.819 -11.731 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.207 -4.700 -11.795 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.183 -3.268 -12.199 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.078 -3.831 -13.321 1.00 0.00 H new ATOM 519 N TYR A 36 0.501 -3.561 -15.622 1.00 0.00 N ATOM 520 CA TYR A 36 -0.502 -2.587 -16.047 1.00 0.00 C ATOM 521 C TYR A 36 -1.683 -2.615 -15.103 1.00 0.00 C ATOM 522 O TYR A 36 -2.715 -3.268 -15.326 1.00 0.00 O ATOM 523 CB TYR A 36 -1.030 -2.881 -17.482 1.00 0.00 C ATOM 524 CG TYR A 36 -0.357 -2.166 -18.661 1.00 0.00 C ATOM 525 CD1 TYR A 36 -0.764 -0.877 -19.020 1.00 0.00 C ATOM 526 CD2 TYR A 36 0.655 -2.798 -19.391 1.00 0.00 C ATOM 527 CE1 TYR A 36 -0.184 -0.239 -20.113 1.00 0.00 C ATOM 528 CE2 TYR A 36 1.184 -2.184 -20.524 1.00 0.00 C ATOM 529 CZ TYR A 36 0.768 -0.905 -20.881 1.00 0.00 C ATOM 530 OH TYR A 36 1.294 -0.304 -21.990 1.00 0.00 O ATOM 0 H TYR A 36 0.238 -4.530 -15.801 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.017 -1.611 -16.040 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.950 -3.954 -17.653 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.091 -2.633 -17.504 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.530 -0.375 -18.448 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.026 -3.762 -19.076 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.472 0.771 -20.365 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.917 -2.701 -21.125 1.00 0.00 H new ATOM 0 HH TYR A 36 1.945 -0.905 -22.410 1.00 0.00 H new ATOM 540 N MET A 37 -1.547 -1.913 -13.987 1.00 0.00 N ATOM 541 CA MET A 37 -2.547 -1.975 -12.925 1.00 0.00 C ATOM 542 C MET A 37 -3.407 -0.728 -12.910 1.00 0.00 C ATOM 543 O MET A 37 -2.952 0.417 -12.991 1.00 0.00 O ATOM 544 CB MET A 37 -1.853 -2.198 -11.553 1.00 0.00 C ATOM 545 CG MET A 37 -0.639 -1.286 -11.264 1.00 0.00 C ATOM 546 SD MET A 37 -0.465 -1.064 -9.486 1.00 0.00 S ATOM 547 CE MET A 37 -2.202 -0.860 -9.074 1.00 0.00 C ATOM 0 H MET A 37 -0.759 -1.296 -13.792 1.00 0.00 H new ATOM 0 HA MET A 37 -3.207 -2.820 -13.119 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.591 -2.051 -10.764 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.527 -3.236 -11.495 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.268 -1.728 -11.677 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.772 -0.320 -11.751 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.291 -0.432 -8.075 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.672 -0.194 -9.797 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.698 -1.830 -9.099 1.00 0.00 H new ATOM 557 N ALA A 38 -4.708 -0.951 -12.829 1.00 0.00 N ATOM 558 CA ALA A 38 -5.713 0.096 -12.654 1.00 0.00 C ATOM 559 C ALA A 38 -6.143 0.148 -11.208 1.00 0.00 C ATOM 560 O ALA A 38 -7.061 -0.588 -10.792 1.00 0.00 O ATOM 561 CB ALA A 38 -6.874 -0.192 -13.627 1.00 0.00 C ATOM 0 H ALA A 38 -5.109 -1.887 -12.884 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.315 1.083 -12.889 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.640 0.576 -13.517 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.500 -0.188 -14.651 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.304 -1.168 -13.402 1.00 0.00 H new ATOM 567 N ALA A 39 -5.543 1.005 -10.404 1.00 0.00 N ATOM 568 CA ALA A 39 -5.757 0.976 -8.958 1.00 0.00 C ATOM 569 C ALA A 39 -5.486 2.305 -8.288 1.00 0.00 C ATOM 570 O ALA A 39 -5.156 3.350 -8.868 1.00 0.00 O ATOM 571 CB ALA A 39 -4.847 -0.139 -8.407 1.00 0.00 C ATOM 0 H ALA A 39 -4.902 1.732 -10.722 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.806 0.776 -8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.967 -0.205 -7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.122 -1.091 -8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.808 0.089 -8.643 1.00 0.00 H new ATOM 577 N LYS A 40 -5.685 2.292 -6.971 1.00 0.00 N ATOM 578 CA LYS A 40 -5.336 3.427 -6.127 1.00 0.00 C ATOM 579 C LYS A 40 -5.445 3.121 -4.646 1.00 0.00 C ATOM 580 O LYS A 40 -5.566 1.988 -4.175 1.00 0.00 O ATOM 581 CB LYS A 40 -6.265 4.620 -6.487 1.00 0.00 C ATOM 582 CG LYS A 40 -7.491 4.334 -7.411 1.00 0.00 C ATOM 583 CD LYS A 40 -8.197 2.976 -7.286 1.00 0.00 C ATOM 584 CE LYS A 40 -9.711 3.186 -7.444 1.00 0.00 C ATOM 585 NZ LYS A 40 -10.128 2.721 -8.780 1.00 0.00 N ATOM 0 H LYS A 40 -6.088 1.503 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.291 3.672 -6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.639 5.046 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.656 5.386 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.233 5.112 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.161 4.443 -8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.830 2.289 -8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.978 2.525 -6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.249 2.638 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.959 4.240 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.152 2.861 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.623 3.263 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.903 1.711 -8.882 1.00 0.00 H new ATOM 599 N ALA A 41 -5.423 4.197 -3.873 1.00 0.00 N ATOM 600 CA ALA A 41 -5.667 4.164 -2.430 1.00 0.00 C ATOM 601 C ALA A 41 -7.076 3.712 -2.101 1.00 0.00 C ATOM 602 O ALA A 41 -7.373 3.292 -0.976 1.00 0.00 O ATOM 603 CB ALA A 41 -5.352 5.560 -1.862 1.00 0.00 C ATOM 0 H ALA A 41 -5.233 5.133 -4.231 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.015 3.426 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.526 5.563 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.309 5.807 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.997 6.300 -2.336 1.00 0.00 H new ATOM 609 N GLY A 42 -7.955 3.765 -3.081 1.00 0.00 N ATOM 610 CA GLY A 42 -9.322 3.250 -2.945 1.00 0.00 C ATOM 611 C GLY A 42 -9.306 1.749 -3.156 1.00 0.00 C ATOM 612 O GLY A 42 -9.156 0.965 -2.214 1.00 0.00 O ATOM 0 H GLY A 42 -7.752 4.164 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.717 3.487 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.978 3.726 -3.674 1.00 0.00 H new ATOM 616 N ARG A 43 -9.410 1.324 -4.401 1.00 0.00 N ATOM 617 CA ARG A 43 -9.563 -0.089 -4.743 1.00 0.00 C ATOM 618 C ARG A 43 -8.640 -0.467 -5.878 1.00 0.00 C ATOM 619 O ARG A 43 -8.593 0.251 -6.905 1.00 0.00 O ATOM 620 CB ARG A 43 -11.044 -0.372 -5.119 1.00 0.00 C ATOM 621 CG ARG A 43 -12.074 -0.046 -4.006 1.00 0.00 C ATOM 622 CD ARG A 43 -13.516 -0.392 -4.396 1.00 0.00 C ATOM 623 NE ARG A 43 -13.540 -1.736 -5.027 1.00 0.00 N ATOM 624 CZ ARG A 43 -13.575 -1.982 -6.329 1.00 0.00 C ATOM 625 NH1 ARG A 43 -13.587 -1.063 -7.249 1.00 0.00 N ATOM 626 NH2 ARG A 43 -13.600 -3.213 -6.701 1.00 0.00 N ATOM 0 H ARG A 43 -9.391 1.945 -5.210 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.293 -0.697 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.295 0.207 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.141 -1.424 -5.387 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.808 -0.594 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.015 1.015 -3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.157 -0.379 -3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.908 0.355 -5.087 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.529 -2.542 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.569 -0.078 -6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.614 -1.327 -8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.593 -3.957 -6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.627 -3.445 -7.694 1.00 0.00 H new ATOM 640 N ILE A 44 -7.917 -1.565 -5.771 1.00 0.00 N ATOM 641 CA ILE A 44 -6.974 -1.949 -6.827 1.00 0.00 C ATOM 642 C ILE A 44 -7.631 -2.785 -7.901 1.00 0.00 C ATOM 643 O ILE A 44 -8.660 -3.434 -7.704 1.00 0.00 O ATOM 644 CB ILE A 44 -5.686 -2.706 -6.282 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.771 -1.914 -5.291 1.00 0.00 C ATOM 646 CG2 ILE A 44 -4.781 -3.214 -7.447 1.00 0.00 C ATOM 647 CD1 ILE A 44 -5.423 -0.714 -4.581 1.00 0.00 C ATOM 0 H ILE A 44 -7.956 -2.206 -4.978 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.645 -1.005 -7.260 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.128 -3.524 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.408 -2.606 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.900 -1.556 -5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.911 -3.726 -7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.346 -3.905 -8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.452 -2.366 -8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.695 -0.243 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.760 0.009 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.276 -1.057 -3.995 1.00 0.00 H new ATOM 659 N SER A 45 -7.007 -2.787 -9.064 1.00 0.00 N ATOM 660 CA SER A 45 -7.331 -3.662 -10.186 1.00 0.00 C ATOM 661 C SER A 45 -6.043 -4.050 -10.886 1.00 0.00 C ATOM 662 O SER A 45 -5.169 -3.161 -11.078 1.00 0.00 O ATOM 663 CB SER A 45 -8.354 -3.023 -11.155 1.00 0.00 C ATOM 664 OG SER A 45 -8.819 -3.935 -12.156 1.00 0.00 O ATOM 0 H SER A 45 -6.230 -2.157 -9.265 1.00 0.00 H new ATOM 0 HA SER A 45 -7.818 -4.561 -9.807 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.206 -2.653 -10.584 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.897 -2.161 -11.641 1.00 0.00 H new ATOM 0 HG SER A 45 -9.463 -3.481 -12.739 1.00 0.00 H new ATOM 670 N PHE A 46 -5.843 -5.280 -11.308 1.00 0.00 N ATOM 671 CA PHE A 46 -4.528 -5.729 -11.783 1.00 0.00 C ATOM 672 C PHE A 46 -4.526 -6.472 -13.105 1.00 0.00 C ATOM 673 O PHE A 46 -5.377 -7.323 -13.380 1.00 0.00 O ATOM 674 CB PHE A 46 -3.947 -6.688 -10.698 1.00 0.00 C ATOM 675 CG PHE A 46 -3.278 -6.006 -9.496 1.00 0.00 C ATOM 676 CD1 PHE A 46 -2.237 -5.090 -9.697 1.00 0.00 C ATOM 677 CD2 PHE A 46 -3.741 -6.233 -8.194 1.00 0.00 C ATOM 678 CE1 PHE A 46 -1.704 -4.380 -8.627 1.00 0.00 C ATOM 679 CE2 PHE A 46 -3.202 -5.527 -7.121 1.00 0.00 C ATOM 680 CZ PHE A 46 -2.223 -4.560 -7.346 1.00 0.00 C ATOM 0 H PHE A 46 -6.568 -5.997 -11.336 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.939 -4.827 -11.949 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.754 -7.322 -10.330 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.217 -7.344 -11.173 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.845 -4.934 -10.691 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.521 -6.960 -8.021 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.889 -3.690 -8.788 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.542 -5.728 -6.116 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.867 -3.951 -6.528 1.00 0.00 H new ATOM 690 N TYR A 47 -3.574 -6.133 -13.958 1.00 0.00 N ATOM 691 CA TYR A 47 -3.310 -6.877 -15.186 1.00 0.00 C ATOM 692 C TYR A 47 -1.911 -6.597 -15.693 1.00 0.00 C ATOM 693 O TYR A 47 -1.629 -5.449 -16.102 1.00 0.00 O ATOM 694 CB TYR A 47 -4.311 -6.481 -16.308 1.00 0.00 C ATOM 695 CG TYR A 47 -4.594 -4.984 -16.492 1.00 0.00 C ATOM 696 CD1 TYR A 47 -5.305 -4.266 -15.527 1.00 0.00 C ATOM 697 CD2 TYR A 47 -4.144 -4.332 -17.645 1.00 0.00 C ATOM 698 CE1 TYR A 47 -5.604 -2.921 -15.737 1.00 0.00 C ATOM 699 CE2 TYR A 47 -4.476 -2.999 -17.869 1.00 0.00 C ATOM 700 CZ TYR A 47 -5.216 -2.298 -16.920 1.00 0.00 C ATOM 701 OH TYR A 47 -5.561 -0.996 -17.148 1.00 0.00 O ATOM 0 H TYR A 47 -2.958 -5.332 -13.821 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.421 -7.935 -14.946 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.934 -6.873 -17.252 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.258 -6.983 -16.110 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.623 -4.754 -14.617 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.538 -4.864 -18.363 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.137 -2.362 -14.982 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.160 -2.509 -18.778 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.212 -0.713 -18.019 1.00 0.00 H new ATOM 711 N LYS A 48 -1.002 -7.556 -15.704 1.00 0.00 N ATOM 712 CA LYS A 48 0.369 -7.306 -16.167 1.00 0.00 C ATOM 713 C LYS A 48 0.356 -6.686 -17.546 1.00 0.00 C ATOM 714 O LYS A 48 1.179 -5.839 -17.909 1.00 0.00 O ATOM 715 CB LYS A 48 1.198 -8.619 -16.163 1.00 0.00 C ATOM 716 CG LYS A 48 2.679 -8.397 -16.577 1.00 0.00 C ATOM 717 CD LYS A 48 3.344 -9.569 -17.302 1.00 0.00 C ATOM 718 CE LYS A 48 4.751 -9.786 -16.728 1.00 0.00 C ATOM 719 NZ LYS A 48 5.607 -8.637 -17.071 1.00 0.00 N ATOM 0 H LYS A 48 -1.178 -8.514 -15.401 1.00 0.00 H new ATOM 0 HA LYS A 48 0.842 -6.605 -15.479 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.166 -9.060 -15.167 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.739 -9.335 -16.844 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.730 -7.519 -17.220 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.258 -8.171 -15.682 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.746 -10.473 -17.182 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.402 -9.365 -18.371 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.699 -9.903 -15.646 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.180 -10.705 -17.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.597 -8.863 -16.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.519 -8.429 -18.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.310 -7.806 -16.521 1.00 0.00 H new ATOM 733 N ASP A 49 -0.622 -7.101 -18.337 1.00 0.00 N ATOM 734 CA ASP A 49 -0.887 -6.511 -19.644 1.00 0.00 C ATOM 735 C ASP A 49 -2.154 -7.095 -20.237 1.00 0.00 C ATOM 736 O ASP A 49 -3.241 -6.935 -19.623 1.00 0.00 O ATOM 737 CB ASP A 49 0.355 -6.667 -20.564 1.00 0.00 C ATOM 738 CG ASP A 49 0.995 -8.059 -20.661 1.00 0.00 C ATOM 739 OD1 ASP A 49 0.459 -9.073 -20.239 1.00 0.00 O ATOM 740 OD2 ASP A 49 2.211 -8.039 -21.289 1.00 0.00 O ATOM 0 H ASP A 49 -1.258 -7.860 -18.091 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.062 -5.440 -19.539 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.070 -6.357 -21.569 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.118 -5.969 -20.220 1.00 0.00 H new ATOM 745 N GLN A 50 -2.118 -7.761 -21.373 1.00 0.00 N ATOM 746 CA GLN A 50 -3.320 -8.370 -21.950 1.00 0.00 C ATOM 747 C GLN A 50 -3.518 -9.790 -21.473 1.00 0.00 C ATOM 748 O GLN A 50 -4.626 -10.204 -21.120 1.00 0.00 O ATOM 749 CB GLN A 50 -3.194 -8.325 -23.489 1.00 0.00 C ATOM 750 CG GLN A 50 -1.855 -8.862 -24.094 1.00 0.00 C ATOM 751 CD GLN A 50 -1.449 -8.433 -25.509 1.00 0.00 C ATOM 752 OE1 GLN A 50 -1.452 -9.227 -26.436 1.00 0.00 O ATOM 753 NE2 GLN A 50 -1.081 -7.197 -25.737 1.00 0.00 N ATOM 0 H GLN A 50 -1.271 -7.900 -21.924 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.195 -7.808 -21.624 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.016 -8.899 -23.916 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.325 -7.292 -23.812 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.050 -8.571 -23.419 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.903 -9.951 -24.082 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.072 -6.519 -24.975 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.803 -6.913 -26.676 1.00 0.00 H new ATOM 762 N LYS A 51 -2.446 -10.549 -21.426 1.00 0.00 N ATOM 763 CA LYS A 51 -2.398 -11.990 -21.163 1.00 0.00 C ATOM 764 C LYS A 51 -3.655 -12.579 -20.553 1.00 0.00 C ATOM 765 O LYS A 51 -4.384 -13.372 -21.159 1.00 0.00 O ATOM 766 CB LYS A 51 -1.183 -12.257 -20.221 1.00 0.00 C ATOM 767 CG LYS A 51 -1.094 -11.322 -18.989 1.00 0.00 C ATOM 768 CD LYS A 51 -1.524 -11.957 -17.664 1.00 0.00 C ATOM 769 CE LYS A 51 -0.913 -13.359 -17.535 1.00 0.00 C ATOM 770 NZ LYS A 51 0.522 -13.299 -17.864 1.00 0.00 N ATOM 0 H LYS A 51 -1.516 -10.160 -21.580 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.301 -12.485 -22.129 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.232 -13.289 -19.873 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.265 -12.159 -20.800 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.066 -10.972 -18.891 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.714 -10.444 -19.172 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.203 -11.333 -16.830 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.611 -12.019 -17.616 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.050 -13.735 -16.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.422 -14.053 -18.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.029 -14.041 -17.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.650 -13.445 -18.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.901 -12.368 -17.597 1.00 0.00 H new ATOM 784 N GLY A 52 -3.937 -12.166 -19.330 1.00 0.00 N ATOM 785 CA GLY A 52 -5.025 -12.746 -18.532 1.00 0.00 C ATOM 786 C GLY A 52 -6.346 -12.186 -19.035 1.00 0.00 C ATOM 787 O GLY A 52 -7.332 -12.893 -19.260 1.00 0.00 O ATOM 0 H GLY A 52 -3.426 -11.422 -18.855 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.018 -13.833 -18.616 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.890 -12.507 -17.477 1.00 0.00 H new ATOM 791 N TYR A 53 -6.358 -10.871 -19.189 1.00 0.00 N ATOM 792 CA TYR A 53 -7.469 -10.174 -19.827 1.00 0.00 C ATOM 793 C TYR A 53 -7.673 -10.652 -21.251 1.00 0.00 C ATOM 794 O TYR A 53 -8.714 -10.364 -21.873 1.00 0.00 O ATOM 795 CB TYR A 53 -7.207 -8.638 -19.865 1.00 0.00 C ATOM 796 CG TYR A 53 -7.522 -7.847 -18.587 1.00 0.00 C ATOM 797 CD1 TYR A 53 -8.233 -8.447 -17.542 1.00 0.00 C ATOM 798 CD2 TYR A 53 -7.091 -6.524 -18.462 1.00 0.00 C ATOM 799 CE1 TYR A 53 -8.514 -7.722 -16.387 1.00 0.00 C ATOM 800 CE2 TYR A 53 -7.316 -5.825 -17.279 1.00 0.00 C ATOM 801 CZ TYR A 53 -8.021 -6.429 -16.241 1.00 0.00 C ATOM 802 OH TYR A 53 -8.237 -5.748 -15.075 1.00 0.00 O ATOM 0 H TYR A 53 -5.604 -10.258 -18.878 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.360 -10.389 -19.237 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.157 -8.479 -20.112 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.794 -8.214 -20.680 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -8.563 -9.471 -17.631 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.582 -6.043 -19.284 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.114 -8.163 -15.605 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.945 -4.817 -17.167 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.498 -5.123 -14.920 1.00 0.00 H new ATOM 812 N LYS A 54 -6.719 -11.363 -21.821 1.00 0.00 N ATOM 813 CA LYS A 54 -6.790 -11.873 -23.192 1.00 0.00 C ATOM 814 C LYS A 54 -7.668 -13.098 -23.266 1.00 0.00 C ATOM 815 O LYS A 54 -8.640 -13.163 -24.028 1.00 0.00 O ATOM 816 CB LYS A 54 -5.356 -12.184 -23.701 1.00 0.00 C ATOM 817 CG LYS A 54 -5.118 -11.892 -25.202 1.00 0.00 C ATOM 818 CD LYS A 54 -6.196 -12.402 -26.161 1.00 0.00 C ATOM 819 CE LYS A 54 -5.636 -12.406 -27.591 1.00 0.00 C ATOM 820 NZ LYS A 54 -5.391 -13.794 -28.021 1.00 0.00 N ATOM 0 H LYS A 54 -5.854 -11.611 -21.342 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.237 -11.113 -23.833 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.644 -11.602 -23.116 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.139 -13.235 -23.512 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.024 -10.814 -25.332 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.164 -12.333 -25.491 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.507 -13.407 -25.876 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.080 -11.767 -26.105 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.339 -11.923 -28.269 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.710 -11.833 -27.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.012 -13.796 -28.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.705 -14.240 -27.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.284 -14.327 -27.998 1.00 0.00 H new ATOM 834 N SER A 55 -7.342 -14.098 -22.465 1.00 0.00 N ATOM 835 CA SER A 55 -8.092 -15.352 -22.462 1.00 0.00 C ATOM 836 C SER A 55 -9.302 -15.258 -21.562 1.00 0.00 C ATOM 837 O SER A 55 -10.452 -15.385 -21.998 1.00 0.00 O ATOM 838 CB SER A 55 -7.182 -16.542 -22.068 1.00 0.00 C ATOM 839 OG SER A 55 -7.451 -17.723 -22.832 1.00 0.00 O ATOM 0 H SER A 55 -6.563 -14.070 -21.807 1.00 0.00 H new ATOM 0 HA SER A 55 -8.450 -15.534 -23.475 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.139 -16.256 -22.204 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.317 -16.761 -21.009 1.00 0.00 H new ATOM 0 HG SER A 55 -6.850 -18.442 -22.546 1.00 0.00 H new ATOM 845 N ASN A 56 -9.060 -15.053 -20.280 1.00 0.00 N ATOM 846 CA ASN A 56 -10.129 -15.010 -19.286 1.00 0.00 C ATOM 847 C ASN A 56 -10.084 -13.719 -18.503 1.00 0.00 C ATOM 848 O ASN A 56 -9.322 -13.577 -17.545 1.00 0.00 O ATOM 849 CB ASN A 56 -10.005 -16.234 -18.332 1.00 0.00 C ATOM 850 CG ASN A 56 -9.739 -17.598 -18.978 1.00 0.00 C ATOM 851 OD1 ASN A 56 -8.689 -17.860 -19.547 1.00 0.00 O ATOM 852 ND2 ASN A 56 -10.660 -18.520 -18.897 1.00 0.00 N ATOM 0 H ASN A 56 -8.126 -14.912 -19.896 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.089 -15.054 -19.800 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.200 -16.032 -17.625 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.926 -16.307 -17.754 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.497 -19.441 -19.305 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.542 -18.320 -18.426 1.00 0.00 H new ATOM 859 N PRO A 57 -10.895 -12.754 -18.896 1.00 0.00 N ATOM 860 CA PRO A 57 -10.990 -11.353 -18.294 1.00 0.00 C ATOM 861 C PRO A 57 -11.061 -11.314 -16.786 1.00 0.00 C ATOM 862 O PRO A 57 -10.510 -10.425 -16.128 1.00 0.00 O ATOM 863 CB PRO A 57 -12.265 -10.738 -18.850 1.00 0.00 C ATOM 864 CG PRO A 57 -12.337 -11.387 -20.241 1.00 0.00 C ATOM 865 CD PRO A 57 -11.880 -12.829 -20.001 1.00 0.00 C ATOM 0 HA PRO A 57 -10.080 -10.815 -18.558 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.136 -10.978 -18.240 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.205 -9.651 -18.907 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.348 -11.351 -20.646 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.689 -10.876 -20.954 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -12.722 -13.468 -19.734 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.431 -13.253 -20.899 1.00 0.00 H new ATOM 873 N GLU A 58 -11.749 -12.284 -16.213 1.00 0.00 N ATOM 874 CA GLU A 58 -11.982 -12.316 -14.772 1.00 0.00 C ATOM 875 C GLU A 58 -10.727 -12.713 -14.031 1.00 0.00 C ATOM 876 O GLU A 58 -10.447 -12.242 -12.923 1.00 0.00 O ATOM 877 CB GLU A 58 -13.149 -13.303 -14.483 1.00 0.00 C ATOM 878 CG GLU A 58 -12.796 -14.823 -14.370 1.00 0.00 C ATOM 879 CD GLU A 58 -12.285 -15.547 -15.618 1.00 0.00 C ATOM 880 OE1 GLU A 58 -12.803 -15.420 -16.720 1.00 0.00 O ATOM 881 OE2 GLU A 58 -11.206 -16.344 -15.386 1.00 0.00 O ATOM 0 H GLU A 58 -12.160 -13.066 -16.722 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.255 -11.321 -14.419 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.625 -12.998 -13.551 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.891 -13.188 -15.273 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.041 -14.931 -13.591 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.688 -15.346 -14.025 1.00 0.00 H new ATOM 888 N LEU A 59 -9.940 -13.578 -14.644 1.00 0.00 N ATOM 889 CA LEU A 59 -8.628 -13.946 -14.116 1.00 0.00 C ATOM 890 C LEU A 59 -7.523 -13.277 -14.899 1.00 0.00 C ATOM 891 O LEU A 59 -7.093 -13.755 -15.957 1.00 0.00 O ATOM 892 CB LEU A 59 -8.450 -15.491 -14.117 1.00 0.00 C ATOM 893 CG LEU A 59 -9.233 -16.319 -13.063 1.00 0.00 C ATOM 894 CD1 LEU A 59 -9.170 -17.833 -13.330 1.00 0.00 C ATOM 895 CD2 LEU A 59 -8.700 -16.020 -11.655 1.00 0.00 C ATOM 0 H LEU A 59 -10.185 -14.046 -15.517 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.567 -13.596 -13.085 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.730 -15.858 -15.104 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.389 -15.704 -13.987 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.278 -16.019 -13.139 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.735 -18.362 -12.562 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.599 -18.048 -14.309 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.131 -18.163 -13.309 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.256 -16.606 -10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.643 -16.283 -11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.821 -14.959 -11.438 1.00 0.00 H new ATOM 907 N THR A 60 -7.056 -12.145 -14.406 1.00 0.00 N ATOM 908 CA THR A 60 -5.919 -11.451 -15.007 1.00 0.00 C ATOM 909 C THR A 60 -4.637 -12.211 -14.765 1.00 0.00 C ATOM 910 O THR A 60 -4.648 -13.430 -14.530 1.00 0.00 O ATOM 911 CB THR A 60 -5.818 -9.988 -14.457 1.00 0.00 C ATOM 912 OG1 THR A 60 -5.302 -9.973 -13.136 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.151 -9.213 -14.350 1.00 0.00 C ATOM 0 H THR A 60 -7.445 -11.680 -13.586 1.00 0.00 H new ATOM 0 HA THR A 60 -6.077 -11.399 -16.084 1.00 0.00 H new ATOM 0 HB THR A 60 -5.177 -9.508 -15.196 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.209 -9.046 -12.832 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.961 -8.214 -13.958 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.607 -9.135 -15.337 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.827 -9.743 -13.679 1.00 0.00 H new ATOM 921 N PHE A 61 -3.511 -11.523 -14.839 1.00 0.00 N ATOM 922 CA PHE A 61 -2.222 -12.154 -14.552 1.00 0.00 C ATOM 923 C PHE A 61 -2.110 -12.513 -13.085 1.00 0.00 C ATOM 924 O PHE A 61 -3.018 -12.223 -12.273 1.00 0.00 O ATOM 925 CB PHE A 61 -1.061 -11.198 -14.959 1.00 0.00 C ATOM 926 CG PHE A 61 -0.269 -10.493 -13.852 1.00 0.00 C ATOM 927 CD1 PHE A 61 -0.808 -9.365 -13.223 1.00 0.00 C ATOM 928 CD2 PHE A 61 1.012 -10.930 -13.501 1.00 0.00 C ATOM 929 CE1 PHE A 61 -0.064 -8.664 -12.281 1.00 0.00 C ATOM 930 CE2 PHE A 61 1.757 -10.227 -12.558 1.00 0.00 C ATOM 931 CZ PHE A 61 1.207 -9.111 -11.928 1.00 0.00 C ATOM 0 H PHE A 61 -3.456 -10.536 -15.092 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.152 -13.073 -15.134 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.354 -11.772 -15.558 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.478 -10.429 -15.609 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.807 -9.038 -13.471 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.425 -11.815 -13.962 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.471 -7.774 -11.824 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.760 -10.546 -12.315 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.768 -8.592 -11.165 1.00 0.00 H new ATOM 941 N ARG A 62 -1.017 -13.126 -12.667 1.00 0.00 N ATOM 942 CA ARG A 62 -0.897 -13.663 -11.309 1.00 0.00 C ATOM 943 C ARG A 62 -0.687 -12.599 -10.262 1.00 0.00 C ATOM 944 O ARG A 62 -0.574 -12.930 -9.055 1.00 0.00 O ATOM 945 CB ARG A 62 0.267 -14.692 -11.297 1.00 0.00 C ATOM 946 CG ARG A 62 0.112 -15.851 -10.276 1.00 0.00 C ATOM 947 CD ARG A 62 1.464 -16.455 -9.870 1.00 0.00 C ATOM 948 NE ARG A 62 1.210 -17.663 -9.044 1.00 0.00 N ATOM 949 CZ ARG A 62 0.779 -17.661 -7.790 1.00 0.00 C ATOM 950 NH1 ARG A 62 0.560 -16.587 -7.091 1.00 0.00 N ATOM 951 NH2 ARG A 62 0.566 -18.801 -7.234 1.00 0.00 N ATOM 0 H ARG A 62 -0.191 -13.269 -13.248 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.840 -14.142 -11.046 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.364 -15.119 -12.295 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.196 -14.163 -11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.401 -15.483 -9.387 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.517 -16.630 -10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.044 -16.716 -10.755 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.050 -15.728 -9.308 1.00 0.00 H new ATOM 0 HE ARG A 62 1.381 -18.570 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.720 -15.668 -7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.228 -16.663 -6.130 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.729 -19.662 -7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.234 -18.844 -6.271 1.00 0.00 H new ATOM 965 N GLY A 63 -0.635 -11.334 -10.607 1.00 0.00 N ATOM 966 CA GLY A 63 -0.737 -10.223 -9.636 1.00 0.00 C ATOM 967 C GLY A 63 -2.237 -9.833 -9.637 1.00 0.00 C ATOM 968 O GLY A 63 -2.654 -8.694 -9.442 1.00 0.00 O ATOM 0 H GLY A 63 -0.520 -11.024 -11.572 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.410 -10.534 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.109 -9.382 -9.930 1.00 0.00 H new ATOM 972 N GLU A 64 -3.066 -10.841 -9.831 1.00 0.00 N ATOM 973 CA GLU A 64 -4.492 -10.821 -10.154 1.00 0.00 C ATOM 974 C GLU A 64 -5.356 -9.769 -9.462 1.00 0.00 C ATOM 975 O GLU A 64 -5.056 -9.071 -8.502 1.00 0.00 O ATOM 976 CB GLU A 64 -5.056 -12.250 -9.851 1.00 0.00 C ATOM 977 CG GLU A 64 -4.349 -13.093 -8.736 1.00 0.00 C ATOM 978 CD GLU A 64 -4.983 -13.125 -7.344 1.00 0.00 C ATOM 979 OE1 GLU A 64 -6.335 -13.292 -7.362 1.00 0.00 O ATOM 980 OE2 GLU A 64 -4.335 -13.011 -6.312 1.00 0.00 O ATOM 0 H GLU A 64 -2.726 -11.800 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.552 -10.534 -11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.106 -12.144 -9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.025 -12.825 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.275 -14.121 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.331 -12.718 -8.630 1.00 0.00 H new ATOM 987 N PRO A 65 -6.557 -9.668 -10.000 1.00 0.00 N ATOM 988 CA PRO A 65 -7.739 -8.690 -9.760 1.00 0.00 C ATOM 989 C PRO A 65 -7.632 -7.578 -8.737 1.00 0.00 C ATOM 990 O PRO A 65 -6.681 -6.754 -8.852 1.00 0.00 O ATOM 991 CB PRO A 65 -8.856 -9.663 -9.397 1.00 0.00 C ATOM 992 CG PRO A 65 -8.618 -10.746 -10.494 1.00 0.00 C ATOM 993 CD PRO A 65 -7.195 -10.533 -11.079 1.00 0.00 C ATOM 0 HA PRO A 65 -7.855 -8.067 -10.646 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.754 -10.060 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.845 -9.209 -9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.709 -11.745 -10.069 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.369 -10.664 -11.280 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.663 -11.474 -11.220 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.219 -10.032 -12.047 1.00 0.00 H new ATOM 1001 N SER A 66 -8.509 -7.435 -7.769 1.00 0.00 N ATOM 1002 CA SER A 66 -8.594 -6.221 -6.951 1.00 0.00 C ATOM 1003 C SER A 66 -8.200 -6.351 -5.487 1.00 0.00 C ATOM 1004 O SER A 66 -7.981 -7.405 -4.889 1.00 0.00 O ATOM 1005 CB SER A 66 -10.046 -5.664 -7.044 1.00 0.00 C ATOM 1006 OG SER A 66 -11.023 -6.625 -6.633 1.00 0.00 O ATOM 0 H SER A 66 -9.190 -8.152 -7.517 1.00 0.00 H new ATOM 0 HA SER A 66 -7.847 -5.546 -7.369 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.132 -4.773 -6.422 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.250 -5.357 -8.070 1.00 0.00 H new ATOM 0 HG SER A 66 -11.918 -6.233 -6.706 1.00 0.00 H new ATOM 1012 N TYR A 67 -8.132 -5.175 -4.863 1.00 0.00 N ATOM 1013 CA TYR A 67 -7.937 -5.010 -3.422 1.00 0.00 C ATOM 1014 C TYR A 67 -8.840 -3.916 -2.901 1.00 0.00 C ATOM 1015 O TYR A 67 -8.699 -2.743 -3.264 1.00 0.00 O ATOM 1016 CB TYR A 67 -6.468 -4.628 -3.066 1.00 0.00 C ATOM 1017 CG TYR A 67 -5.518 -5.791 -2.759 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -4.829 -6.452 -3.778 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -5.331 -6.190 -1.427 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -3.899 -7.441 -3.464 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -4.402 -7.179 -1.117 1.00 0.00 C ATOM 1022 CZ TYR A 67 -3.671 -7.786 -2.135 1.00 0.00 C ATOM 1023 OH TYR A 67 -2.729 -8.729 -1.830 1.00 0.00 O ATOM 0 H TYR A 67 -8.213 -4.287 -5.359 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.174 -5.969 -2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.052 -4.057 -3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.487 -3.965 -2.201 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.017 -6.196 -4.810 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.909 -5.729 -0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.355 -7.940 -4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.249 -7.475 -0.090 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.693 -8.853 -0.859 1.00 0.00 H new ATOM 1033 N ASP A 68 -9.799 -4.277 -2.068 1.00 0.00 N ATOM 1034 CA ASP A 68 -10.631 -3.283 -1.392 1.00 0.00 C ATOM 1035 C ASP A 68 -9.884 -2.686 -0.220 1.00 0.00 C ATOM 1036 O ASP A 68 -9.671 -3.318 0.820 1.00 0.00 O ATOM 1037 CB ASP A 68 -11.992 -3.896 -0.970 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.164 -2.919 -0.796 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -13.213 -2.091 0.102 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -14.123 -3.063 -1.759 1.00 0.00 O ATOM 0 H ASP A 68 -10.025 -5.245 -1.840 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.852 -2.473 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.276 -4.639 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.849 -4.427 -0.029 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.469 -1.441 -0.386 1.00 0.00 N ATOM 1046 CA LEU A 69 -8.600 -0.770 0.573 1.00 0.00 C ATOM 1047 C LEU A 69 -9.128 0.582 1.011 1.00 0.00 C ATOM 1048 O LEU A 69 -8.735 0.999 2.117 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.166 -0.581 -0.015 1.00 0.00 C ATOM 1050 CG LEU A 69 -6.552 -1.695 -0.900 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -5.360 -1.196 -1.737 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -6.117 -2.890 -0.039 1.00 0.00 C ATOM 0 H LEU A 69 -9.724 -0.865 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.570 -1.419 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.172 0.337 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.488 -0.418 0.823 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.332 -2.008 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.968 -2.017 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.688 -0.390 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.578 -0.827 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.688 -3.662 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.371 -2.564 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.982 -3.294 0.487 1.00 0.00 H new ATOM 1064 N GLN A 70 -9.980 1.263 0.283 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.314 2.673 0.465 1.00 0.00 C ATOM 1066 C GLN A 70 -10.229 3.140 1.905 1.00 0.00 C ATOM 1067 O GLN A 70 -11.226 3.356 2.596 1.00 0.00 O ATOM 1068 CB GLN A 70 -11.734 2.930 -0.096 1.00 0.00 C ATOM 1069 CG GLN A 70 -11.925 4.446 -0.526 1.00 0.00 C ATOM 1070 CD GLN A 70 -13.271 4.943 -1.043 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -13.388 6.055 -1.538 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -14.339 4.189 -0.939 1.00 0.00 N ATOM 0 H GLN A 70 -10.489 0.837 -0.492 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.569 3.252 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.910 2.282 -0.955 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.477 2.668 0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.666 5.060 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.186 4.656 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.268 3.257 -0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.241 4.534 -1.267 1.00 0.00 H new ATOM 1081 N ASN A 71 -8.999 3.339 2.351 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.686 3.624 3.745 1.00 0.00 C ATOM 1083 C ASN A 71 -7.192 3.767 3.940 1.00 0.00 C ATOM 1084 O ASN A 71 -6.698 4.761 4.481 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.257 2.495 4.655 1.00 0.00 C ATOM 1086 CG ASN A 71 -10.587 2.794 5.364 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -11.678 2.257 4.890 1.00 0.00 O flip ATOM 1088 ND2 ASN A 71 -10.664 3.530 6.336 1.00 0.00 N flip ATOM 0 H ASN A 71 -8.177 3.307 1.747 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.151 4.569 4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.388 1.600 4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.511 2.258 5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.821 3.958 6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.571 3.716 6.764 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.455 2.754 3.526 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.007 2.641 3.713 1.00 0.00 C ATOM 1097 C ALA A 72 -4.293 3.971 3.607 1.00 0.00 C ATOM 1098 O ALA A 72 -4.406 4.698 2.616 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.496 1.628 2.669 1.00 0.00 C ATOM 0 H ALA A 72 -6.854 1.956 3.032 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.793 2.295 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.417 1.512 2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.981 0.665 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.728 1.990 1.667 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.519 4.291 4.630 1.00 0.00 N ATOM 1106 CA ALA A 73 -2.792 5.554 4.719 1.00 0.00 C ATOM 1107 C ALA A 73 -1.830 5.712 3.564 1.00 0.00 C ATOM 1108 O ALA A 73 -1.745 4.866 2.666 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.085 5.596 6.086 1.00 0.00 C ATOM 0 H ALA A 73 -3.374 3.678 5.432 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.479 6.397 4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.532 6.531 6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.827 5.531 6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.394 4.756 6.164 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.067 6.789 3.582 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.200 7.138 2.460 1.00 0.00 C ATOM 1117 C ILE A 74 1.065 7.824 2.925 1.00 0.00 C ATOM 1118 O ILE A 74 1.097 8.531 3.938 1.00 0.00 O ATOM 1119 CB ILE A 74 -0.977 8.008 1.390 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -1.859 7.181 0.401 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -0.033 8.925 0.552 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -2.754 7.995 -0.555 1.00 0.00 C ATOM 0 H ILE A 74 -1.027 7.444 4.363 1.00 0.00 H new ATOM 0 HA ILE A 74 0.101 6.210 1.974 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.638 8.619 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.203 6.550 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.496 6.516 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.623 9.497 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.494 9.610 1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.691 8.310 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.319 7.315 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.445 8.606 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.132 8.641 -1.175 1.00 0.00 H new ATOM 1134 N GLU A 75 2.129 7.635 2.163 1.00 0.00 N ATOM 1135 CA GLU A 75 3.389 8.336 2.391 1.00 0.00 C ATOM 1136 C GLU A 75 4.342 8.126 1.237 1.00 0.00 C ATOM 1137 O GLU A 75 4.019 7.485 0.231 1.00 0.00 O ATOM 1138 CB GLU A 75 4.006 7.832 3.726 1.00 0.00 C ATOM 1139 CG GLU A 75 3.405 6.541 4.373 1.00 0.00 C ATOM 1140 CD GLU A 75 2.590 6.686 5.661 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.953 7.756 6.422 1.00 0.00 O ATOM 1142 OE2 GLU A 75 1.697 5.911 5.974 1.00 0.00 O ATOM 0 H GLU A 75 2.148 6.994 1.370 1.00 0.00 H new ATOM 0 HA GLU A 75 3.202 9.408 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.069 7.657 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.927 8.638 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.769 6.062 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.229 5.857 4.576 1.00 0.00 H new ATOM 1149 N ILE A 76 5.545 8.650 1.376 1.00 0.00 N ATOM 1150 CA ILE A 76 6.624 8.422 0.420 1.00 0.00 C ATOM 1151 C ILE A 76 7.657 7.480 0.993 1.00 0.00 C ATOM 1152 O ILE A 76 7.892 7.439 2.210 1.00 0.00 O ATOM 1153 CB ILE A 76 7.270 9.787 -0.054 1.00 0.00 C ATOM 1154 CG1 ILE A 76 6.249 10.954 -0.254 1.00 0.00 C ATOM 1155 CG2 ILE A 76 8.102 9.641 -1.365 1.00 0.00 C ATOM 1156 CD1 ILE A 76 6.748 12.152 -1.087 1.00 0.00 C ATOM 0 H ILE A 76 5.808 9.250 2.158 1.00 0.00 H new ATOM 0 HA ILE A 76 6.200 7.946 -0.464 1.00 0.00 H new ATOM 0 HB ILE A 76 7.925 10.047 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.356 10.551 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.948 11.319 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.520 10.609 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.911 8.929 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.457 9.283 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.958 12.899 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.620 12.592 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.019 11.812 -2.087 1.00 0.00 H new ATOM 1168 N ALA A 77 8.311 6.717 0.137 1.00 0.00 N ATOM 1169 CA ALA A 77 9.263 5.699 0.579 1.00 0.00 C ATOM 1170 C ALA A 77 10.330 6.295 1.469 1.00 0.00 C ATOM 1171 O ALA A 77 10.847 7.391 1.226 1.00 0.00 O ATOM 1172 CB ALA A 77 9.845 5.028 -0.677 1.00 0.00 C ATOM 0 H ALA A 77 8.204 6.779 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 77 8.765 4.946 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.561 4.261 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.040 4.570 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.347 5.777 -1.290 1.00 0.00 H new ATOM 1236 N LYS A 82 17.018 4.536 -4.988 1.00 0.00 N ATOM 1237 CA LYS A 82 16.584 5.109 -6.263 1.00 0.00 C ATOM 1238 C LYS A 82 15.104 4.864 -6.469 1.00 0.00 C ATOM 1239 O LYS A 82 14.608 4.604 -7.570 1.00 0.00 O ATOM 1240 CB LYS A 82 17.445 4.511 -7.409 1.00 0.00 C ATOM 1241 CG LYS A 82 18.969 4.605 -7.120 1.00 0.00 C ATOM 1242 CD LYS A 82 19.805 3.447 -7.667 1.00 0.00 C ATOM 1243 CE LYS A 82 20.626 3.938 -8.868 1.00 0.00 C ATOM 1244 NZ LYS A 82 21.875 4.558 -8.391 1.00 0.00 N ATOM 0 HA LYS A 82 16.730 6.189 -6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.171 3.467 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.222 5.035 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.346 5.536 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.116 4.661 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.468 3.063 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.156 2.625 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.852 3.104 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.048 4.659 -9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.431 4.890 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.649 5.364 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.428 3.858 -7.857 1.00 0.00 H new ATOM 1258 N LYS A 83 14.365 4.973 -5.381 1.00 0.00 N ATOM 1259 CA LYS A 83 12.908 4.930 -5.374 1.00 0.00 C ATOM 1260 C LYS A 83 12.315 6.235 -4.898 1.00 0.00 C ATOM 1261 O LYS A 83 11.087 6.392 -4.822 1.00 0.00 O ATOM 1262 CB LYS A 83 12.436 3.768 -4.455 1.00 0.00 C ATOM 1263 CG LYS A 83 13.041 2.385 -4.807 1.00 0.00 C ATOM 1264 CD LYS A 83 12.830 1.313 -3.731 1.00 0.00 C ATOM 1265 CE LYS A 83 13.542 0.019 -4.145 1.00 0.00 C ATOM 1266 NZ LYS A 83 14.162 -0.598 -2.959 1.00 0.00 N ATOM 0 H LYS A 83 14.768 5.097 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 83 12.564 4.764 -6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.691 4.010 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.349 3.699 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.602 2.036 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.110 2.503 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.218 1.663 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.765 1.126 -3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.831 -0.672 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.302 0.233 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.646 -1.476 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.852 0.061 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.427 -0.815 -2.256 1.00 0.00 H new ATOM 1280 N LYS A 84 13.140 7.228 -4.583 1.00 0.00 N ATOM 1281 CA LYS A 84 12.639 8.576 -4.249 1.00 0.00 C ATOM 1282 C LYS A 84 11.805 9.254 -5.328 1.00 0.00 C ATOM 1283 O LYS A 84 11.345 10.390 -5.205 1.00 0.00 O ATOM 1284 CB LYS A 84 13.861 9.470 -3.895 1.00 0.00 C ATOM 1285 CG LYS A 84 13.599 10.518 -2.790 1.00 0.00 C ATOM 1286 CD LYS A 84 13.797 11.976 -3.223 1.00 0.00 C ATOM 1287 CE LYS A 84 15.221 12.152 -3.768 1.00 0.00 C ATOM 1288 NZ LYS A 84 15.596 13.576 -3.704 1.00 0.00 N ATOM 0 H LYS A 84 14.155 7.136 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 84 11.954 8.449 -3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.684 8.828 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.188 9.988 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.578 10.397 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.261 10.311 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.067 12.243 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.633 12.644 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.922 11.553 -3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.275 11.796 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.561 13.698 -4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.933 14.136 -4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.559 13.901 -2.717 1.00 0.00 H new ATOM 1302 N HIS A 85 11.591 8.521 -6.400 1.00 0.00 N ATOM 1303 CA HIS A 85 10.675 8.870 -7.477 1.00 0.00 C ATOM 1304 C HIS A 85 9.417 8.030 -7.372 1.00 0.00 C ATOM 1305 O HIS A 85 8.892 7.506 -8.359 1.00 0.00 O ATOM 1306 CB HIS A 85 11.438 8.581 -8.783 1.00 0.00 C ATOM 1307 CG HIS A 85 12.853 9.087 -8.739 1.00 0.00 C ATOM 1308 ND1 HIS A 85 13.900 8.389 -8.155 1.00 0.00 N flip ATOM 1309 CD2 HIS A 85 13.285 10.303 -9.270 1.00 0.00 C flip ATOM 1310 CE1 HIS A 85 15.041 9.139 -8.297 1.00 0.00 C flip ATOM 1311 NE2 HIS A 85 14.593 10.240 -8.958 1.00 0.00 N flip ATOM 0 H HIS A 85 12.066 7.632 -6.556 1.00 0.00 H new ATOM 0 HA HIS A 85 10.362 9.913 -7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.444 7.507 -8.968 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.914 9.045 -9.618 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.729 11.074 -9.784 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.044 8.912 -7.966 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.230 10.996 -9.210 1.00 0.00 H new ATOM 1319 N VAL A 86 8.929 7.868 -6.148 1.00 0.00 N ATOM 1320 CA VAL A 86 7.819 6.961 -5.859 1.00 0.00 C ATOM 1321 C VAL A 86 6.799 7.559 -4.907 1.00 0.00 C ATOM 1322 O VAL A 86 6.941 8.642 -4.333 1.00 0.00 O ATOM 1323 CB VAL A 86 8.382 5.614 -5.253 1.00 0.00 C ATOM 1324 CG1 VAL A 86 8.723 5.638 -3.735 1.00 0.00 C ATOM 1325 CG2 VAL A 86 7.446 4.395 -5.438 1.00 0.00 C ATOM 0 H VAL A 86 9.288 8.358 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 86 7.305 6.773 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 86 9.297 5.515 -5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.100 4.661 -3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.483 6.396 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.825 5.874 -3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.906 3.512 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.492 4.591 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.280 4.222 -6.501 1.00 0.00 H new ATOM 1335 N LEU A 87 5.725 6.807 -4.709 1.00 0.00 N ATOM 1336 CA LEU A 87 4.683 7.097 -3.729 1.00 0.00 C ATOM 1337 C LEU A 87 4.034 5.818 -3.242 1.00 0.00 C ATOM 1338 O LEU A 87 4.266 4.734 -3.819 1.00 0.00 O ATOM 1339 CB LEU A 87 3.627 8.067 -4.329 1.00 0.00 C ATOM 1340 CG LEU A 87 3.229 7.851 -5.819 1.00 0.00 C ATOM 1341 CD1 LEU A 87 1.737 8.146 -6.017 1.00 0.00 C ATOM 1342 CD2 LEU A 87 4.066 8.705 -6.785 1.00 0.00 C ATOM 0 H LEU A 87 5.548 5.954 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 87 5.143 7.586 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.723 7.998 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.004 9.084 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 87 3.433 6.806 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.471 7.991 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.148 7.477 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.530 9.180 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.746 8.515 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.927 9.761 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.120 8.446 -6.680 1.00 0.00 H new ATOM 1354 N ARG A 88 3.245 5.862 -2.185 1.00 0.00 N ATOM 1355 CA ARG A 88 2.660 4.641 -1.618 1.00 0.00 C ATOM 1356 C ARG A 88 1.432 4.909 -0.778 1.00 0.00 C ATOM 1357 O ARG A 88 1.323 5.897 -0.045 1.00 0.00 O ATOM 1358 CB ARG A 88 3.754 3.922 -0.782 1.00 0.00 C ATOM 1359 CG ARG A 88 4.252 4.690 0.471 1.00 0.00 C ATOM 1360 CD ARG A 88 5.760 4.513 0.700 1.00 0.00 C ATOM 1361 NE ARG A 88 6.054 4.726 2.139 1.00 0.00 N ATOM 1362 CZ ARG A 88 5.766 3.880 3.119 1.00 0.00 C ATOM 1363 NH1 ARG A 88 5.173 2.735 2.950 1.00 0.00 N ATOM 1364 NH2 ARG A 88 6.098 4.220 4.314 1.00 0.00 N ATOM 0 H ARG A 88 2.990 6.721 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 88 2.323 4.008 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.365 2.955 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.609 3.724 -1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.026 5.750 0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.710 4.339 1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.073 3.515 0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.320 5.223 0.091 1.00 0.00 H new ATOM 0 HE ARG A 88 6.517 5.598 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.897 2.437 2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.984 2.135 3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.565 5.112 4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.895 3.598 5.096 1.00 0.00 H new ATOM 1378 N VAL A 89 0.481 3.991 -0.865 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.702 3.991 -0.008 1.00 0.00 C ATOM 1380 C VAL A 89 -0.725 2.737 0.842 1.00 0.00 C ATOM 1381 O VAL A 89 -1.083 1.642 0.395 1.00 0.00 O ATOM 1382 CB VAL A 89 -2.019 4.124 -0.871 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -2.176 3.123 -2.051 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -3.322 3.995 -0.043 1.00 0.00 C ATOM 0 H VAL A 89 0.505 3.221 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.657 4.854 0.656 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.884 5.129 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.117 3.313 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.348 3.250 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.173 2.103 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.184 4.097 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.350 3.019 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.351 4.778 0.715 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.314 2.882 2.088 1.00 0.00 N ATOM 1395 CA LYS A 90 -0.113 1.755 2.998 1.00 0.00 C ATOM 1396 C LYS A 90 -1.376 1.390 3.744 1.00 0.00 C ATOM 1397 O LYS A 90 -2.185 2.244 4.119 1.00 0.00 O ATOM 1398 CB LYS A 90 1.027 2.114 3.992 1.00 0.00 C ATOM 1399 CG LYS A 90 1.370 0.995 5.005 1.00 0.00 C ATOM 1400 CD LYS A 90 2.758 1.111 5.641 1.00 0.00 C ATOM 1401 CE LYS A 90 2.727 2.196 6.726 1.00 0.00 C ATOM 1402 NZ LYS A 90 2.378 1.584 8.021 1.00 0.00 N ATOM 0 H LYS A 90 -0.107 3.789 2.506 1.00 0.00 H new ATOM 0 HA LYS A 90 0.163 0.880 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.924 2.360 3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.743 3.011 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.621 0.999 5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.296 0.032 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.054 0.155 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.499 1.360 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.698 2.687 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.999 2.965 6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.357 2.318 8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.442 1.135 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.089 0.866 8.268 1.00 0.00 H new ATOM 1416 N LEU A 91 -1.555 0.104 3.995 1.00 0.00 N ATOM 1417 CA LEU A 91 -2.757 -0.402 4.653 1.00 0.00 C ATOM 1418 C LEU A 91 -2.626 -0.375 6.160 1.00 0.00 C ATOM 1419 O LEU A 91 -1.607 0.012 6.740 1.00 0.00 O ATOM 1420 CB LEU A 91 -3.082 -1.852 4.185 1.00 0.00 C ATOM 1421 CG LEU A 91 -3.727 -2.068 2.787 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -4.063 -3.547 2.518 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -5.000 -1.220 2.655 1.00 0.00 C ATOM 0 H LEU A 91 -0.878 -0.619 3.752 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.575 0.259 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.153 -2.421 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.747 -2.295 4.926 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.992 -1.756 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.511 -3.644 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.150 -4.141 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.766 -3.903 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.443 -1.379 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.713 -1.512 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.749 -0.166 2.773 1.00 0.00 H new ATOM 1435 N ALA A 92 -3.685 -0.824 6.817 1.00 0.00 N ATOM 1436 CA ALA A 92 -3.683 -1.034 8.260 1.00 0.00 C ATOM 1437 C ALA A 92 -3.295 -2.458 8.597 1.00 0.00 C ATOM 1438 O ALA A 92 -3.204 -2.820 9.788 1.00 0.00 O ATOM 1439 CB ALA A 92 -5.076 -0.653 8.791 1.00 0.00 C ATOM 0 H ALA A 92 -4.571 -1.054 6.366 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.937 -0.404 8.744 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.106 -0.800 9.871 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.280 0.393 8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.830 -1.282 8.318 1.00 0.00 H new ATOM 1445 N ASN A 93 -3.058 -3.303 7.611 1.00 0.00 N ATOM 1446 CA ASN A 93 -2.711 -4.706 7.851 1.00 0.00 C ATOM 1447 C ASN A 93 -1.328 -5.037 7.336 1.00 0.00 C ATOM 1448 O ASN A 93 -0.950 -6.228 7.280 1.00 0.00 O ATOM 1449 CB ASN A 93 -3.776 -5.623 7.181 1.00 0.00 C ATOM 1450 CG ASN A 93 -3.470 -6.125 5.766 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -3.355 -5.252 4.802 1.00 0.00 O flip ATOM 1452 ND2 ASN A 93 -3.344 -7.312 5.507 1.00 0.00 N flip ATOM 0 H ASN A 93 -3.098 -3.046 6.625 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.704 -4.878 8.927 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.928 -6.491 7.823 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.720 -5.080 7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.431 -8.008 6.248 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.152 -7.608 4.550 1.00 0.00 H new ATOM 1459 N GLY A 94 -0.526 -4.055 6.972 1.00 0.00 N ATOM 1460 CA GLY A 94 0.873 -4.299 6.600 1.00 0.00 C ATOM 1461 C GLY A 94 1.090 -4.094 5.121 1.00 0.00 C ATOM 1462 O GLY A 94 1.917 -3.281 4.689 1.00 0.00 O ATOM 0 H GLY A 94 -0.810 -3.077 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.523 -3.628 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.152 -5.317 6.873 1.00 0.00 H new ATOM 1466 N ALA A 95 0.365 -4.845 4.312 1.00 0.00 N ATOM 1467 CA ALA A 95 0.567 -4.837 2.865 1.00 0.00 C ATOM 1468 C ALA A 95 0.395 -3.445 2.306 1.00 0.00 C ATOM 1469 O ALA A 95 -0.553 -2.723 2.644 1.00 0.00 O ATOM 1470 CB ALA A 95 -0.412 -5.853 2.250 1.00 0.00 C ATOM 0 H ALA A 95 -0.374 -5.473 4.629 1.00 0.00 H new ATOM 0 HA ALA A 95 1.586 -5.131 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.286 -5.871 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.210 -6.844 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.435 -5.564 2.491 1.00 0.00 H new ATOM 1476 N LEU A 96 1.288 -3.040 1.423 1.00 0.00 N ATOM 1477 CA LEU A 96 1.312 -1.667 0.922 1.00 0.00 C ATOM 1478 C LEU A 96 1.077 -1.628 -0.570 1.00 0.00 C ATOM 1479 O LEU A 96 0.966 -2.666 -1.235 1.00 0.00 O ATOM 1480 CB LEU A 96 2.656 -0.976 1.289 1.00 0.00 C ATOM 1481 CG LEU A 96 3.329 -1.339 2.640 1.00 0.00 C ATOM 1482 CD1 LEU A 96 4.028 -2.702 2.534 1.00 0.00 C ATOM 1483 CD2 LEU A 96 4.342 -0.278 3.103 1.00 0.00 C ATOM 0 H LEU A 96 2.013 -3.642 1.032 1.00 0.00 H new ATOM 0 HA LEU A 96 0.501 -1.118 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.369 -1.194 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.489 0.101 1.281 1.00 0.00 H new ATOM 0 HG LEU A 96 2.535 -1.381 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.496 -2.946 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.295 -3.468 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.790 -2.661 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.781 -0.584 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.129 -0.175 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.835 0.678 3.230 1.00 0.00 H new ATOM 1495 N PHE A 97 0.969 -0.434 -1.123 1.00 0.00 N ATOM 1496 CA PHE A 97 0.893 -0.261 -2.573 1.00 0.00 C ATOM 1497 C PHE A 97 1.719 0.930 -3.004 1.00 0.00 C ATOM 1498 O PHE A 97 1.239 2.059 -3.136 1.00 0.00 O ATOM 1499 CB PHE A 97 -0.593 -0.071 -3.019 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.540 -1.215 -2.620 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -2.099 -1.269 -1.342 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -1.790 -2.251 -3.527 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.865 -2.368 -0.960 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -2.555 -3.348 -3.146 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.077 -3.416 -1.856 1.00 0.00 C ATOM 0 H PHE A 97 0.931 0.437 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 97 1.292 -1.156 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.969 0.858 -2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.620 0.042 -4.103 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.937 -0.457 -0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.387 -2.198 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.295 -2.409 0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.744 -4.146 -3.849 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.646 -4.281 -1.549 1.00 0.00 H new ATOM 1515 N LEU A 98 3.006 0.680 -3.203 1.00 0.00 N ATOM 1516 CA LEU A 98 3.944 1.703 -3.658 1.00 0.00 C ATOM 1517 C LEU A 98 3.792 1.951 -5.140 1.00 0.00 C ATOM 1518 O LEU A 98 3.196 1.129 -5.865 1.00 0.00 O ATOM 1519 CB LEU A 98 5.405 1.300 -3.305 1.00 0.00 C ATOM 1520 CG LEU A 98 5.765 1.090 -1.809 1.00 0.00 C ATOM 1521 CD1 LEU A 98 5.137 -0.184 -1.220 1.00 0.00 C ATOM 1522 CD2 LEU A 98 7.290 1.045 -1.634 1.00 0.00 C ATOM 0 H LEU A 98 3.431 -0.235 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 98 3.715 2.634 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.633 0.376 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.068 2.068 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 98 5.351 1.937 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.422 -0.280 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.051 -0.123 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.491 -1.054 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.531 0.897 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.699 0.221 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.724 1.984 -1.977 1.00 0.00 H new ATOM 1534 N LEU A 99 4.329 3.043 -5.650 1.00 0.00 N ATOM 1535 CA LEU A 99 4.089 3.439 -7.036 1.00 0.00 C ATOM 1536 C LEU A 99 5.289 4.134 -7.634 1.00 0.00 C ATOM 1537 O LEU A 99 5.433 5.372 -7.482 1.00 0.00 O ATOM 1538 CB LEU A 99 2.833 4.354 -7.134 1.00 0.00 C ATOM 1539 CG LEU A 99 1.807 4.335 -5.967 1.00 0.00 C ATOM 1540 CD1 LEU A 99 0.717 5.392 -6.217 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.149 2.965 -5.752 1.00 0.00 C ATOM 0 H LEU A 99 4.936 3.676 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 99 3.911 2.529 -7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.180 5.380 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.301 4.089 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 99 2.366 4.562 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.001 5.376 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.175 6.379 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.203 5.171 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.445 3.026 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.618 2.670 -6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.916 2.225 -5.524 1.00 0.00 H new ATOM 1553 N GLN A 100 6.189 3.430 -8.289 1.00 0.00 N ATOM 1554 CA GLN A 100 7.269 4.071 -9.040 1.00 0.00 C ATOM 1555 C GLN A 100 6.789 4.407 -10.431 1.00 0.00 C ATOM 1556 O GLN A 100 6.962 3.629 -11.377 1.00 0.00 O ATOM 1557 CB GLN A 100 8.502 3.140 -9.084 1.00 0.00 C ATOM 1558 CG GLN A 100 9.872 3.841 -9.380 1.00 0.00 C ATOM 1559 CD GLN A 100 11.180 3.084 -9.117 1.00 0.00 C ATOM 1560 OE1 GLN A 100 12.198 3.706 -8.577 1.00 0.00 O flip ATOM 1561 NE2 GLN A 100 11.302 1.909 -9.423 1.00 0.00 N flip ATOM 0 H GLN A 100 6.201 2.411 -8.321 1.00 0.00 H new ATOM 0 HA GLN A 100 7.562 4.997 -8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.578 2.623 -8.127 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.332 2.378 -9.845 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.869 4.133 -10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.902 4.759 -8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.520 1.408 -9.845 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.186 1.428 -9.257 1.00 0.00 H new ATOM 1570 N ALA A 101 6.206 5.582 -10.581 1.00 0.00 N ATOM 1571 CA ALA A 101 5.527 5.968 -11.815 1.00 0.00 C ATOM 1572 C ALA A 101 6.497 6.403 -12.892 1.00 0.00 C ATOM 1573 O ALA A 101 7.722 6.299 -12.768 1.00 0.00 O ATOM 1574 CB ALA A 101 4.507 7.065 -11.457 1.00 0.00 C ATOM 0 H ALA A 101 6.187 6.298 -9.855 1.00 0.00 H new ATOM 0 HA ALA A 101 5.009 5.109 -12.242 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.979 7.379 -12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.791 6.674 -10.734 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.028 7.920 -11.026 1.00 0.00 H new ATOM 1580 N HIS A 102 5.938 6.916 -13.976 1.00 0.00 N ATOM 1581 CA HIS A 102 6.706 7.239 -15.176 1.00 0.00 C ATOM 1582 C HIS A 102 7.365 8.596 -15.088 1.00 0.00 C ATOM 1583 O HIS A 102 8.513 8.721 -14.621 1.00 0.00 O ATOM 1584 CB HIS A 102 5.702 7.211 -16.344 1.00 0.00 C ATOM 1585 CG HIS A 102 5.770 5.935 -17.130 1.00 0.00 C ATOM 1586 ND1 HIS A 102 6.145 4.689 -16.634 1.00 0.00 N ATOM 1587 CD2 HIS A 102 5.452 5.869 -18.480 1.00 0.00 C ATOM 1588 CE1 HIS A 102 6.018 3.949 -17.752 1.00 0.00 C ATOM 1589 NE2 HIS A 102 5.613 4.572 -18.891 1.00 0.00 N ATOM 0 H HIS A 102 4.942 7.121 -14.053 1.00 0.00 H new ATOM 0 HA HIS A 102 7.515 6.520 -15.308 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.692 7.340 -15.954 1.00 0.00 H new ATOM 0 HB3 HIS A 102 5.898 8.053 -17.007 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.133 6.695 -19.098 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.232 2.890 -17.744 1.00 0.00 H new ATOM 0 HE2 HIS A 102 5.466 4.174 -19.818 1.00 0.00 H new ATOM 1597 N ASP A 103 6.682 9.645 -15.503 1.00 0.00 N ATOM 1598 CA ASP A 103 7.294 10.964 -15.629 1.00 0.00 C ATOM 1599 C ASP A 103 7.156 11.768 -14.355 1.00 0.00 C ATOM 1600 O ASP A 103 6.843 11.260 -13.273 1.00 0.00 O ATOM 1601 CB ASP A 103 6.684 11.719 -16.840 1.00 0.00 C ATOM 1602 CG ASP A 103 6.509 10.914 -18.136 1.00 0.00 C ATOM 1603 OD1 ASP A 103 7.442 9.923 -18.274 1.00 0.00 O ATOM 1604 OD2 ASP A 103 5.640 11.156 -18.961 1.00 0.00 O ATOM 0 H ASP A 103 5.696 9.614 -15.762 1.00 0.00 H new ATOM 0 HA ASP A 103 8.361 10.829 -15.804 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.708 12.105 -16.544 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.315 12.581 -17.057 1.00 0.00 H new ATOM 1609 N ASP A 104 7.370 13.063 -14.486 1.00 0.00 N ATOM 1610 CA ASP A 104 7.124 14.025 -13.418 1.00 0.00 C ATOM 1611 C ASP A 104 5.689 14.495 -13.447 1.00 0.00 C ATOM 1612 O ASP A 104 5.163 15.025 -12.457 1.00 0.00 O ATOM 1613 CB ASP A 104 8.143 15.195 -13.521 1.00 0.00 C ATOM 1614 CG ASP A 104 8.550 15.888 -12.215 1.00 0.00 C ATOM 1615 OD1 ASP A 104 7.506 16.043 -11.346 1.00 0.00 O ATOM 1616 OD2 ASP A 104 9.697 16.242 -11.977 1.00 0.00 O ATOM 0 H ASP A 104 7.723 13.486 -15.344 1.00 0.00 H new ATOM 0 HA ASP A 104 7.273 13.547 -12.450 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.047 14.815 -13.997 1.00 0.00 H new ATOM 0 HB3 ASP A 104 7.725 15.949 -14.187 1.00 0.00 H new ATOM 1621 N THR A 105 5.031 14.329 -14.581 1.00 0.00 N ATOM 1622 CA THR A 105 3.593 14.601 -14.664 1.00 0.00 C ATOM 1623 C THR A 105 2.846 13.515 -13.922 1.00 0.00 C ATOM 1624 O THR A 105 2.182 13.743 -12.906 1.00 0.00 O ATOM 1625 CB THR A 105 3.124 14.713 -16.154 1.00 0.00 C ATOM 1626 OG1 THR A 105 3.572 15.935 -16.726 1.00 0.00 O ATOM 1627 CG2 THR A 105 1.599 14.708 -16.394 1.00 0.00 C ATOM 0 H THR A 105 5.457 14.011 -15.452 1.00 0.00 H new ATOM 0 HA THR A 105 3.376 15.562 -14.197 1.00 0.00 H new ATOM 0 HB THR A 105 3.550 13.816 -16.604 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.273 15.989 -17.658 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.399 14.790 -17.462 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.174 13.778 -16.016 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.146 15.552 -15.874 1.00 0.00 H new ATOM 1635 N GLU A 106 2.973 12.301 -14.420 1.00 0.00 N ATOM 1636 CA GLU A 106 2.480 11.106 -13.744 1.00 0.00 C ATOM 1637 C GLU A 106 2.886 11.044 -12.292 1.00 0.00 C ATOM 1638 O GLU A 106 2.063 10.615 -11.442 1.00 0.00 O ATOM 1639 CB GLU A 106 3.040 9.861 -14.497 1.00 0.00 C ATOM 1640 CG GLU A 106 2.115 9.227 -15.587 1.00 0.00 C ATOM 1641 CD GLU A 106 2.652 9.063 -17.010 1.00 0.00 C ATOM 1642 OE1 GLU A 106 3.789 9.773 -17.252 1.00 0.00 O ATOM 1643 OE2 GLU A 106 2.108 8.360 -17.852 1.00 0.00 O ATOM 0 H GLU A 106 3.425 12.109 -15.314 1.00 0.00 H new ATOM 0 HA GLU A 106 1.390 11.129 -13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.980 10.144 -14.971 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.273 9.093 -13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.816 8.241 -15.232 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.211 9.833 -15.644 1.00 0.00 H new ATOM 1650 N MET A 107 4.105 11.419 -11.955 1.00 0.00 N ATOM 1651 CA MET A 107 4.594 11.187 -10.588 1.00 0.00 C ATOM 1652 C MET A 107 3.660 11.780 -9.560 1.00 0.00 C ATOM 1653 O MET A 107 2.964 11.073 -8.822 1.00 0.00 O ATOM 1654 CB MET A 107 6.025 11.763 -10.415 1.00 0.00 C ATOM 1655 CG MET A 107 7.167 10.735 -10.272 1.00 0.00 C ATOM 1656 SD MET A 107 7.231 10.132 -8.577 1.00 0.00 S ATOM 1657 CE MET A 107 8.257 11.428 -7.870 1.00 0.00 C ATOM 0 H MET A 107 4.768 11.875 -12.582 1.00 0.00 H new ATOM 0 HA MET A 107 4.628 10.109 -10.427 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.243 12.399 -11.273 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.031 12.404 -9.534 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.009 9.903 -10.958 1.00 0.00 H new ATOM 0 HG3 MET A 107 8.118 11.194 -10.541 1.00 0.00 H new ATOM 0 HE1 MET A 107 8.546 11.151 -6.856 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.151 11.557 -8.479 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.697 12.363 -7.845 1.00 0.00 H new ATOM 1667 N SER A 108 3.636 13.098 -9.496 1.00 0.00 N ATOM 1668 CA SER A 108 2.839 13.811 -8.501 1.00 0.00 C ATOM 1669 C SER A 108 1.356 13.660 -8.761 1.00 0.00 C ATOM 1670 O SER A 108 0.529 13.921 -7.867 1.00 0.00 O ATOM 1671 CB SER A 108 3.252 15.303 -8.437 1.00 0.00 C ATOM 1672 OG SER A 108 4.620 15.519 -8.797 1.00 0.00 O ATOM 0 H SER A 108 4.162 13.705 -10.124 1.00 0.00 H new ATOM 0 HA SER A 108 3.040 13.362 -7.528 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.611 15.881 -9.103 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.084 15.678 -7.428 1.00 0.00 H new ATOM 0 HG SER A 108 4.826 16.476 -8.741 1.00 0.00 H new ATOM 1678 N GLN A 109 0.964 13.270 -9.959 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.442 13.041 -10.292 1.00 0.00 C ATOM 1680 C GLN A 109 -0.967 11.785 -9.636 1.00 0.00 C ATOM 1681 O GLN A 109 -2.114 11.736 -9.165 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.571 12.964 -11.829 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.859 14.313 -12.565 1.00 0.00 C ATOM 1684 CD GLN A 109 -1.775 14.330 -13.794 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -1.965 13.321 -14.455 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -2.360 15.443 -14.157 1.00 0.00 N ATOM 0 H GLN A 109 1.606 13.101 -10.733 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.045 13.866 -9.912 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.352 12.545 -12.230 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.370 12.264 -12.071 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.285 14.998 -11.832 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.101 14.729 -12.870 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.213 16.296 -13.617 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.963 15.458 -14.980 1.00 0.00 H new ATOM 1695 N TRP A 110 -0.169 10.735 -9.609 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.484 9.509 -8.879 1.00 0.00 C ATOM 1697 C TRP A 110 -0.540 9.749 -7.390 1.00 0.00 C ATOM 1698 O TRP A 110 -1.392 9.213 -6.673 1.00 0.00 O ATOM 1699 CB TRP A 110 0.609 8.449 -9.191 1.00 0.00 C ATOM 1700 CG TRP A 110 0.340 7.605 -10.441 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.055 7.640 -11.655 1.00 0.00 C ATOM 1702 CD2 TRP A 110 -0.622 6.623 -10.597 1.00 0.00 C ATOM 1703 NE1 TRP A 110 0.563 6.689 -12.573 1.00 0.00 N ATOM 1704 CE2 TRP A 110 -0.475 6.072 -11.893 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -1.636 6.151 -9.720 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -1.333 5.032 -12.316 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -2.407 5.063 -10.127 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -2.255 4.505 -11.405 1.00 0.00 C ATOM 0 H TRP A 110 0.727 10.703 -10.096 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.465 9.157 -9.198 1.00 0.00 H new ATOM 0 HB2 TRP A 110 1.566 8.957 -9.311 1.00 0.00 H new ATOM 0 HB3 TRP A 110 0.707 7.784 -8.333 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.877 8.311 -11.857 1.00 0.00 H new ATOM 0 HE1 TRP A 110 0.895 6.499 -13.519 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.805 6.623 -8.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -1.278 4.651 -13.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.133 4.643 -9.447 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.859 3.656 -11.690 1.00 0.00 H new ATOM 1719 N VAL A 111 0.390 10.544 -6.895 1.00 0.00 N ATOM 1720 CA VAL A 111 0.428 10.887 -5.475 1.00 0.00 C ATOM 1721 C VAL A 111 -0.811 11.657 -5.078 1.00 0.00 C ATOM 1722 O VAL A 111 -1.464 11.365 -4.070 1.00 0.00 O ATOM 1723 CB VAL A 111 1.742 11.708 -5.163 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.684 13.237 -5.436 1.00 0.00 C ATOM 1725 CG2 VAL A 111 2.234 11.577 -3.702 1.00 0.00 C ATOM 0 H VAL A 111 1.133 10.968 -7.451 1.00 0.00 H new ATOM 0 HA VAL A 111 0.444 9.971 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 111 2.424 11.238 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.644 13.688 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.467 13.410 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.900 13.686 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.139 12.169 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.461 11.938 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.449 10.531 -3.483 1.00 0.00 H new ATOM 1735 N THR A 112 -1.162 12.646 -5.879 1.00 0.00 N ATOM 1736 CA THR A 112 -2.413 13.378 -5.703 1.00 0.00 C ATOM 1737 C THR A 112 -3.599 12.450 -5.835 1.00 0.00 C ATOM 1738 O THR A 112 -4.532 12.459 -5.025 1.00 0.00 O ATOM 1739 CB THR A 112 -2.516 14.555 -6.732 1.00 0.00 C ATOM 1740 OG1 THR A 112 -2.094 14.126 -8.017 1.00 0.00 O ATOM 1741 CG2 THR A 112 -1.654 15.801 -6.428 1.00 0.00 C ATOM 0 H THR A 112 -0.597 12.966 -6.665 1.00 0.00 H new ATOM 0 HA THR A 112 -2.421 13.801 -4.698 1.00 0.00 H new ATOM 0 HB THR A 112 -3.567 14.837 -6.673 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.118 14.184 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.807 16.548 -7.207 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.944 16.218 -5.463 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.602 15.517 -6.399 1.00 0.00 H new ATOM 1749 N SER A 113 -3.567 11.612 -6.857 1.00 0.00 N ATOM 1750 CA SER A 113 -4.705 10.757 -7.186 1.00 0.00 C ATOM 1751 C SER A 113 -4.991 9.791 -6.060 1.00 0.00 C ATOM 1752 O SER A 113 -6.141 9.567 -5.665 1.00 0.00 O ATOM 1753 CB SER A 113 -4.484 10.024 -8.535 1.00 0.00 C ATOM 1754 OG SER A 113 -5.089 10.716 -9.635 1.00 0.00 O ATOM 0 H SER A 113 -2.765 11.502 -7.478 1.00 0.00 H new ATOM 0 HA SER A 113 -5.584 11.390 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.415 9.919 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.896 9.017 -8.471 1.00 0.00 H new ATOM 0 HG SER A 113 -5.630 10.089 -10.158 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.939 9.218 -5.508 1.00 0.00 N ATOM 1761 CA LEU A 114 -4.060 8.210 -4.458 1.00 0.00 C ATOM 1762 C LEU A 114 -4.452 8.830 -3.137 1.00 0.00 C ATOM 1763 O LEU A 114 -5.212 8.249 -2.349 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.732 7.410 -4.328 1.00 0.00 C ATOM 1765 CG LEU A 114 -2.349 6.446 -5.484 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -2.021 5.055 -4.924 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -3.454 6.326 -6.549 1.00 0.00 C ATOM 0 H LEU A 114 -2.977 9.433 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.856 7.521 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.920 8.127 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.781 6.827 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.472 6.871 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.754 4.387 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.184 5.130 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.892 4.659 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.132 5.640 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.365 5.947 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.649 7.307 -6.983 1.00 0.00 H new ATOM 1779 N LYS A 115 -3.954 10.022 -2.863 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.248 10.706 -1.604 1.00 0.00 C ATOM 1781 C LYS A 115 -5.720 11.024 -1.483 1.00 0.00 C ATOM 1782 O LYS A 115 -6.324 10.911 -0.408 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.393 11.999 -1.512 1.00 0.00 C ATOM 1784 CG LYS A 115 -3.230 12.544 -0.072 1.00 0.00 C ATOM 1785 CD LYS A 115 -2.867 14.030 0.013 1.00 0.00 C ATOM 1786 CE LYS A 115 -1.931 14.254 1.208 1.00 0.00 C ATOM 1787 NZ LYS A 115 -1.437 15.642 1.188 1.00 0.00 N ATOM 0 H LYS A 115 -3.343 10.542 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.992 10.045 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.405 11.800 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -3.851 12.770 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.160 12.380 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.458 11.966 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.382 14.351 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.769 14.631 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.460 14.058 2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.094 13.557 1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.802 15.796 1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.918 15.813 0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.242 16.298 1.249 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.327 11.433 -2.581 1.00 0.00 N ATOM 1802 CA ALA A 116 -7.773 11.638 -2.637 1.00 0.00 C ATOM 1803 C ALA A 116 -8.524 10.337 -2.461 1.00 0.00 C ATOM 1804 O ALA A 116 -9.645 10.297 -1.938 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.091 12.327 -3.976 1.00 0.00 C ATOM 0 H ALA A 116 -5.842 11.633 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.102 12.273 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.165 12.496 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -7.569 13.282 -4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -7.765 11.691 -4.799 1.00 0.00 H new ATOM 1811 N GLN A 117 -7.933 9.249 -2.915 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.579 7.938 -2.959 1.00 0.00 C ATOM 1813 C GLN A 117 -8.645 7.271 -1.601 1.00 0.00 C ATOM 1814 O GLN A 117 -9.716 6.901 -1.112 1.00 0.00 O ATOM 1815 CB GLN A 117 -7.793 7.056 -3.954 1.00 0.00 C ATOM 1816 CG GLN A 117 -8.179 7.216 -5.460 1.00 0.00 C ATOM 1817 CD GLN A 117 -9.546 6.706 -5.934 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -10.011 5.659 -5.512 1.00 0.00 O ATOM 1819 NE2 GLN A 117 -10.234 7.399 -6.806 1.00 0.00 N ATOM 0 H GLN A 117 -6.977 9.244 -3.270 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.612 8.069 -3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -6.731 7.277 -3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.931 6.012 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.120 8.277 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.416 6.710 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.861 8.276 -7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.143 7.062 -7.122 1.00 0.00 H new ATOM 1828 N SER A 118 -7.489 7.086 -0.994 1.00 0.00 N ATOM 1829 CA SER A 118 -7.301 6.404 0.282 1.00 0.00 C ATOM 1830 C SER A 118 -8.497 6.570 1.188 1.00 0.00 C ATOM 1831 O SER A 118 -9.390 5.720 1.268 1.00 0.00 O ATOM 1832 CB SER A 118 -6.013 6.919 0.975 1.00 0.00 C ATOM 1833 OG SER A 118 -6.048 6.762 2.397 1.00 0.00 O ATOM 0 H SER A 118 -6.611 7.421 -1.391 1.00 0.00 H new ATOM 0 HA SER A 118 -7.195 5.338 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.152 6.383 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.872 7.973 0.734 1.00 0.00 H new ATOM 0 HG SER A 118 -5.679 5.887 2.639 1.00 0.00 H new