USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 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 109 GLN : amide:sc= -0.259 X(o=-1.9,f=-1.6) USER MOD Set 1.2: A 112 THR OG1 : rot 140:sc= -1.6 USER MOD Set 2.1: A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 108 SER OG : rot 52:sc= 0.458 USER MOD Set 3.1: A 83 LYS NZ :NH3+ -156:sc= 0.0289 (180deg=0) USER MOD Set 3.2: A 100 GLN : amide:sc= -0.328 X(o=-0.3,f=-0.6) USER MOD Set 4.1: A 40 LYS NZ :NH3+ -148:sc= 0.757 (180deg=-2.37) USER MOD Set 4.2: A 113 SER OG : rot 180:sc= -0.0529 USER MOD Set 5.1: A 17 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Set 5.2: A 18 HIS : no HD1:sc= -0.741 X(o=-0.74,f=-0.45) USER MOD Single : A 10 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.74) 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 68:sc= 1.95 USER MOD Single : A 37 MET CE :methyl 160:sc= -3.36! (180deg=-4.61!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -97:sc= -0.63 (180deg=-2.53!) USER MOD Single : A 53 TYR OH : rot 125:sc= 0.236 USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.253 (180deg=-1.37) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -149:sc= -2.46 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 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.398 (180deg=-1.18!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -5.73! C(o=-5.7!,f=-12!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN :FLIP amide:sc= -2.12! F(o=-2.8,f=-2.1!) USER MOD Single : A 118 SER OG : rot 76:sc= -2.02! USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 -5.654 5.653 -15.193 1.00 0.00 N ATOM 89 CA HIS A 10 -4.776 6.118 -16.267 1.00 0.00 C ATOM 90 C HIS A 10 -4.104 4.927 -16.920 1.00 0.00 C ATOM 91 O HIS A 10 -3.852 3.903 -16.249 1.00 0.00 O ATOM 92 CB HIS A 10 -3.741 7.077 -15.647 1.00 0.00 C ATOM 93 CG HIS A 10 -3.420 8.216 -16.577 1.00 0.00 C ATOM 94 ND1 HIS A 10 -4.288 8.754 -17.525 1.00 0.00 N ATOM 95 CD2 HIS A 10 -2.191 8.858 -16.590 1.00 0.00 C ATOM 96 CE1 HIS A 10 -3.490 9.700 -18.055 1.00 0.00 C ATOM 97 NE2 HIS A 10 -2.231 9.831 -17.554 1.00 0.00 N ATOM 0 HA HIS A 10 -5.339 6.644 -17.038 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.126 7.471 -14.706 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.829 6.528 -15.413 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.350 8.631 -15.952 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.839 10.337 -18.855 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -1.501 10.488 -17.828 1.00 0.00 H new ATOM 105 N GLU A 11 -3.826 4.983 -18.209 1.00 0.00 N ATOM 106 CA GLU A 11 -3.332 3.811 -18.934 1.00 0.00 C ATOM 107 C GLU A 11 -2.255 4.167 -19.934 1.00 0.00 C ATOM 108 O GLU A 11 -2.425 5.026 -20.804 1.00 0.00 O ATOM 109 CB GLU A 11 -4.542 3.132 -19.637 1.00 0.00 C ATOM 110 CG GLU A 11 -5.914 3.883 -19.595 1.00 0.00 C ATOM 111 CD GLU A 11 -6.679 4.076 -20.906 1.00 0.00 C ATOM 112 OE1 GLU A 11 -6.058 4.910 -21.785 1.00 0.00 O ATOM 113 OE2 GLU A 11 -7.748 3.528 -21.140 1.00 0.00 O ATOM 0 H GLU A 11 -3.931 5.821 -18.780 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.870 3.124 -18.225 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.278 2.972 -20.682 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.683 2.148 -19.189 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.566 3.345 -18.907 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.740 4.869 -19.164 1.00 0.00 H new ATOM 120 N GLY A 12 -1.121 3.497 -19.819 1.00 0.00 N ATOM 121 CA GLY A 12 -0.041 3.607 -20.794 1.00 0.00 C ATOM 122 C GLY A 12 0.893 2.423 -20.698 1.00 0.00 C ATOM 123 O GLY A 12 0.949 1.732 -19.666 1.00 0.00 O ATOM 0 H GLY A 12 -0.920 2.860 -19.048 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.458 3.666 -21.799 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.515 4.529 -20.625 1.00 0.00 H new ATOM 127 N TYR A 13 1.625 2.138 -21.761 1.00 0.00 N ATOM 128 CA TYR A 13 2.667 1.109 -21.709 1.00 0.00 C ATOM 129 C TYR A 13 3.861 1.604 -20.926 1.00 0.00 C ATOM 130 O TYR A 13 4.756 2.285 -21.440 1.00 0.00 O ATOM 131 CB TYR A 13 3.164 0.695 -23.124 1.00 0.00 C ATOM 132 CG TYR A 13 3.146 1.725 -24.258 1.00 0.00 C ATOM 133 CD1 TYR A 13 3.308 3.085 -23.976 1.00 0.00 C ATOM 134 CD2 TYR A 13 2.980 1.315 -25.587 1.00 0.00 C ATOM 135 CE1 TYR A 13 3.241 4.028 -24.999 1.00 0.00 C ATOM 136 CE2 TYR A 13 2.964 2.257 -26.613 1.00 0.00 C ATOM 137 CZ TYR A 13 3.095 3.611 -26.319 1.00 0.00 C ATOM 138 OH TYR A 13 3.077 4.531 -27.328 1.00 0.00 O ATOM 0 H TYR A 13 1.524 2.596 -22.667 1.00 0.00 H new ATOM 0 HA TYR A 13 2.215 0.243 -21.225 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.190 0.341 -23.020 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.564 -0.156 -23.446 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.486 3.406 -22.960 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.864 0.266 -25.817 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.302 5.081 -24.768 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.850 1.936 -27.638 1.00 0.00 H new ATOM 0 HH TYR A 13 2.969 4.072 -28.187 1.00 0.00 H new ATOM 148 N VAL A 14 3.906 1.237 -19.656 1.00 0.00 N ATOM 149 CA VAL A 14 4.912 1.765 -18.739 1.00 0.00 C ATOM 150 C VAL A 14 5.550 0.665 -17.925 1.00 0.00 C ATOM 151 O VAL A 14 5.270 -0.527 -18.097 1.00 0.00 O ATOM 152 CB VAL A 14 4.252 2.846 -17.792 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.057 4.263 -18.399 1.00 0.00 C ATOM 154 CG2 VAL A 14 2.860 2.441 -17.250 1.00 0.00 C ATOM 0 H VAL A 14 3.257 0.574 -19.232 1.00 0.00 H new ATOM 0 HA VAL A 14 5.701 2.234 -19.327 1.00 0.00 H new ATOM 0 HB VAL A 14 5.002 2.887 -17.002 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.597 4.916 -17.658 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.025 4.670 -18.691 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.412 4.198 -19.275 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.474 3.234 -16.609 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.176 2.284 -18.084 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.948 1.520 -16.674 1.00 0.00 H new ATOM 164 N THR A 15 6.411 1.058 -17.003 1.00 0.00 N ATOM 165 CA THR A 15 7.100 0.107 -16.137 1.00 0.00 C ATOM 166 C THR A 15 6.600 0.199 -14.715 1.00 0.00 C ATOM 167 O THR A 15 7.181 0.893 -13.866 1.00 0.00 O ATOM 168 CB THR A 15 8.649 0.339 -16.194 1.00 0.00 C ATOM 169 OG1 THR A 15 9.043 0.732 -17.502 1.00 0.00 O ATOM 170 CG2 THR A 15 9.539 -0.882 -15.872 1.00 0.00 C ATOM 0 H THR A 15 6.653 2.034 -16.831 1.00 0.00 H new ATOM 0 HA THR A 15 6.884 -0.898 -16.501 1.00 0.00 H new ATOM 0 HB THR A 15 8.803 1.094 -15.423 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.012 0.875 -17.523 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.588 -0.596 -15.944 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.327 -1.231 -14.861 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.331 -1.682 -16.583 1.00 0.00 H new ATOM 178 N ARG A 16 5.530 -0.509 -14.407 1.00 0.00 N ATOM 179 CA ARG A 16 4.912 -0.436 -13.083 1.00 0.00 C ATOM 180 C ARG A 16 5.239 -1.664 -12.266 1.00 0.00 C ATOM 181 O ARG A 16 5.681 -2.695 -12.786 1.00 0.00 O ATOM 182 CB ARG A 16 3.372 -0.255 -13.237 1.00 0.00 C ATOM 183 CG ARG A 16 2.531 -0.991 -12.164 1.00 0.00 C ATOM 184 CD ARG A 16 1.024 -0.703 -12.186 1.00 0.00 C ATOM 185 NE ARG A 16 0.757 0.605 -12.843 1.00 0.00 N ATOM 186 CZ ARG A 16 -0.161 1.483 -12.450 1.00 0.00 C ATOM 187 NH1 ARG A 16 -1.014 1.274 -11.491 1.00 0.00 N ATOM 188 NH2 ARG A 16 -0.205 2.610 -13.066 1.00 0.00 N ATOM 0 H ARG A 16 5.064 -1.146 -15.054 1.00 0.00 H new ATOM 0 HA ARG A 16 5.315 0.425 -12.549 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.138 0.809 -13.198 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.073 -0.611 -14.223 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.679 -2.064 -12.286 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.919 -0.726 -11.180 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.503 -1.498 -12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.634 -0.693 -11.168 1.00 0.00 H new ATOM 0 HE ARG A 16 1.322 0.847 -13.657 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.006 0.388 -10.985 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.691 1.996 -11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.449 2.802 -13.825 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.894 3.312 -12.796 1.00 0.00 H new ATOM 202 N LYS A 17 5.045 -1.565 -10.964 1.00 0.00 N ATOM 203 CA LYS A 17 5.205 -2.698 -10.056 1.00 0.00 C ATOM 204 C LYS A 17 3.962 -2.904 -9.221 1.00 0.00 C ATOM 205 O LYS A 17 3.836 -2.364 -8.114 1.00 0.00 O ATOM 206 CB LYS A 17 6.442 -2.460 -9.148 1.00 0.00 C ATOM 207 CG LYS A 17 7.417 -3.663 -9.091 1.00 0.00 C ATOM 208 CD LYS A 17 6.947 -4.847 -8.242 1.00 0.00 C ATOM 209 CE LYS A 17 5.860 -5.615 -9.005 1.00 0.00 C ATOM 210 NZ LYS A 17 5.875 -7.029 -8.588 1.00 0.00 N ATOM 0 H LYS A 17 4.772 -0.698 -10.501 1.00 0.00 H new ATOM 0 HA LYS A 17 5.359 -3.603 -10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.982 -1.584 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.101 -2.232 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.595 -4.014 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.374 -3.316 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.786 -5.506 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.557 -4.493 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.882 -5.176 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.031 -5.539 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.150 -7.555 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.811 -7.439 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.675 -7.093 -7.569 1.00 0.00 H new ATOM 224 N HIS A 18 3.034 -3.701 -9.716 1.00 0.00 N ATOM 225 CA HIS A 18 1.761 -3.925 -9.039 1.00 0.00 C ATOM 226 C HIS A 18 1.968 -4.534 -7.670 1.00 0.00 C ATOM 227 O HIS A 18 3.093 -4.713 -7.195 1.00 0.00 O ATOM 228 CB HIS A 18 0.951 -4.885 -9.927 1.00 0.00 C ATOM 229 CG HIS A 18 1.341 -6.320 -9.714 1.00 0.00 C ATOM 230 ND1 HIS A 18 0.469 -7.369 -9.434 1.00 0.00 N ATOM 231 CD2 HIS A 18 2.657 -6.755 -9.775 1.00 0.00 C ATOM 232 CE1 HIS A 18 1.350 -8.382 -9.342 1.00 0.00 C ATOM 233 NE2 HIS A 18 2.668 -8.105 -9.532 1.00 0.00 N ATOM 0 H HIS A 18 3.136 -4.211 -10.593 1.00 0.00 H new ATOM 0 HA HIS A 18 1.238 -2.980 -8.892 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.111 -4.764 -9.716 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.100 -4.621 -10.974 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.521 -6.139 -9.978 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.020 -9.387 -9.123 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.465 -8.741 -9.501 1.00 0.00 H new ATOM 445 N TRP A 32 10.068 -5.188 -10.985 1.00 0.00 N ATOM 446 CA TRP A 32 8.999 -4.526 -11.726 1.00 0.00 C ATOM 447 C TRP A 32 8.811 -5.166 -13.082 1.00 0.00 C ATOM 448 O TRP A 32 9.571 -6.048 -13.499 1.00 0.00 O ATOM 449 CB TRP A 32 9.349 -3.022 -11.904 1.00 0.00 C ATOM 450 CG TRP A 32 9.579 -2.222 -10.617 1.00 0.00 C ATOM 451 CD1 TRP A 32 10.126 -2.713 -9.414 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.388 -0.867 -10.417 1.00 0.00 C ATOM 453 NE1 TRP A 32 10.294 -1.689 -8.461 1.00 0.00 N ATOM 454 CE2 TRP A 32 9.829 -0.555 -9.107 1.00 0.00 C ATOM 455 CE3 TRP A 32 8.855 0.144 -11.258 1.00 0.00 C ATOM 456 CZ2 TRP A 32 9.773 0.778 -8.641 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.728 1.435 -10.744 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.211 1.757 -9.467 1.00 0.00 C ATOM 0 HA TRP A 32 8.070 -4.627 -11.164 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.247 -2.950 -12.517 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.543 -2.547 -12.463 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.385 -3.748 -9.244 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.670 -1.765 -7.516 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.555 -0.080 -12.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.157 1.036 -7.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.250 2.199 -11.339 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.148 2.776 -9.116 1.00 0.00 H new ATOM 469 N ASP A 33 7.804 -4.716 -13.808 1.00 0.00 N ATOM 470 CA ASP A 33 7.546 -5.204 -15.161 1.00 0.00 C ATOM 471 C ASP A 33 7.167 -4.069 -16.085 1.00 0.00 C ATOM 472 O ASP A 33 6.655 -3.028 -15.658 1.00 0.00 O ATOM 473 CB ASP A 33 6.460 -6.311 -15.135 1.00 0.00 C ATOM 474 CG ASP A 33 6.739 -7.568 -15.971 1.00 0.00 C ATOM 475 OD1 ASP A 33 7.494 -8.457 -15.604 1.00 0.00 O ATOM 476 OD2 ASP A 33 6.076 -7.569 -17.166 1.00 0.00 O ATOM 0 H ASP A 33 7.144 -4.008 -13.485 1.00 0.00 H new ATOM 0 HA ASP A 33 8.463 -5.643 -15.554 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.310 -6.617 -14.100 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.521 -5.875 -15.478 1.00 0.00 H new ATOM 481 N LYS A 34 7.392 -4.265 -17.371 1.00 0.00 N ATOM 482 CA LYS A 34 7.058 -3.269 -18.386 1.00 0.00 C ATOM 483 C LYS A 34 6.005 -3.792 -19.335 1.00 0.00 C ATOM 484 O LYS A 34 6.293 -4.517 -20.294 1.00 0.00 O ATOM 485 CB LYS A 34 8.347 -2.865 -19.155 1.00 0.00 C ATOM 486 CG LYS A 34 8.136 -1.691 -20.144 1.00 0.00 C ATOM 487 CD LYS A 34 8.983 -1.763 -21.419 1.00 0.00 C ATOM 488 CE LYS A 34 9.788 -0.464 -21.570 1.00 0.00 C ATOM 489 NZ LYS A 34 8.994 0.521 -22.326 1.00 0.00 N ATOM 0 H LYS A 34 7.811 -5.116 -17.746 1.00 0.00 H new ATOM 0 HA LYS A 34 6.644 -2.388 -17.895 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.118 -2.589 -18.436 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.719 -3.730 -19.705 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.084 -1.657 -20.426 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.359 -0.756 -19.629 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.657 -2.618 -21.373 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.341 -1.909 -22.288 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.043 -0.065 -20.588 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.727 -0.663 -22.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.539 1.401 -22.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.773 0.139 -23.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.110 0.719 -21.816 1.00 0.00 H new ATOM 503 N VAL A 35 4.764 -3.410 -19.094 1.00 0.00 N ATOM 504 CA VAL A 35 3.624 -3.932 -19.845 1.00 0.00 C ATOM 505 C VAL A 35 2.674 -2.823 -20.229 1.00 0.00 C ATOM 506 O VAL A 35 2.985 -1.630 -20.081 1.00 0.00 O ATOM 507 CB VAL A 35 2.880 -5.034 -18.987 1.00 0.00 C ATOM 508 CG1 VAL A 35 3.720 -5.728 -17.877 1.00 0.00 C ATOM 509 CG2 VAL A 35 1.603 -4.522 -18.276 1.00 0.00 C ATOM 0 H VAL A 35 4.513 -2.731 -18.375 1.00 0.00 H new ATOM 0 HA VAL A 35 3.991 -4.386 -20.766 1.00 0.00 H new ATOM 0 HB VAL A 35 2.649 -5.756 -19.771 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.103 -6.462 -17.359 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.577 -6.228 -18.328 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.070 -4.981 -17.165 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.151 -5.336 -17.709 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.865 -3.709 -17.598 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.893 -4.160 -19.020 1.00 0.00 H new ATOM 519 N TYR A 36 1.494 -3.176 -20.703 1.00 0.00 N ATOM 520 CA TYR A 36 0.449 -2.185 -20.964 1.00 0.00 C ATOM 521 C TYR A 36 -0.531 -2.109 -19.817 1.00 0.00 C ATOM 522 O TYR A 36 -1.572 -2.777 -19.770 1.00 0.00 O ATOM 523 CB TYR A 36 -0.352 -2.524 -22.255 1.00 0.00 C ATOM 524 CG TYR A 36 -0.033 -1.689 -23.501 1.00 0.00 C ATOM 525 CD1 TYR A 36 -0.070 -0.293 -23.430 1.00 0.00 C ATOM 526 CD2 TYR A 36 0.289 -2.309 -24.713 1.00 0.00 C ATOM 527 CE1 TYR A 36 0.139 0.472 -24.573 1.00 0.00 C ATOM 528 CE2 TYR A 36 0.486 -1.541 -25.858 1.00 0.00 C ATOM 529 CZ TYR A 36 0.369 -0.154 -25.796 1.00 0.00 C ATOM 530 OH TYR A 36 0.483 0.591 -26.935 1.00 0.00 O ATOM 0 H TYR A 36 1.229 -4.137 -20.917 1.00 0.00 H new ATOM 0 HA TYR A 36 0.958 -1.229 -21.087 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.182 -3.573 -22.496 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.414 -2.416 -22.035 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.261 0.193 -22.485 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.385 -3.384 -24.761 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.123 1.550 -24.512 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.730 -2.021 -26.794 1.00 0.00 H new ATOM 0 HH TYR A 36 1.309 1.118 -26.900 1.00 0.00 H new ATOM 540 N MET A 37 -0.221 -1.250 -18.858 1.00 0.00 N ATOM 541 CA MET A 37 -0.998 -1.164 -17.624 1.00 0.00 C ATOM 542 C MET A 37 -2.227 -0.307 -17.818 1.00 0.00 C ATOM 543 O MET A 37 -2.205 0.741 -18.473 1.00 0.00 O ATOM 544 CB MET A 37 -0.104 -0.606 -16.483 1.00 0.00 C ATOM 545 CG MET A 37 0.013 -1.465 -15.206 1.00 0.00 C ATOM 546 SD MET A 37 0.476 -3.156 -15.615 1.00 0.00 S ATOM 547 CE MET A 37 1.297 -3.596 -14.078 1.00 0.00 C ATOM 0 H MET A 37 0.564 -0.600 -18.908 1.00 0.00 H new ATOM 0 HA MET A 37 -1.337 -2.163 -17.349 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.899 -0.452 -16.882 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.488 0.374 -16.199 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.756 -1.031 -14.537 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.937 -1.462 -14.672 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.341 -4.681 -13.987 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.309 -3.191 -14.077 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.740 -3.183 -13.237 1.00 0.00 H new ATOM 557 N ALA A 38 -3.325 -0.742 -17.225 1.00 0.00 N ATOM 558 CA ALA A 38 -4.567 0.024 -17.207 1.00 0.00 C ATOM 559 C ALA A 38 -5.147 0.060 -15.810 1.00 0.00 C ATOM 560 O ALA A 38 -6.091 -0.658 -15.463 1.00 0.00 O ATOM 561 CB ALA A 38 -5.523 -0.601 -18.238 1.00 0.00 C ATOM 0 H ALA A 38 -3.384 -1.638 -16.740 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.391 1.064 -17.483 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.462 -0.047 -18.246 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.068 -0.559 -19.228 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.717 -1.640 -17.971 1.00 0.00 H new ATOM 567 N ALA A 39 -4.573 0.909 -14.980 1.00 0.00 N ATOM 568 CA ALA A 39 -4.886 0.969 -13.554 1.00 0.00 C ATOM 569 C ALA A 39 -4.596 2.340 -12.998 1.00 0.00 C ATOM 570 O ALA A 39 -4.011 3.206 -13.689 1.00 0.00 O ATOM 571 CB ALA A 39 -4.075 -0.139 -12.858 1.00 0.00 C ATOM 0 H ALA A 39 -3.869 1.586 -15.273 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.948 0.800 -13.378 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.283 -0.125 -11.788 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.355 -1.108 -13.270 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.011 0.031 -13.023 1.00 0.00 H new ATOM 577 N LYS A 40 -5.006 2.627 -11.776 1.00 0.00 N ATOM 578 CA LYS A 40 -4.624 3.881 -11.117 1.00 0.00 C ATOM 579 C LYS A 40 -4.776 3.797 -9.618 1.00 0.00 C ATOM 580 O LYS A 40 -3.805 3.643 -8.871 1.00 0.00 O ATOM 581 CB LYS A 40 -5.467 5.045 -11.720 1.00 0.00 C ATOM 582 CG LYS A 40 -6.097 6.054 -10.733 1.00 0.00 C ATOM 583 CD LYS A 40 -6.168 7.502 -11.243 1.00 0.00 C ATOM 584 CE LYS A 40 -7.261 7.692 -12.307 1.00 0.00 C ATOM 585 NZ LYS A 40 -7.760 9.081 -12.260 1.00 0.00 N ATOM 0 H LYS A 40 -5.601 2.018 -11.215 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.567 4.073 -11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.830 5.600 -12.408 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.270 4.607 -12.312 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.106 5.720 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.524 6.039 -9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.360 8.171 -10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.203 7.785 -11.662 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.862 7.471 -13.297 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.080 6.994 -12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.766 9.098 -12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.648 9.458 -11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.218 9.667 -12.926 1.00 0.00 H new ATOM 599 N ALA A 41 -6.010 3.869 -9.158 1.00 0.00 N ATOM 600 CA ALA A 41 -6.293 4.005 -7.730 1.00 0.00 C ATOM 601 C ALA A 41 -7.789 3.963 -7.485 1.00 0.00 C ATOM 602 O ALA A 41 -8.365 4.641 -6.628 1.00 0.00 O ATOM 603 CB ALA A 41 -5.626 5.308 -7.264 1.00 0.00 C ATOM 0 H ALA A 41 -6.840 3.836 -9.750 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.885 3.178 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.812 5.451 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.552 5.250 -7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.040 6.148 -7.821 1.00 0.00 H new ATOM 609 N GLY A 42 -8.456 3.158 -8.292 1.00 0.00 N ATOM 610 CA GLY A 42 -9.912 2.986 -8.273 1.00 0.00 C ATOM 611 C GLY A 42 -10.218 1.538 -8.648 1.00 0.00 C ATOM 612 O GLY A 42 -11.079 0.867 -8.078 1.00 0.00 O ATOM 0 H GLY A 42 -7.995 2.587 -9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.311 3.217 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.386 3.671 -8.976 1.00 0.00 H new ATOM 616 N ARG A 43 -9.498 1.079 -9.654 1.00 0.00 N ATOM 617 CA ARG A 43 -9.425 -0.329 -10.025 1.00 0.00 C ATOM 618 C ARG A 43 -8.171 -0.584 -10.838 1.00 0.00 C ATOM 619 O ARG A 43 -7.722 0.299 -11.594 1.00 0.00 O ATOM 620 CB ARG A 43 -10.690 -0.726 -10.834 1.00 0.00 C ATOM 621 CG ARG A 43 -12.012 -0.812 -10.029 1.00 0.00 C ATOM 622 CD ARG A 43 -13.018 -1.800 -10.645 1.00 0.00 C ATOM 623 NE ARG A 43 -14.385 -1.349 -10.283 1.00 0.00 N ATOM 624 CZ ARG A 43 -15.371 -2.106 -9.822 1.00 0.00 C ATOM 625 NH1 ARG A 43 -15.281 -3.387 -9.620 1.00 0.00 N ATOM 626 NH2 ARG A 43 -16.491 -1.528 -9.556 1.00 0.00 N ATOM 0 H ARG A 43 -8.934 1.684 -10.251 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.383 -0.939 -9.122 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.824 -0.003 -11.639 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.509 -1.694 -11.302 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.791 -1.116 -9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.466 0.178 -9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.903 -1.835 -11.728 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.838 -2.808 -10.272 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.586 -0.356 -10.401 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.407 -3.875 -9.819 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.084 -3.905 -9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -16.594 -0.524 -9.702 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -17.275 -2.075 -9.199 1.00 0.00 H new ATOM 640 N ILE A 44 -7.586 -1.763 -10.740 1.00 0.00 N ATOM 641 CA ILE A 44 -6.455 -2.133 -11.592 1.00 0.00 C ATOM 642 C ILE A 44 -6.901 -2.991 -12.754 1.00 0.00 C ATOM 643 O ILE A 44 -7.900 -3.716 -12.691 1.00 0.00 O ATOM 644 CB ILE A 44 -5.304 -2.832 -10.759 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.229 -1.859 -10.178 1.00 0.00 C ATOM 646 CG2 ILE A 44 -4.563 -3.942 -11.569 1.00 0.00 C ATOM 647 CD1 ILE A 44 -4.730 -0.454 -9.783 1.00 0.00 C ATOM 0 H ILE A 44 -7.871 -2.487 -10.080 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.040 -1.213 -12.005 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.846 -3.272 -9.922 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.784 -2.325 -9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.434 -1.745 -10.915 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.785 -4.387 -10.949 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.275 -4.712 -11.866 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.111 -3.503 -12.459 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.898 0.133 -9.393 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.146 0.044 -10.659 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.501 -0.544 -9.017 1.00 0.00 H new ATOM 659 N SER A 45 -6.162 -2.909 -13.845 1.00 0.00 N ATOM 660 CA SER A 45 -6.364 -3.778 -15.004 1.00 0.00 C ATOM 661 C SER A 45 -5.075 -3.939 -15.776 1.00 0.00 C ATOM 662 O SER A 45 -4.428 -2.953 -16.164 1.00 0.00 O ATOM 663 CB SER A 45 -7.511 -3.248 -15.899 1.00 0.00 C ATOM 664 OG SER A 45 -8.203 -4.292 -16.592 1.00 0.00 O ATOM 0 H SER A 45 -5.402 -2.239 -13.959 1.00 0.00 H new ATOM 0 HA SER A 45 -6.662 -4.765 -14.651 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.220 -2.695 -15.283 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.103 -2.545 -16.625 1.00 0.00 H new ATOM 0 HG SER A 45 -8.917 -3.904 -17.140 1.00 0.00 H new ATOM 670 N PHE A 46 -4.669 -5.170 -16.024 1.00 0.00 N ATOM 671 CA PHE A 46 -3.352 -5.451 -16.597 1.00 0.00 C ATOM 672 C PHE A 46 -3.406 -6.203 -17.909 1.00 0.00 C ATOM 673 O PHE A 46 -4.197 -7.130 -18.106 1.00 0.00 O ATOM 674 CB PHE A 46 -2.538 -6.317 -15.580 1.00 0.00 C ATOM 675 CG PHE A 46 -2.092 -5.602 -14.295 1.00 0.00 C ATOM 676 CD1 PHE A 46 -2.218 -4.215 -14.170 1.00 0.00 C ATOM 677 CD2 PHE A 46 -1.617 -6.351 -13.212 1.00 0.00 C ATOM 678 CE1 PHE A 46 -1.911 -3.591 -12.963 1.00 0.00 C ATOM 679 CE2 PHE A 46 -1.312 -5.726 -12.007 1.00 0.00 C ATOM 680 CZ PHE A 46 -1.466 -4.348 -11.880 1.00 0.00 C ATOM 0 H PHE A 46 -5.231 -6.001 -15.839 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.885 -4.486 -16.793 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.143 -7.180 -15.301 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.652 -6.700 -16.086 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.554 -3.626 -15.011 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.487 -7.418 -13.312 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.018 -2.521 -12.866 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.956 -6.309 -11.171 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.240 -3.865 -10.941 1.00 0.00 H new ATOM 690 N TYR A 47 -2.537 -5.814 -18.827 1.00 0.00 N ATOM 691 CA TYR A 47 -2.319 -6.553 -20.068 1.00 0.00 C ATOM 692 C TYR A 47 -0.978 -6.198 -20.672 1.00 0.00 C ATOM 693 O TYR A 47 -0.605 -5.017 -20.752 1.00 0.00 O ATOM 694 CB TYR A 47 -3.429 -6.237 -21.113 1.00 0.00 C ATOM 695 CG TYR A 47 -3.667 -4.770 -21.492 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.381 -3.935 -20.627 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.189 -4.259 -22.703 1.00 0.00 C ATOM 698 CE1 TYR A 47 -4.697 -2.635 -21.009 1.00 0.00 C ATOM 699 CE2 TYR A 47 -3.510 -2.958 -23.086 1.00 0.00 C ATOM 700 CZ TYR A 47 -4.247 -2.143 -22.233 1.00 0.00 C ATOM 701 OH TYR A 47 -4.532 -0.857 -22.598 1.00 0.00 O ATOM 0 H TYR A 47 -1.961 -4.977 -18.737 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.346 -7.614 -19.820 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.193 -6.783 -22.026 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.368 -6.640 -20.734 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.688 -4.301 -19.658 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.571 -4.873 -23.342 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.290 -2.009 -20.359 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.186 -2.582 -24.045 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.144 -0.673 -23.479 1.00 0.00 H new ATOM 711 N LYS A 48 -0.205 -7.189 -21.080 1.00 0.00 N ATOM 712 CA LYS A 48 1.040 -6.936 -21.810 1.00 0.00 C ATOM 713 C LYS A 48 0.736 -6.415 -23.199 1.00 0.00 C ATOM 714 O LYS A 48 1.278 -5.418 -23.686 1.00 0.00 O ATOM 715 CB LYS A 48 1.891 -8.232 -21.866 1.00 0.00 C ATOM 716 CG LYS A 48 3.315 -8.014 -22.440 1.00 0.00 C ATOM 717 CD LYS A 48 4.044 -9.297 -22.849 1.00 0.00 C ATOM 718 CE LYS A 48 5.539 -9.158 -22.531 1.00 0.00 C ATOM 719 NZ LYS A 48 6.330 -9.645 -23.676 1.00 0.00 N ATOM 0 H LYS A 48 -0.410 -8.176 -20.922 1.00 0.00 H new ATOM 0 HA LYS A 48 1.617 -6.173 -21.287 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.973 -8.647 -20.861 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.372 -8.972 -22.475 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.245 -7.359 -23.309 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.916 -7.493 -21.695 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.626 -10.151 -22.317 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.903 -9.485 -23.913 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.783 -8.116 -22.323 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.786 -9.728 -21.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.344 -9.552 -23.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.104 -10.644 -23.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.101 -9.083 -24.520 1.00 0.00 H new ATOM 733 N ASP A 49 -0.179 -7.103 -23.858 1.00 0.00 N ATOM 734 CA ASP A 49 -0.740 -6.686 -25.137 1.00 0.00 C ATOM 735 C ASP A 49 -2.190 -7.098 -25.241 1.00 0.00 C ATOM 736 O ASP A 49 -2.839 -7.475 -24.250 1.00 0.00 O ATOM 737 CB ASP A 49 0.102 -7.254 -26.310 1.00 0.00 C ATOM 738 CG ASP A 49 1.144 -6.325 -26.949 1.00 0.00 C ATOM 739 OD1 ASP A 49 1.921 -5.643 -26.296 1.00 0.00 O ATOM 740 OD2 ASP A 49 1.119 -6.364 -28.316 1.00 0.00 O ATOM 0 H ASP A 49 -0.562 -7.984 -23.515 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.702 -5.598 -25.199 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.619 -8.144 -25.953 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.585 -7.577 -27.092 1.00 0.00 H new ATOM 745 N GLN A 50 -2.751 -7.010 -26.432 1.00 0.00 N ATOM 746 CA GLN A 50 -4.080 -7.557 -26.696 1.00 0.00 C ATOM 747 C GLN A 50 -3.969 -9.020 -27.060 1.00 0.00 C ATOM 748 O GLN A 50 -4.166 -9.418 -28.210 1.00 0.00 O ATOM 749 CB GLN A 50 -4.742 -6.747 -27.832 1.00 0.00 C ATOM 750 CG GLN A 50 -3.843 -6.439 -29.076 1.00 0.00 C ATOM 751 CD GLN A 50 -3.456 -4.986 -29.375 1.00 0.00 C ATOM 752 OE1 GLN A 50 -2.287 -4.642 -29.436 1.00 0.00 O ATOM 753 NE2 GLN A 50 -4.389 -4.092 -29.582 1.00 0.00 N ATOM 0 H GLN A 50 -2.311 -6.565 -27.237 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.701 -7.480 -25.804 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.623 -7.291 -28.172 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.092 -5.801 -27.419 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.920 -7.008 -28.964 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.354 -6.831 -29.956 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.372 -4.360 -29.535 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.133 -3.127 -29.790 1.00 0.00 H new ATOM 762 N LYS A 51 -3.646 -9.842 -26.082 1.00 0.00 N ATOM 763 CA LYS A 51 -3.295 -11.250 -26.269 1.00 0.00 C ATOM 764 C LYS A 51 -4.352 -12.161 -25.698 1.00 0.00 C ATOM 765 O LYS A 51 -5.283 -12.570 -26.433 1.00 0.00 O ATOM 766 CB LYS A 51 -1.919 -11.496 -25.578 1.00 0.00 C ATOM 767 CG LYS A 51 -1.789 -10.679 -24.255 1.00 0.00 C ATOM 768 CD LYS A 51 -0.888 -11.280 -23.178 1.00 0.00 C ATOM 769 CE LYS A 51 0.226 -12.093 -23.852 1.00 0.00 C ATOM 770 NZ LYS A 51 -0.117 -13.525 -23.818 1.00 0.00 N ATOM 0 H LYS A 51 -3.617 -9.549 -25.106 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.229 -11.475 -27.334 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.803 -12.558 -25.364 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.114 -11.219 -26.259 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.413 -9.686 -24.501 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.786 -10.548 -23.834 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.457 -10.489 -22.564 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.470 -11.919 -22.514 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.357 -11.765 -24.883 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.174 -11.924 -23.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.358 -13.977 -23.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.147 -13.633 -23.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.195 -13.978 -24.701 1.00 0.00 H new ATOM 784 N GLY A 52 -4.250 -12.560 -24.447 1.00 0.00 N ATOM 785 CA GLY A 52 -5.404 -13.206 -23.779 1.00 0.00 C ATOM 786 C GLY A 52 -6.612 -12.301 -24.054 1.00 0.00 C ATOM 787 O GLY A 52 -7.746 -12.725 -24.281 1.00 0.00 O ATOM 0 H GLY A 52 -3.414 -12.461 -23.871 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.571 -14.209 -24.171 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.228 -13.308 -22.708 1.00 0.00 H new ATOM 791 N TYR A 53 -6.317 -11.012 -24.065 1.00 0.00 N ATOM 792 CA TYR A 53 -7.244 -9.977 -24.506 1.00 0.00 C ATOM 793 C TYR A 53 -7.807 -10.309 -25.870 1.00 0.00 C ATOM 794 O TYR A 53 -9.037 -10.267 -26.076 1.00 0.00 O ATOM 795 CB TYR A 53 -6.527 -8.598 -24.590 1.00 0.00 C ATOM 796 CG TYR A 53 -6.885 -7.560 -23.520 1.00 0.00 C ATOM 797 CD1 TYR A 53 -7.486 -7.969 -22.325 1.00 0.00 C ATOM 798 CD2 TYR A 53 -6.606 -6.204 -23.721 1.00 0.00 C ATOM 799 CE1 TYR A 53 -7.777 -7.038 -21.332 1.00 0.00 C ATOM 800 CE2 TYR A 53 -6.868 -5.280 -22.712 1.00 0.00 C ATOM 801 CZ TYR A 53 -7.436 -5.701 -21.513 1.00 0.00 C ATOM 802 OH TYR A 53 -7.662 -4.797 -20.514 1.00 0.00 O ATOM 0 H TYR A 53 -5.413 -10.647 -23.764 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.053 -9.928 -23.777 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.452 -8.772 -24.546 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.740 -8.164 -25.567 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.725 -9.011 -22.172 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.187 -5.873 -24.660 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.267 -7.353 -20.422 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.630 -4.237 -22.860 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.825 -4.337 -20.294 1.00 0.00 H new ATOM 812 N LYS A 54 -6.966 -10.603 -26.845 1.00 0.00 N ATOM 813 CA LYS A 54 -7.426 -11.134 -28.131 1.00 0.00 C ATOM 814 C LYS A 54 -8.493 -12.188 -27.929 1.00 0.00 C ATOM 815 O LYS A 54 -9.619 -12.084 -28.426 1.00 0.00 O ATOM 816 CB LYS A 54 -6.232 -11.723 -28.932 1.00 0.00 C ATOM 817 CG LYS A 54 -6.463 -11.726 -30.468 1.00 0.00 C ATOM 818 CD LYS A 54 -7.926 -11.757 -30.912 1.00 0.00 C ATOM 819 CE LYS A 54 -8.061 -11.081 -32.284 1.00 0.00 C ATOM 820 NZ LYS A 54 -6.880 -11.393 -33.110 1.00 0.00 N ATOM 0 H LYS A 54 -5.955 -10.485 -26.777 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.860 -10.313 -28.701 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.334 -11.147 -28.708 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.048 -12.744 -28.597 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.992 -10.839 -30.891 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.954 -12.591 -30.893 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.279 -12.787 -30.966 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.550 -11.245 -30.180 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.967 -11.426 -32.783 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.156 -10.002 -32.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.144 -11.370 -34.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.136 -10.689 -32.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.526 -12.340 -32.866 1.00 0.00 H new ATOM 834 N SER A 55 -8.153 -13.213 -27.170 1.00 0.00 N ATOM 835 CA SER A 55 -9.051 -14.342 -26.942 1.00 0.00 C ATOM 836 C SER A 55 -10.216 -13.939 -26.068 1.00 0.00 C ATOM 837 O SER A 55 -11.319 -13.648 -26.553 1.00 0.00 O ATOM 838 CB SER A 55 -8.279 -15.548 -26.351 1.00 0.00 C ATOM 839 OG SER A 55 -8.553 -16.774 -27.041 1.00 0.00 O ATOM 0 H SER A 55 -7.254 -13.292 -26.695 1.00 0.00 H new ATOM 0 HA SER A 55 -9.460 -14.654 -27.903 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.209 -15.344 -26.392 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.542 -15.662 -25.299 1.00 0.00 H new ATOM 0 HG SER A 55 -8.041 -17.502 -26.631 1.00 0.00 H new ATOM 845 N ASN A 56 -9.994 -13.891 -24.768 1.00 0.00 N ATOM 846 CA ASN A 56 -11.066 -13.637 -23.808 1.00 0.00 C ATOM 847 C ASN A 56 -10.755 -12.427 -22.960 1.00 0.00 C ATOM 848 O ASN A 56 -9.636 -12.256 -22.470 1.00 0.00 O ATOM 849 CB ASN A 56 -11.269 -14.893 -22.911 1.00 0.00 C ATOM 850 CG ASN A 56 -12.010 -16.083 -23.530 1.00 0.00 C ATOM 851 OD1 ASN A 56 -13.179 -16.331 -23.272 1.00 0.00 O ATOM 852 ND2 ASN A 56 -11.361 -16.872 -24.344 1.00 0.00 N ATOM 0 H ASN A 56 -9.076 -14.025 -24.344 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.986 -13.433 -24.355 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.288 -15.238 -22.586 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.811 -14.586 -22.017 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.830 -17.680 -24.753 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.385 -16.680 -24.570 1.00 0.00 H new ATOM 859 N PRO A 57 -11.740 -11.573 -22.759 1.00 0.00 N ATOM 860 CA PRO A 57 -11.651 -10.264 -21.967 1.00 0.00 C ATOM 861 C PRO A 57 -11.442 -10.408 -20.474 1.00 0.00 C ATOM 862 O PRO A 57 -11.478 -9.406 -19.733 1.00 0.00 O ATOM 863 CB PRO A 57 -12.971 -9.540 -22.194 1.00 0.00 C ATOM 864 CG PRO A 57 -13.944 -10.713 -22.397 1.00 0.00 C ATOM 865 CD PRO A 57 -13.135 -11.703 -23.243 1.00 0.00 C ATOM 0 HA PRO A 57 -10.769 -9.733 -22.326 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.249 -8.921 -21.341 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.933 -8.885 -23.064 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.248 -11.152 -21.447 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.853 -10.397 -22.908 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.503 -12.721 -23.118 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.208 -11.466 -24.304 1.00 0.00 H new ATOM 873 N GLU A 58 -11.213 -11.610 -19.977 1.00 0.00 N ATOM 874 CA GLU A 58 -10.849 -11.830 -18.580 1.00 0.00 C ATOM 875 C GLU A 58 -9.406 -12.259 -18.460 1.00 0.00 C ATOM 876 O GLU A 58 -8.733 -12.000 -17.453 1.00 0.00 O ATOM 877 CB GLU A 58 -11.807 -12.900 -17.984 1.00 0.00 C ATOM 878 CG GLU A 58 -11.314 -14.384 -17.984 1.00 0.00 C ATOM 879 CD GLU A 58 -12.257 -15.464 -18.521 1.00 0.00 C ATOM 880 OE1 GLU A 58 -12.295 -15.791 -19.699 1.00 0.00 O ATOM 881 OE2 GLU A 58 -13.049 -16.025 -17.564 1.00 0.00 O ATOM 0 H GLU A 58 -11.273 -12.466 -20.528 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.951 -10.900 -18.021 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.029 -12.618 -16.955 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.746 -12.857 -18.536 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.393 -14.428 -18.566 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.056 -14.648 -16.958 1.00 0.00 H new ATOM 888 N LEU A 59 -8.907 -12.945 -19.471 1.00 0.00 N ATOM 889 CA LEU A 59 -7.511 -13.376 -19.503 1.00 0.00 C ATOM 890 C LEU A 59 -6.652 -12.388 -20.254 1.00 0.00 C ATOM 891 O LEU A 59 -7.130 -11.613 -21.091 1.00 0.00 O ATOM 892 CB LEU A 59 -7.395 -14.798 -20.124 1.00 0.00 C ATOM 893 CG LEU A 59 -8.420 -15.877 -19.680 1.00 0.00 C ATOM 894 CD1 LEU A 59 -8.134 -17.257 -20.294 1.00 0.00 C ATOM 895 CD2 LEU A 59 -8.442 -15.986 -18.148 1.00 0.00 C ATOM 0 H LEU A 59 -9.448 -13.220 -20.290 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.146 -13.418 -18.477 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.467 -14.696 -21.207 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.397 -15.177 -19.905 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.395 -15.556 -20.046 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.882 -17.971 -19.949 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.174 -17.187 -21.381 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.143 -17.593 -19.988 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.164 -16.745 -17.848 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.451 -16.265 -17.789 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.726 -15.025 -17.719 1.00 0.00 H new ATOM 907 N THR A 60 -5.359 -12.412 -19.986 1.00 0.00 N ATOM 908 CA THR A 60 -4.402 -11.599 -20.740 1.00 0.00 C ATOM 909 C THR A 60 -3.047 -12.271 -20.770 1.00 0.00 C ATOM 910 O THR A 60 -2.967 -13.452 -21.198 1.00 0.00 O ATOM 911 CB THR A 60 -4.348 -10.149 -20.153 1.00 0.00 C ATOM 912 OG1 THR A 60 -4.248 -10.184 -18.738 1.00 0.00 O ATOM 913 CG2 THR A 60 -5.586 -9.260 -20.426 1.00 0.00 C ATOM 0 H THR A 60 -4.940 -12.984 -19.253 1.00 0.00 H new ATOM 0 HA THR A 60 -4.731 -11.512 -21.775 1.00 0.00 H new ATOM 0 HB THR A 60 -3.482 -9.722 -20.659 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.690 -9.396 -18.359 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.437 -8.280 -19.973 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.722 -9.146 -21.501 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.472 -9.728 -19.996 1.00 0.00 H new ATOM 921 N PHE A 61 -1.971 -11.650 -20.334 1.00 0.00 N ATOM 922 CA PHE A 61 -0.624 -12.219 -20.508 1.00 0.00 C ATOM 923 C PHE A 61 -0.213 -13.094 -19.348 1.00 0.00 C ATOM 924 O PHE A 61 0.965 -13.472 -19.214 1.00 0.00 O ATOM 925 CB PHE A 61 0.407 -11.063 -20.671 1.00 0.00 C ATOM 926 CG PHE A 61 1.480 -10.792 -19.606 1.00 0.00 C ATOM 927 CD1 PHE A 61 2.730 -11.416 -19.710 1.00 0.00 C ATOM 928 CD2 PHE A 61 1.254 -9.876 -18.576 1.00 0.00 C ATOM 929 CE1 PHE A 61 3.731 -11.144 -18.783 1.00 0.00 C ATOM 930 CE2 PHE A 61 2.278 -9.556 -17.688 1.00 0.00 C ATOM 931 CZ PHE A 61 3.502 -10.220 -17.767 1.00 0.00 C ATOM 0 H PHE A 61 -1.989 -10.750 -19.855 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.646 -12.845 -21.400 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.930 -11.235 -21.612 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.164 -10.142 -20.787 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.918 -12.112 -20.514 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.283 -9.415 -18.468 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.684 -11.648 -18.851 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.124 -8.794 -16.938 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.273 -10.017 -17.039 1.00 0.00 H new ATOM 941 N ARG A 62 -1.145 -13.467 -18.495 1.00 0.00 N ATOM 942 CA ARG A 62 -0.898 -14.167 -17.230 1.00 0.00 C ATOM 943 C ARG A 62 -0.445 -13.201 -16.163 1.00 0.00 C ATOM 944 O ARG A 62 -0.613 -13.491 -14.950 1.00 0.00 O ATOM 945 CB ARG A 62 0.109 -15.329 -17.431 1.00 0.00 C ATOM 946 CG ARG A 62 -0.313 -16.672 -16.772 1.00 0.00 C ATOM 947 CD ARG A 62 0.490 -17.864 -17.317 1.00 0.00 C ATOM 948 NE ARG A 62 -0.231 -18.400 -18.499 1.00 0.00 N ATOM 949 CZ ARG A 62 0.290 -18.680 -19.685 1.00 0.00 C ATOM 950 NH1 ARG A 62 1.550 -18.563 -19.981 1.00 0.00 N ATOM 951 NH2 ARG A 62 -0.510 -19.097 -20.603 1.00 0.00 N ATOM 0 H ARG A 62 -2.136 -13.289 -18.661 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.834 -14.608 -16.888 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.247 -15.492 -18.500 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.076 -15.029 -17.026 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.173 -16.605 -15.693 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.376 -16.842 -16.946 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.497 -17.551 -17.594 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.595 -18.634 -16.553 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.230 -18.570 -18.387 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.211 -18.236 -19.276 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.878 -18.798 -20.918 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.505 -19.201 -20.404 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.149 -19.323 -21.530 1.00 0.00 H new ATOM 965 N GLY A 63 0.151 -12.081 -16.503 1.00 0.00 N ATOM 966 CA GLY A 63 0.311 -10.957 -15.559 1.00 0.00 C ATOM 967 C GLY A 63 -0.951 -10.084 -15.763 1.00 0.00 C ATOM 968 O GLY A 63 -0.928 -8.895 -16.074 1.00 0.00 O ATOM 0 H GLY A 63 0.541 -11.907 -17.429 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.384 -11.312 -14.531 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.220 -10.393 -15.767 1.00 0.00 H new ATOM 972 N GLU A 64 -2.064 -10.769 -15.598 1.00 0.00 N ATOM 973 CA GLU A 64 -3.381 -10.271 -15.976 1.00 0.00 C ATOM 974 C GLU A 64 -4.135 -9.490 -14.926 1.00 0.00 C ATOM 975 O GLU A 64 -5.063 -8.733 -15.274 1.00 0.00 O ATOM 976 CB GLU A 64 -4.219 -11.536 -16.375 1.00 0.00 C ATOM 977 CG GLU A 64 -4.381 -12.643 -15.284 1.00 0.00 C ATOM 978 CD GLU A 64 -5.127 -13.927 -15.656 1.00 0.00 C ATOM 979 OE1 GLU A 64 -6.255 -13.930 -16.131 1.00 0.00 O ATOM 980 OE2 GLU A 64 -4.417 -15.063 -15.409 1.00 0.00 O ATOM 0 H GLU A 64 -2.085 -11.704 -15.191 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.232 -9.548 -16.778 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.213 -11.205 -16.674 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.756 -11.988 -17.252 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.384 -12.924 -14.946 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.893 -12.197 -14.431 1.00 0.00 H new ATOM 987 N PRO A 65 -3.840 -9.619 -13.651 1.00 0.00 N ATOM 988 CA PRO A 65 -4.546 -9.063 -12.414 1.00 0.00 C ATOM 989 C PRO A 65 -5.282 -7.737 -12.516 1.00 0.00 C ATOM 990 O PRO A 65 -5.121 -6.909 -13.416 1.00 0.00 O ATOM 991 CB PRO A 65 -3.429 -8.879 -11.385 1.00 0.00 C ATOM 992 CG PRO A 65 -2.619 -10.164 -11.623 1.00 0.00 C ATOM 993 CD PRO A 65 -2.677 -10.406 -13.131 1.00 0.00 C ATOM 0 HA PRO A 65 -5.343 -9.771 -12.185 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.842 -7.979 -11.566 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.810 -8.811 -10.366 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.590 -10.049 -11.283 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.044 -11.004 -11.074 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.750 -10.088 -13.609 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.800 -11.467 -13.348 1.00 0.00 H new ATOM 1001 N SER A 66 -6.116 -7.494 -11.505 1.00 0.00 N ATOM 1002 CA SER A 66 -7.003 -6.337 -11.450 1.00 0.00 C ATOM 1003 C SER A 66 -7.485 -6.093 -10.037 1.00 0.00 C ATOM 1004 O SER A 66 -7.488 -6.998 -9.191 1.00 0.00 O ATOM 1005 CB SER A 66 -8.186 -6.504 -12.436 1.00 0.00 C ATOM 1006 OG SER A 66 -8.790 -7.801 -12.373 1.00 0.00 O ATOM 0 H SER A 66 -6.194 -8.105 -10.692 1.00 0.00 H new ATOM 0 HA SER A 66 -6.439 -5.457 -11.759 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.940 -5.747 -12.221 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.834 -6.323 -13.451 1.00 0.00 H new ATOM 0 HG SER A 66 -9.530 -7.849 -13.014 1.00 0.00 H new ATOM 1012 N TYR A 67 -7.923 -4.880 -9.754 1.00 0.00 N ATOM 1013 CA TYR A 67 -8.281 -4.478 -8.396 1.00 0.00 C ATOM 1014 C TYR A 67 -9.424 -3.486 -8.408 1.00 0.00 C ATOM 1015 O TYR A 67 -9.941 -3.084 -9.455 1.00 0.00 O ATOM 1016 CB TYR A 67 -7.066 -3.827 -7.669 1.00 0.00 C ATOM 1017 CG TYR A 67 -5.900 -4.764 -7.332 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -5.131 -5.343 -8.346 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -5.608 -5.054 -5.995 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -4.128 -6.257 -8.027 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -4.623 -5.986 -5.680 1.00 0.00 C ATOM 1022 CZ TYR A 67 -3.895 -6.598 -6.698 1.00 0.00 C ATOM 1023 OH TYR A 67 -2.952 -7.539 -6.392 1.00 0.00 O ATOM 0 H TYR A 67 -8.042 -4.145 -10.451 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.585 -5.379 -7.864 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.686 -3.018 -8.293 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.422 -3.376 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.314 -5.082 -9.378 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.148 -4.553 -5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.532 -6.700 -8.811 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.424 -6.234 -4.648 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.913 -7.659 -5.420 1.00 0.00 H new ATOM 1033 N ASP A 68 -9.856 -3.103 -7.221 1.00 0.00 N ATOM 1034 CA ASP A 68 -10.852 -2.051 -7.036 1.00 0.00 C ATOM 1035 C ASP A 68 -10.540 -1.243 -5.799 1.00 0.00 C ATOM 1036 O ASP A 68 -11.068 -1.525 -4.706 1.00 0.00 O ATOM 1037 CB ASP A 68 -12.277 -2.661 -6.985 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.385 -1.777 -6.395 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -13.146 -0.442 -6.565 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -14.381 -2.232 -5.850 1.00 0.00 O ATOM 0 H ASP A 68 -9.526 -3.514 -6.348 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.817 -1.372 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.566 -2.937 -7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.232 -3.583 -6.405 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.682 -0.245 -5.907 1.00 0.00 N ATOM 1046 CA LEU A 69 -9.173 0.458 -4.732 1.00 0.00 C ATOM 1047 C LEU A 69 -9.301 1.962 -4.776 1.00 0.00 C ATOM 1048 O LEU A 69 -8.319 2.677 -5.074 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.663 0.087 -4.511 1.00 0.00 C ATOM 1050 CG LEU A 69 -7.319 -0.981 -3.445 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -7.496 -0.462 -2.004 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -8.182 -2.234 -3.646 1.00 0.00 C ATOM 0 H LEU A 69 -9.320 0.101 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.803 0.126 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.261 -0.254 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.131 1.001 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.266 -1.227 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.241 -1.253 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.841 0.394 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.532 -0.160 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.928 -2.976 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.235 -1.969 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.996 -2.649 -4.637 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.448 2.517 -4.438 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.566 3.941 -4.145 1.00 0.00 C ATOM 1066 C GLN A 70 -10.320 4.198 -2.668 1.00 0.00 C ATOM 1067 O GLN A 70 -10.691 5.221 -2.083 1.00 0.00 O ATOM 1068 CB GLN A 70 -11.965 4.438 -4.565 1.00 0.00 C ATOM 1069 CG GLN A 70 -13.126 3.391 -4.578 1.00 0.00 C ATOM 1070 CD GLN A 70 -14.489 3.800 -5.154 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -14.618 4.072 -6.337 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -15.531 3.889 -4.367 1.00 0.00 N ATOM 0 H GLN A 70 -11.324 2.001 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.814 4.491 -4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.250 5.249 -3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.885 4.865 -5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.779 2.522 -5.137 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.287 3.065 -3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.442 3.666 -3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.432 4.182 -4.745 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.678 3.241 -2.027 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.310 3.250 -0.613 1.00 0.00 C ATOM 1083 C ASN A 71 -7.850 3.575 -0.411 1.00 0.00 C ATOM 1084 O ASN A 71 -7.440 4.113 0.626 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.631 1.837 -0.032 1.00 0.00 C ATOM 1086 CG ASN A 71 -11.012 1.648 0.602 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -11.175 1.310 1.764 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -12.066 1.836 -0.151 1.00 0.00 N ATOM 0 H ASN A 71 -9.380 2.387 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.878 4.025 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.523 1.107 -0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.877 1.599 0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.000 1.700 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.953 2.119 -1.125 1.00 0.00 H new ATOM 1095 N ALA A 72 -7.028 3.227 -1.385 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.574 3.323 -1.271 1.00 0.00 C ATOM 1097 C ALA A 72 -5.117 4.748 -1.045 1.00 0.00 C ATOM 1098 O ALA A 72 -5.898 5.690 -0.885 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.959 2.711 -2.546 1.00 0.00 C ATOM 0 H ALA A 72 -7.347 2.867 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.234 2.768 -0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.872 2.769 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.263 1.668 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.307 3.263 -3.419 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.805 4.924 -1.058 1.00 0.00 N ATOM 1106 CA ALA A 73 -3.169 6.197 -0.733 1.00 0.00 C ATOM 1107 C ALA A 73 -2.242 6.629 -1.845 1.00 0.00 C ATOM 1108 O ALA A 73 -2.363 6.186 -2.996 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.448 6.027 0.616 1.00 0.00 C ATOM 0 H ALA A 73 -3.144 4.184 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.908 6.993 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.961 6.963 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.173 5.758 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.699 5.239 0.532 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.284 7.480 -1.529 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.413 8.068 -2.544 1.00 0.00 C ATOM 1117 C ILE A 74 1.006 8.182 -2.043 1.00 0.00 C ATOM 1118 O ILE A 74 1.258 8.368 -0.844 1.00 0.00 O ATOM 1119 CB ILE A 74 -0.973 9.460 -3.046 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -2.385 9.381 -3.712 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -0.007 10.184 -4.034 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -3.312 10.588 -3.467 1.00 0.00 C ATOM 0 H ILE A 74 -1.084 7.784 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.401 7.398 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.060 10.038 -2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.252 9.261 -4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.886 8.483 -3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.446 11.133 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.947 10.369 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.154 9.556 -4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.263 10.426 -3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.487 10.701 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.843 11.492 -3.856 1.00 0.00 H new ATOM 1134 N GLU A 75 1.965 8.087 -2.947 1.00 0.00 N ATOM 1135 CA GLU A 75 3.366 8.324 -2.599 1.00 0.00 C ATOM 1136 C GLU A 75 4.238 8.424 -3.830 1.00 0.00 C ATOM 1137 O GLU A 75 3.931 7.909 -4.910 1.00 0.00 O ATOM 1138 CB GLU A 75 3.838 7.171 -1.670 1.00 0.00 C ATOM 1139 CG GLU A 75 5.374 6.907 -1.557 1.00 0.00 C ATOM 1140 CD GLU A 75 5.865 5.924 -0.489 1.00 0.00 C ATOM 1141 OE1 GLU A 75 5.209 4.957 -0.124 1.00 0.00 O ATOM 1142 OE2 GLU A 75 7.093 6.229 0.013 1.00 0.00 O ATOM 0 H GLU A 75 1.806 7.849 -3.926 1.00 0.00 H new ATOM 0 HA GLU A 75 3.454 9.279 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.458 7.372 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.364 6.251 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.722 6.547 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.864 7.864 -1.378 1.00 0.00 H new ATOM 1149 N ILE A 76 5.357 9.114 -3.675 1.00 0.00 N ATOM 1150 CA ILE A 76 6.379 9.209 -4.712 1.00 0.00 C ATOM 1151 C ILE A 76 7.720 8.756 -4.187 1.00 0.00 C ATOM 1152 O ILE A 76 8.030 8.890 -2.994 1.00 0.00 O ATOM 1153 CB ILE A 76 6.443 10.668 -5.321 1.00 0.00 C ATOM 1154 CG1 ILE A 76 5.320 10.991 -6.360 1.00 0.00 C ATOM 1155 CG2 ILE A 76 7.821 10.991 -5.978 1.00 0.00 C ATOM 1156 CD1 ILE A 76 3.896 11.136 -5.786 1.00 0.00 C ATOM 0 H ILE A 76 5.585 9.627 -2.823 1.00 0.00 H new ATOM 0 HA ILE A 76 6.104 8.537 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 76 6.288 11.302 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.581 11.917 -6.872 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.310 10.202 -7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.805 12.005 -6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.609 10.909 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.013 10.285 -6.786 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.199 11.359 -6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.603 10.205 -5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.878 11.946 -5.057 1.00 0.00 H new ATOM 1168 N ALA A 77 8.537 8.191 -5.055 1.00 0.00 N ATOM 1169 CA ALA A 77 9.801 7.584 -4.642 1.00 0.00 C ATOM 1170 C ALA A 77 10.732 8.615 -4.050 1.00 0.00 C ATOM 1171 O ALA A 77 10.858 8.754 -2.826 1.00 0.00 O ATOM 1172 CB ALA A 77 10.400 6.873 -5.867 1.00 0.00 C ATOM 0 H ALA A 77 8.352 8.136 -6.057 1.00 0.00 H new ATOM 0 HA ALA A 77 9.638 6.852 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.347 6.408 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.708 6.107 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.570 7.599 -6.662 1.00 0.00 H new ATOM 1236 N LYS A 82 16.724 5.556 -10.619 1.00 0.00 N ATOM 1237 CA LYS A 82 15.834 5.328 -11.759 1.00 0.00 C ATOM 1238 C LYS A 82 14.386 5.411 -11.337 1.00 0.00 C ATOM 1239 O LYS A 82 13.548 6.063 -11.971 1.00 0.00 O ATOM 1240 CB LYS A 82 16.154 3.941 -12.383 1.00 0.00 C ATOM 1241 CG LYS A 82 16.917 2.999 -11.415 1.00 0.00 C ATOM 1242 CD LYS A 82 17.501 1.741 -12.060 1.00 0.00 C ATOM 1243 CE LYS A 82 17.898 0.744 -10.962 1.00 0.00 C ATOM 1244 NZ LYS A 82 18.264 1.477 -9.738 1.00 0.00 N ATOM 0 HA LYS A 82 15.999 6.104 -12.506 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.223 3.463 -12.687 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.749 4.084 -13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.728 3.560 -10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.239 2.698 -10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.770 1.289 -12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.371 1.999 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.071 0.064 -10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.737 0.134 -11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.722 0.827 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.921 2.247 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.408 1.875 -9.303 1.00 0.00 H new ATOM 1258 N LYS A 83 14.067 4.737 -10.247 1.00 0.00 N ATOM 1259 CA LYS A 83 12.741 4.784 -9.639 1.00 0.00 C ATOM 1260 C LYS A 83 12.466 6.109 -8.966 1.00 0.00 C ATOM 1261 O LYS A 83 11.357 6.326 -8.433 1.00 0.00 O ATOM 1262 CB LYS A 83 12.614 3.626 -8.608 1.00 0.00 C ATOM 1263 CG LYS A 83 12.871 2.228 -9.220 1.00 0.00 C ATOM 1264 CD LYS A 83 12.399 2.050 -10.668 1.00 0.00 C ATOM 1265 CE LYS A 83 13.167 0.885 -11.305 1.00 0.00 C ATOM 1266 NZ LYS A 83 13.172 1.036 -12.771 1.00 0.00 N ATOM 0 H LYS A 83 14.724 4.135 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 83 12.002 4.669 -10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.320 3.794 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.615 3.646 -8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.940 2.021 -9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.376 1.481 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.327 1.853 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.568 2.966 -11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.190 0.862 -10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.704 -0.063 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.310 0.106 -13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.264 1.437 -13.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.945 1.672 -13.052 1.00 0.00 H new ATOM 1280 N LYS A 84 13.402 7.039 -8.971 1.00 0.00 N ATOM 1281 CA LYS A 84 13.156 8.398 -8.468 1.00 0.00 C ATOM 1282 C LYS A 84 12.473 9.325 -9.456 1.00 0.00 C ATOM 1283 O LYS A 84 12.613 10.553 -9.408 1.00 0.00 O ATOM 1284 CB LYS A 84 14.517 9.011 -8.026 1.00 0.00 C ATOM 1285 CG LYS A 84 14.363 10.288 -7.164 1.00 0.00 C ATOM 1286 CD LYS A 84 15.666 11.036 -6.870 1.00 0.00 C ATOM 1287 CE LYS A 84 16.190 11.670 -8.165 1.00 0.00 C ATOM 1288 NZ LYS A 84 17.250 12.642 -7.842 1.00 0.00 N ATOM 0 H LYS A 84 14.349 6.887 -9.318 1.00 0.00 H new ATOM 0 HA LYS A 84 12.461 8.304 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.077 8.265 -7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 84 15.106 9.248 -8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.678 10.968 -7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.898 10.014 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.495 11.806 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.408 10.350 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.580 10.898 -8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.377 12.165 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.606 13.072 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.864 13.384 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.029 12.156 -7.354 1.00 0.00 H new ATOM 1302 N HIS A 85 11.703 8.751 -10.357 1.00 0.00 N ATOM 1303 CA HIS A 85 10.802 9.476 -11.251 1.00 0.00 C ATOM 1304 C HIS A 85 9.502 8.703 -11.376 1.00 0.00 C ATOM 1305 O HIS A 85 8.850 8.622 -12.421 1.00 0.00 O ATOM 1306 CB HIS A 85 11.499 9.586 -12.616 1.00 0.00 C ATOM 1307 CG HIS A 85 12.868 10.193 -12.526 1.00 0.00 C ATOM 1308 ND1 HIS A 85 13.151 11.539 -12.300 1.00 0.00 N ATOM 1309 CD2 HIS A 85 14.030 9.447 -12.666 1.00 0.00 C ATOM 1310 CE1 HIS A 85 14.497 11.499 -12.326 1.00 0.00 C ATOM 1311 NE2 HIS A 85 15.098 10.296 -12.535 1.00 0.00 N ATOM 0 H HIS A 85 11.680 7.741 -10.497 1.00 0.00 H new ATOM 0 HA HIS A 85 10.575 10.471 -10.868 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.576 8.593 -13.060 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.884 10.188 -13.285 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.083 8.384 -12.847 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.082 12.396 -12.185 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.094 10.080 -12.582 1.00 0.00 H new ATOM 1319 N VAL A 86 9.122 8.087 -10.268 1.00 0.00 N ATOM 1320 CA VAL A 86 8.012 7.144 -10.203 1.00 0.00 C ATOM 1321 C VAL A 86 6.966 7.600 -9.214 1.00 0.00 C ATOM 1322 O VAL A 86 7.244 8.376 -8.287 1.00 0.00 O ATOM 1323 CB VAL A 86 8.569 5.714 -9.812 1.00 0.00 C ATOM 1324 CG1 VAL A 86 8.559 5.362 -8.298 1.00 0.00 C ATOM 1325 CG2 VAL A 86 7.840 4.540 -10.508 1.00 0.00 C ATOM 0 H VAL A 86 9.584 8.230 -9.370 1.00 0.00 H new ATOM 0 HA VAL A 86 7.533 7.092 -11.181 1.00 0.00 H new ATOM 0 HB VAL A 86 9.598 5.816 -10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 86 8.963 4.360 -8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.171 6.081 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.536 5.398 -7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.281 3.596 -10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.784 4.557 -10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.941 4.639 -11.589 1.00 0.00 H new ATOM 1335 N LEU A 87 5.748 7.117 -9.372 1.00 0.00 N ATOM 1336 CA LEU A 87 4.678 7.360 -8.406 1.00 0.00 C ATOM 1337 C LEU A 87 4.092 6.057 -7.916 1.00 0.00 C ATOM 1338 O LEU A 87 4.270 5.000 -8.537 1.00 0.00 O ATOM 1339 CB LEU A 87 3.578 8.269 -9.020 1.00 0.00 C ATOM 1340 CG LEU A 87 3.074 7.929 -10.451 1.00 0.00 C ATOM 1341 CD1 LEU A 87 1.585 8.275 -10.576 1.00 0.00 C ATOM 1342 CD2 LEU A 87 3.870 8.657 -11.546 1.00 0.00 C ATOM 0 H LEU A 87 5.467 6.546 -10.169 1.00 0.00 H new ATOM 0 HA LEU A 87 5.105 7.880 -7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.719 8.255 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.956 9.291 -9.032 1.00 0.00 H new ATOM 0 HG LEU A 87 3.224 6.859 -10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.239 8.034 -11.581 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.015 7.698 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.442 9.339 -10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.476 8.383 -12.525 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.779 9.734 -11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.920 8.370 -11.484 1.00 0.00 H new ATOM 1354 N ARG A 88 3.384 6.097 -6.802 1.00 0.00 N ATOM 1355 CA ARG A 88 2.896 4.878 -6.158 1.00 0.00 C ATOM 1356 C ARG A 88 1.670 5.136 -5.313 1.00 0.00 C ATOM 1357 O ARG A 88 1.646 6.024 -4.451 1.00 0.00 O ATOM 1358 CB ARG A 88 4.045 4.277 -5.300 1.00 0.00 C ATOM 1359 CG ARG A 88 5.274 3.779 -6.106 1.00 0.00 C ATOM 1360 CD ARG A 88 6.604 4.110 -5.417 1.00 0.00 C ATOM 1361 NE ARG A 88 6.782 3.182 -4.272 1.00 0.00 N ATOM 1362 CZ ARG A 88 7.744 3.256 -3.362 1.00 0.00 C ATOM 1363 NH1 ARG A 88 8.672 4.167 -3.348 1.00 0.00 N ATOM 1364 NH2 ARG A 88 7.755 2.364 -2.435 1.00 0.00 N ATOM 0 H ARG A 88 3.131 6.959 -6.319 1.00 0.00 H new ATOM 0 HA ARG A 88 2.596 4.168 -6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.378 5.031 -4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.648 3.444 -4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.200 2.701 -6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.261 4.230 -7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.431 4.008 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.605 5.144 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 88 6.107 2.423 -4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.691 4.887 -4.070 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.381 4.161 -2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.041 1.636 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.478 2.385 -1.716 1.00 0.00 H new ATOM 1378 N VAL A 89 0.620 4.371 -5.555 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.566 4.398 -4.700 1.00 0.00 C ATOM 1380 C VAL A 89 -0.667 3.118 -3.902 1.00 0.00 C ATOM 1381 O VAL A 89 -0.538 2.009 -4.440 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.872 4.634 -5.558 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -1.813 4.159 -7.037 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -3.142 3.983 -4.951 1.00 0.00 C ATOM 0 H VAL A 89 0.559 3.720 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.470 5.230 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.929 5.722 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.764 4.372 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.012 4.685 -7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.622 3.086 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.998 4.187 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.996 2.906 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.325 4.398 -3.960 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.923 3.239 -2.614 1.00 0.00 N ATOM 1395 CA LYS A 90 -0.876 2.093 -1.704 1.00 0.00 C ATOM 1396 C LYS A 90 -2.260 1.702 -1.239 1.00 0.00 C ATOM 1397 O LYS A 90 -2.986 2.468 -0.597 1.00 0.00 O ATOM 1398 CB LYS A 90 0.060 2.441 -0.513 1.00 0.00 C ATOM 1399 CG LYS A 90 -0.358 1.884 0.869 1.00 0.00 C ATOM 1400 CD LYS A 90 0.272 2.608 2.065 1.00 0.00 C ATOM 1401 CE LYS A 90 -0.816 2.926 3.100 1.00 0.00 C ATOM 1402 NZ LYS A 90 -0.218 2.946 4.447 1.00 0.00 N ATOM 0 H LYS A 90 -1.168 4.121 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.475 1.226 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.059 2.072 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.130 3.526 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.443 1.941 0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.090 0.829 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.046 1.986 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.755 3.528 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.274 3.890 2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.608 2.179 3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.953 3.161 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.199 2.016 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.523 3.675 4.487 1.00 0.00 H new ATOM 1416 N LEU A 91 -2.661 0.483 -1.582 1.00 0.00 N ATOM 1417 CA LEU A 91 -3.927 -0.063 -1.109 1.00 0.00 C ATOM 1418 C LEU A 91 -3.911 -0.213 0.400 1.00 0.00 C ATOM 1419 O LEU A 91 -3.071 0.338 1.118 1.00 0.00 O ATOM 1420 CB LEU A 91 -4.267 -1.444 -1.751 1.00 0.00 C ATOM 1421 CG LEU A 91 -3.897 -1.773 -3.228 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -2.388 -2.010 -3.389 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -4.653 -3.022 -3.744 1.00 0.00 C ATOM 0 H LEU A 91 -2.129 -0.145 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.697 0.647 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.795 -2.206 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.345 -1.579 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.194 -0.906 -3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.165 -2.237 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.845 -1.114 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.082 -2.847 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.368 -3.219 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.397 -3.883 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.727 -2.845 -3.691 1.00 0.00 H new ATOM 1435 N ALA A 92 -4.853 -0.999 0.891 1.00 0.00 N ATOM 1436 CA ALA A 92 -4.877 -1.420 2.287 1.00 0.00 C ATOM 1437 C ALA A 92 -4.762 -2.925 2.390 1.00 0.00 C ATOM 1438 O ALA A 92 -5.304 -3.558 3.303 1.00 0.00 O ATOM 1439 CB ALA A 92 -6.165 -0.874 2.925 1.00 0.00 C ATOM 0 H ALA A 92 -5.625 -1.366 0.335 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.022 -1.018 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.208 -1.175 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.170 0.214 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.031 -1.273 2.396 1.00 0.00 H new ATOM 1445 N ASN A 93 -4.072 -3.529 1.437 1.00 0.00 N ATOM 1446 CA ASN A 93 -3.811 -4.967 1.473 1.00 0.00 C ATOM 1447 C ASN A 93 -2.342 -5.265 1.283 1.00 0.00 C ATOM 1448 O ASN A 93 -1.962 -6.342 0.794 1.00 0.00 O ATOM 1449 CB ASN A 93 -4.662 -5.686 0.384 1.00 0.00 C ATOM 1450 CG ASN A 93 -4.544 -5.174 -1.056 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -3.587 -4.518 -1.442 1.00 0.00 O ATOM 1452 ND2 ASN A 93 -5.490 -5.471 -1.905 1.00 0.00 N ATOM 0 H ASN A 93 -3.680 -3.050 0.626 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.097 -5.343 2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.393 -6.742 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.709 -5.623 0.679 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.424 -5.157 -2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.296 -6.017 -1.600 1.00 0.00 H new ATOM 1459 N GLY A 94 -1.477 -4.347 1.678 1.00 0.00 N ATOM 1460 CA GLY A 94 -0.036 -4.577 1.634 1.00 0.00 C ATOM 1461 C GLY A 94 0.571 -4.273 0.287 1.00 0.00 C ATOM 1462 O GLY A 94 1.801 -4.104 0.166 1.00 0.00 O ATOM 0 H GLY A 94 -1.745 -3.430 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.448 -3.960 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.168 -5.616 1.892 1.00 0.00 H new ATOM 1466 N ALA A 95 -0.233 -4.166 -0.753 1.00 0.00 N ATOM 1467 CA ALA A 95 0.280 -4.030 -2.118 1.00 0.00 C ATOM 1468 C ALA A 95 0.498 -2.584 -2.492 1.00 0.00 C ATOM 1469 O ALA A 95 -0.084 -1.664 -1.896 1.00 0.00 O ATOM 1470 CB ALA A 95 -0.724 -4.739 -3.047 1.00 0.00 C ATOM 0 H ALA A 95 -1.251 -4.170 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 95 1.262 -4.494 -2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.381 -4.663 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.800 -5.790 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.702 -4.267 -2.954 1.00 0.00 H new ATOM 1476 N LEU A 96 1.363 -2.340 -3.459 1.00 0.00 N ATOM 1477 CA LEU A 96 1.525 -1.002 -4.027 1.00 0.00 C ATOM 1478 C LEU A 96 1.533 -1.049 -5.536 1.00 0.00 C ATOM 1479 O LEU A 96 2.011 -2.017 -6.150 1.00 0.00 O ATOM 1480 CB LEU A 96 2.817 -0.328 -3.485 1.00 0.00 C ATOM 1481 CG LEU A 96 3.095 -0.400 -1.958 1.00 0.00 C ATOM 1482 CD1 LEU A 96 4.034 -1.557 -1.580 1.00 0.00 C ATOM 1483 CD2 LEU A 96 3.684 0.928 -1.466 1.00 0.00 C ATOM 0 H LEU A 96 1.969 -3.049 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 96 0.671 -0.399 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.667 -0.775 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.789 0.724 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 96 2.138 -0.587 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.193 -1.559 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.585 -2.503 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.990 -1.430 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.875 0.867 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.618 1.128 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.978 1.734 -1.663 1.00 0.00 H new ATOM 1495 N PHE A 97 0.989 -0.029 -6.176 1.00 0.00 N ATOM 1496 CA PHE A 97 1.067 0.100 -7.631 1.00 0.00 C ATOM 1497 C PHE A 97 1.992 1.228 -8.023 1.00 0.00 C ATOM 1498 O PHE A 97 1.618 2.407 -8.022 1.00 0.00 O ATOM 1499 CB PHE A 97 -0.345 0.375 -8.236 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.475 -0.547 -7.749 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.231 -1.921 -7.614 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.732 -0.035 -7.421 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.241 -2.773 -7.184 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -3.741 -0.890 -6.982 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.500 -2.260 -6.882 1.00 0.00 C ATOM 0 H PHE A 97 0.485 0.728 -5.714 1.00 0.00 H new ATOM 0 HA PHE A 97 1.456 -0.840 -8.022 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.621 1.405 -8.012 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.277 0.292 -9.321 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.254 -2.319 -7.845 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.922 1.025 -7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.050 -3.831 -7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.710 -0.492 -6.719 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.292 -2.925 -6.570 1.00 0.00 H new ATOM 1515 N LEU A 98 3.221 0.884 -8.366 1.00 0.00 N ATOM 1516 CA LEU A 98 4.247 1.861 -8.731 1.00 0.00 C ATOM 1517 C LEU A 98 4.168 2.203 -10.200 1.00 0.00 C ATOM 1518 O LEU A 98 3.676 1.400 -11.015 1.00 0.00 O ATOM 1519 CB LEU A 98 5.668 1.338 -8.368 1.00 0.00 C ATOM 1520 CG LEU A 98 5.833 0.456 -7.101 1.00 0.00 C ATOM 1521 CD1 LEU A 98 7.300 0.458 -6.647 1.00 0.00 C ATOM 1522 CD2 LEU A 98 4.931 0.905 -5.940 1.00 0.00 C ATOM 0 H LEU A 98 3.543 -0.083 -8.401 1.00 0.00 H new ATOM 0 HA LEU A 98 4.061 2.770 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.038 0.767 -9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.321 2.204 -8.256 1.00 0.00 H new ATOM 0 HG LEU A 98 5.526 -0.553 -7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.406 -0.163 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.928 0.061 -7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.608 1.478 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.090 0.252 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.176 1.931 -5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.887 0.851 -6.249 1.00 0.00 H new ATOM 1534 N LEU A 99 4.626 3.379 -10.590 1.00 0.00 N ATOM 1535 CA LEU A 99 4.464 3.846 -11.967 1.00 0.00 C ATOM 1536 C LEU A 99 5.695 4.566 -12.469 1.00 0.00 C ATOM 1537 O LEU A 99 5.925 5.743 -12.140 1.00 0.00 O ATOM 1538 CB LEU A 99 3.211 4.762 -12.092 1.00 0.00 C ATOM 1539 CG LEU A 99 2.114 4.680 -10.995 1.00 0.00 C ATOM 1540 CD1 LEU A 99 0.940 5.599 -11.375 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.587 3.254 -10.766 1.00 0.00 C ATOM 0 H LEU A 99 5.114 4.033 -9.977 1.00 0.00 H new ATOM 0 HA LEU A 99 4.322 2.965 -12.592 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.559 5.794 -12.135 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.738 4.545 -13.050 1.00 0.00 H new ATOM 0 HG LEU A 99 2.578 5.002 -10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.170 5.542 -10.606 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.294 6.626 -11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.523 5.280 -12.330 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.824 3.269 -9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.154 2.873 -11.691 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.408 2.608 -10.457 1.00 0.00 H new ATOM 1553 N GLN A 100 6.497 3.913 -13.288 1.00 0.00 N ATOM 1554 CA GLN A 100 7.610 4.578 -13.965 1.00 0.00 C ATOM 1555 C GLN A 100 7.245 4.883 -15.401 1.00 0.00 C ATOM 1556 O GLN A 100 7.324 4.026 -16.288 1.00 0.00 O ATOM 1557 CB GLN A 100 8.867 3.685 -13.892 1.00 0.00 C ATOM 1558 CG GLN A 100 10.089 4.148 -14.756 1.00 0.00 C ATOM 1559 CD GLN A 100 11.488 3.614 -14.427 1.00 0.00 C ATOM 1560 OE1 GLN A 100 11.946 2.643 -15.008 1.00 0.00 O ATOM 1561 NE2 GLN A 100 12.223 4.216 -13.527 1.00 0.00 N ATOM 0 H GLN A 100 6.404 2.921 -13.505 1.00 0.00 H new ATOM 0 HA GLN A 100 7.824 5.523 -13.466 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.185 3.624 -12.851 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.591 2.677 -14.200 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.875 3.887 -15.792 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.133 5.236 -14.704 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.858 5.029 -13.031 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.161 3.872 -13.322 1.00 0.00 H new ATOM 1570 N ALA A 101 6.817 6.108 -15.644 1.00 0.00 N ATOM 1571 CA ALA A 101 6.276 6.503 -16.942 1.00 0.00 C ATOM 1572 C ALA A 101 7.376 6.809 -17.932 1.00 0.00 C ATOM 1573 O ALA A 101 8.571 6.734 -17.627 1.00 0.00 O ATOM 1574 CB ALA A 101 5.337 7.699 -16.709 1.00 0.00 C ATOM 0 H ALA A 101 6.832 6.859 -14.953 1.00 0.00 H new ATOM 0 HA ALA A 101 5.712 5.683 -17.387 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.914 8.021 -17.661 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.532 7.404 -16.036 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.898 8.521 -16.265 1.00 0.00 H new ATOM 1580 N HIS A 102 6.980 7.175 -19.138 1.00 0.00 N ATOM 1581 CA HIS A 102 7.919 7.345 -20.242 1.00 0.00 C ATOM 1582 C HIS A 102 8.457 8.751 -20.325 1.00 0.00 C ATOM 1583 O HIS A 102 9.685 8.977 -20.297 1.00 0.00 O ATOM 1584 CB HIS A 102 7.133 7.010 -21.526 1.00 0.00 C ATOM 1585 CG HIS A 102 8.041 6.610 -22.653 1.00 0.00 C ATOM 1586 ND1 HIS A 102 8.967 5.569 -22.622 1.00 0.00 N ATOM 1587 CD2 HIS A 102 8.052 7.263 -23.878 1.00 0.00 C ATOM 1588 CE1 HIS A 102 9.482 5.683 -23.860 1.00 0.00 C ATOM 1589 NE2 HIS A 102 8.992 6.660 -24.672 1.00 0.00 N ATOM 0 H HIS A 102 6.008 7.362 -19.383 1.00 0.00 H new ATOM 0 HA HIS A 102 8.783 6.695 -20.100 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.432 6.201 -21.321 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.543 7.876 -21.826 1.00 0.00 H new ATOM 0 HD2 HIS A 102 7.429 8.100 -24.156 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.262 5.018 -24.200 1.00 0.00 H new ATOM 0 HE2 HIS A 102 9.258 6.886 -25.630 1.00 0.00 H new ATOM 1597 N ASP A 103 7.589 9.737 -20.451 1.00 0.00 N ATOM 1598 CA ASP A 103 8.014 11.099 -20.762 1.00 0.00 C ATOM 1599 C ASP A 103 8.307 11.906 -19.515 1.00 0.00 C ATOM 1600 O ASP A 103 9.441 12.051 -19.051 1.00 0.00 O ATOM 1601 CB ASP A 103 6.941 11.799 -21.640 1.00 0.00 C ATOM 1602 CG ASP A 103 7.024 11.556 -23.153 1.00 0.00 C ATOM 1603 OD1 ASP A 103 6.471 10.619 -23.710 1.00 0.00 O ATOM 1604 OD2 ASP A 103 7.782 12.493 -23.799 1.00 0.00 O ATOM 0 H ASP A 103 6.581 9.625 -20.343 1.00 0.00 H new ATOM 0 HA ASP A 103 8.948 11.039 -21.320 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.958 11.477 -21.297 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.004 12.873 -21.464 1.00 0.00 H new ATOM 1609 N ASP A 104 7.243 12.427 -18.932 1.00 0.00 N ATOM 1610 CA ASP A 104 7.288 13.393 -17.842 1.00 0.00 C ATOM 1611 C ASP A 104 5.956 14.105 -17.714 1.00 0.00 C ATOM 1612 O ASP A 104 5.533 14.521 -16.631 1.00 0.00 O ATOM 1613 CB ASP A 104 8.448 14.403 -18.045 1.00 0.00 C ATOM 1614 CG ASP A 104 9.709 14.208 -17.194 1.00 0.00 C ATOM 1615 OD1 ASP A 104 9.962 13.171 -16.599 1.00 0.00 O ATOM 1616 OD2 ASP A 104 10.511 15.317 -17.176 1.00 0.00 O ATOM 0 H ASP A 104 6.292 12.184 -19.211 1.00 0.00 H new ATOM 0 HA ASP A 104 7.478 12.857 -16.912 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.741 14.373 -19.094 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.062 15.404 -17.851 1.00 0.00 H new ATOM 1621 N THR A 105 5.293 14.271 -18.847 1.00 0.00 N ATOM 1622 CA THR A 105 3.970 14.888 -18.881 1.00 0.00 C ATOM 1623 C THR A 105 2.896 13.858 -18.616 1.00 0.00 C ATOM 1624 O THR A 105 1.821 14.157 -18.077 1.00 0.00 O ATOM 1625 CB THR A 105 3.724 15.613 -20.248 1.00 0.00 C ATOM 1626 OG1 THR A 105 4.447 16.836 -20.299 1.00 0.00 O ATOM 1627 CG2 THR A 105 2.265 16.013 -20.556 1.00 0.00 C ATOM 0 H THR A 105 5.648 13.987 -19.760 1.00 0.00 H new ATOM 0 HA THR A 105 3.925 15.639 -18.092 1.00 0.00 H new ATOM 0 HB THR A 105 4.042 14.865 -20.974 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.285 17.276 -21.159 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.220 16.506 -21.527 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.639 15.121 -20.573 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.904 16.695 -19.786 1.00 0.00 H new ATOM 1635 N GLU A 106 3.186 12.620 -18.955 1.00 0.00 N ATOM 1636 CA GLU A 106 2.317 11.490 -18.620 1.00 0.00 C ATOM 1637 C GLU A 106 2.657 10.998 -17.230 1.00 0.00 C ATOM 1638 O GLU A 106 1.797 10.502 -16.494 1.00 0.00 O ATOM 1639 CB GLU A 106 2.527 10.403 -19.722 1.00 0.00 C ATOM 1640 CG GLU A 106 3.140 9.048 -19.224 1.00 0.00 C ATOM 1641 CD GLU A 106 2.740 7.756 -19.933 1.00 0.00 C ATOM 1642 OE1 GLU A 106 1.638 7.586 -20.441 1.00 0.00 O ATOM 1643 OE2 GLU A 106 3.722 6.811 -19.953 1.00 0.00 O ATOM 0 H GLU A 106 4.027 12.359 -19.470 1.00 0.00 H new ATOM 0 HA GLU A 106 1.263 11.766 -18.603 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.565 10.196 -20.192 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.177 10.814 -20.494 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.225 9.135 -19.283 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.886 8.938 -18.170 1.00 0.00 H new ATOM 1650 N MET A 107 3.923 11.108 -16.860 1.00 0.00 N ATOM 1651 CA MET A 107 4.383 10.587 -15.570 1.00 0.00 C ATOM 1652 C MET A 107 3.752 11.366 -14.439 1.00 0.00 C ATOM 1653 O MET A 107 3.281 10.856 -13.416 1.00 0.00 O ATOM 1654 CB MET A 107 5.932 10.654 -15.481 1.00 0.00 C ATOM 1655 CG MET A 107 6.508 11.028 -14.097 1.00 0.00 C ATOM 1656 SD MET A 107 6.947 12.773 -14.068 1.00 0.00 S ATOM 1657 CE MET A 107 7.174 12.965 -12.294 1.00 0.00 C ATOM 0 H MET A 107 4.649 11.548 -17.425 1.00 0.00 H new ATOM 0 HA MET A 107 4.079 9.544 -15.485 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.337 9.685 -15.773 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.288 11.381 -16.211 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.775 10.815 -13.319 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.386 10.419 -13.882 1.00 0.00 H new ATOM 0 HE1 MET A 107 7.454 13.995 -12.072 1.00 0.00 H new ATOM 0 HE2 MET A 107 6.244 12.723 -11.780 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.962 12.294 -11.953 1.00 0.00 H new ATOM 1667 N SER A 108 3.723 12.684 -14.622 1.00 0.00 N ATOM 1668 CA SER A 108 3.050 13.576 -13.684 1.00 0.00 C ATOM 1669 C SER A 108 1.547 13.455 -13.811 1.00 0.00 C ATOM 1670 O SER A 108 0.819 13.585 -12.817 1.00 0.00 O ATOM 1671 CB SER A 108 3.530 15.037 -13.869 1.00 0.00 C ATOM 1672 OG SER A 108 4.783 15.294 -13.222 1.00 0.00 O ATOM 0 H SER A 108 4.159 13.158 -15.413 1.00 0.00 H new ATOM 0 HA SER A 108 3.316 13.274 -12.671 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.625 15.252 -14.933 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.775 15.716 -13.473 1.00 0.00 H new ATOM 0 HG SER A 108 5.438 14.620 -13.498 1.00 0.00 H new ATOM 1678 N GLN A 109 1.048 13.179 -15.001 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.380 12.924 -15.197 1.00 0.00 C ATOM 1680 C GLN A 109 -0.787 11.589 -14.622 1.00 0.00 C ATOM 1681 O GLN A 109 -1.985 11.343 -14.367 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.692 12.992 -16.707 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.905 14.419 -17.311 1.00 0.00 C ATOM 1684 CD GLN A 109 -2.235 15.142 -17.065 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -2.296 16.361 -17.042 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -3.329 14.450 -16.877 1.00 0.00 N ATOM 0 H GLN A 109 1.606 13.124 -15.853 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.955 13.684 -14.668 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.124 12.511 -17.246 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.590 12.403 -16.897 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.108 15.059 -16.932 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.767 14.343 -18.390 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.297 13.431 -16.893 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.214 14.930 -16.715 1.00 0.00 H new ATOM 1695 N TRP A 110 0.141 10.672 -14.438 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.133 9.434 -13.706 1.00 0.00 C ATOM 1697 C TRP A 110 -0.368 9.740 -12.247 1.00 0.00 C ATOM 1698 O TRP A 110 -1.239 9.171 -11.585 1.00 0.00 O ATOM 1699 CB TRP A 110 1.081 8.473 -13.842 1.00 0.00 C ATOM 1700 CG TRP A 110 1.062 7.574 -15.084 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.897 7.664 -16.216 1.00 0.00 C ATOM 1702 CD2 TRP A 110 0.271 6.457 -15.292 1.00 0.00 C ATOM 1703 NE1 TRP A 110 1.641 6.628 -17.138 1.00 0.00 N ATOM 1704 CE2 TRP A 110 0.630 5.893 -16.541 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -0.756 5.875 -14.503 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.038 4.740 -17.010 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.338 4.688 -14.947 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.000 4.138 -16.192 1.00 0.00 C ATOM 0 H TRP A 110 1.097 10.753 -14.783 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.024 8.963 -14.122 1.00 0.00 H new ATOM 0 HB2 TRP A 110 1.995 9.067 -13.856 1.00 0.00 H new ATOM 0 HB3 TRP A 110 1.125 7.841 -12.955 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.642 8.433 -16.360 1.00 0.00 H new ATOM 0 HE1 TRP A 110 2.095 6.459 -18.036 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.078 6.340 -13.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 0.190 4.330 -17.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.061 4.184 -14.322 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.490 3.235 -16.525 1.00 0.00 H new ATOM 1719 N VAL A 111 0.401 10.680 -11.727 1.00 0.00 N ATOM 1720 CA VAL A 111 0.203 11.158 -10.359 1.00 0.00 C ATOM 1721 C VAL A 111 -1.040 12.007 -10.248 1.00 0.00 C ATOM 1722 O VAL A 111 -1.772 11.961 -9.253 1.00 0.00 O ATOM 1723 CB VAL A 111 1.483 11.961 -9.896 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.459 13.499 -10.118 1.00 0.00 C ATOM 1725 CG2 VAL A 111 1.837 11.779 -8.400 1.00 0.00 C ATOM 0 H VAL A 111 1.169 11.130 -12.225 1.00 0.00 H new ATOM 0 HA VAL A 111 0.062 10.299 -9.702 1.00 0.00 H new ATOM 0 HB VAL A 111 2.224 11.509 -10.555 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.392 13.933 -9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.345 13.711 -11.181 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.623 13.933 -9.569 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.727 12.362 -8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.005 12.121 -7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.029 10.725 -8.197 1.00 0.00 H new ATOM 1735 N THR A 112 -1.316 12.786 -11.285 1.00 0.00 N ATOM 1736 CA THR A 112 -2.560 13.556 -11.341 1.00 0.00 C ATOM 1737 C THR A 112 -3.752 12.626 -11.290 1.00 0.00 C ATOM 1738 O THR A 112 -4.616 12.730 -10.400 1.00 0.00 O ATOM 1739 CB THR A 112 -2.622 14.481 -12.604 1.00 0.00 C ATOM 1740 OG1 THR A 112 -2.961 13.734 -13.768 1.00 0.00 O ATOM 1741 CG2 THR A 112 -1.318 15.240 -12.955 1.00 0.00 C ATOM 0 H THR A 112 -0.705 12.904 -12.093 1.00 0.00 H new ATOM 0 HA THR A 112 -2.586 14.210 -10.469 1.00 0.00 H new ATOM 0 HB THR A 112 -3.378 15.215 -12.325 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.581 14.254 -14.321 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.479 15.848 -13.846 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.037 15.884 -12.122 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.519 14.523 -13.145 1.00 0.00 H new ATOM 1749 N SER A 113 -3.803 11.678 -12.207 1.00 0.00 N ATOM 1750 CA SER A 113 -4.845 10.647 -12.169 1.00 0.00 C ATOM 1751 C SER A 113 -4.828 9.978 -10.806 1.00 0.00 C ATOM 1752 O SER A 113 -5.685 10.204 -9.945 1.00 0.00 O ATOM 1753 CB SER A 113 -4.702 9.662 -13.361 1.00 0.00 C ATOM 1754 OG SER A 113 -5.928 9.494 -14.091 1.00 0.00 O ATOM 0 H SER A 113 -3.147 11.593 -12.983 1.00 0.00 H new ATOM 0 HA SER A 113 -5.830 11.097 -12.295 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.928 10.026 -14.037 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.370 8.693 -12.989 1.00 0.00 H new ATOM 0 HG SER A 113 -5.785 8.867 -14.831 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.792 9.194 -10.580 1.00 0.00 N ATOM 1761 CA LEU A 114 -3.655 8.322 -9.417 1.00 0.00 C ATOM 1762 C LEU A 114 -4.047 9.000 -8.123 1.00 0.00 C ATOM 1763 O LEU A 114 -4.744 8.407 -7.281 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.198 7.777 -9.320 1.00 0.00 C ATOM 1765 CG LEU A 114 -1.746 6.710 -10.353 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -1.340 5.417 -9.629 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -2.835 6.393 -11.394 1.00 0.00 C ATOM 0 H LEU A 114 -2.996 9.141 -11.216 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.348 7.493 -9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.519 8.626 -9.398 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.066 7.354 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.893 7.128 -10.888 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.024 4.674 -10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.517 5.626 -8.946 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.191 5.033 -9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.464 5.641 -12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.722 6.013 -10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.090 7.300 -11.941 1.00 0.00 H new ATOM 1779 N LYS A 115 -3.601 10.224 -7.908 1.00 0.00 N ATOM 1780 CA LYS A 115 -3.867 10.923 -6.650 1.00 0.00 C ATOM 1781 C LYS A 115 -5.347 11.178 -6.483 1.00 0.00 C ATOM 1782 O LYS A 115 -5.924 11.007 -5.405 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.067 12.254 -6.608 1.00 0.00 C ATOM 1784 CG LYS A 115 -3.537 13.227 -5.497 1.00 0.00 C ATOM 1785 CD LYS A 115 -2.437 14.110 -4.902 1.00 0.00 C ATOM 1786 CE LYS A 115 -3.081 15.238 -4.085 1.00 0.00 C ATOM 1787 NZ LYS A 115 -2.025 16.066 -3.476 1.00 0.00 N ATOM 0 H LYS A 115 -3.054 10.759 -8.582 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.542 10.294 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.011 12.029 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -3.154 12.751 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.317 13.870 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.990 12.646 -4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.780 13.515 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.820 14.528 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.714 15.851 -4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.723 14.820 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.460 16.831 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.438 15.476 -2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.430 16.476 -4.224 1.00 0.00 H new ATOM 1801 N ALA A 116 -5.985 11.617 -7.555 1.00 0.00 N ATOM 1802 CA ALA A 116 -7.430 11.841 -7.542 1.00 0.00 C ATOM 1803 C ALA A 116 -8.207 10.601 -7.152 1.00 0.00 C ATOM 1804 O ALA A 116 -9.331 10.707 -6.617 1.00 0.00 O ATOM 1805 CB ALA A 116 -7.825 12.361 -8.938 1.00 0.00 C ATOM 0 H ALA A 116 -5.532 11.826 -8.445 1.00 0.00 H new ATOM 0 HA ALA A 116 -7.684 12.577 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -8.900 12.541 -8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -7.295 13.291 -9.143 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -7.560 11.619 -9.691 1.00 0.00 H new ATOM 1811 N GLN A 117 -7.686 9.416 -7.403 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.459 8.179 -7.216 1.00 0.00 C ATOM 1813 C GLN A 117 -8.144 7.443 -5.930 1.00 0.00 C ATOM 1814 O GLN A 117 -9.055 7.162 -5.120 1.00 0.00 O ATOM 1815 CB GLN A 117 -8.196 7.270 -8.438 1.00 0.00 C ATOM 1816 CG GLN A 117 -9.269 7.314 -9.576 1.00 0.00 C ATOM 1817 CD GLN A 117 -10.064 6.043 -9.907 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -9.610 5.206 -10.803 1.00 0.00 O flip ATOM 1819 NE2 GLN A 117 -11.123 5.800 -9.353 1.00 0.00 N flip ATOM 0 H GLN A 117 -6.733 9.272 -7.737 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.512 8.450 -7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.231 7.542 -8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -8.110 6.241 -8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.987 8.092 -9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.766 7.633 -10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.491 6.443 -8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.641 4.954 -9.591 1.00 0.00 H new ATOM 1828 N SER A 118 -6.903 7.068 -5.691 1.00 0.00 N ATOM 1829 CA SER A 118 -6.469 6.202 -4.594 1.00 0.00 C ATOM 1830 C SER A 118 -7.271 6.413 -3.328 1.00 0.00 C ATOM 1831 O SER A 118 -7.895 5.495 -2.787 1.00 0.00 O ATOM 1832 CB SER A 118 -4.958 6.408 -4.300 1.00 0.00 C ATOM 1833 OG SER A 118 -4.132 6.604 -5.449 1.00 0.00 O ATOM 0 H SER A 118 -6.127 7.369 -6.280 1.00 0.00 H new ATOM 0 HA SER A 118 -6.643 5.177 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.847 7.270 -3.642 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.590 5.540 -3.753 1.00 0.00 H new ATOM 0 HG SER A 118 -4.256 7.514 -5.790 1.00 0.00 H new