USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 861 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 29 GLN : amide:sc= 0 K(o=-0.19,f=-1.3) USER MOD Set 1.2: A 30 ASN :FLIP amide:sc= -0.187 F(o=-1.3,f=-0.19) USER MOD Set 2.1: A 23 TYR OH : rot -10:sc= 0.793 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -2! K(o=-1.2!,f=-4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.531 K(o=-0.53,f=-1.9) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 74:sc= 0.486 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 78:sc= 0.936 USER MOD Single : A 25 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-5.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 121:sc= 0.531 USER MOD Single : A 36 SER OG : rot 150:sc= 0.103 USER MOD Single : A 39 MET CE :methyl -162:sc= 0 (180deg=-0.16) USER MOD Single : A 42 CYS SG : rot 158:sc= -3.07 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.923 F(o=-1.8,f=-0.92) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0831 K(o=-0.083,f=-2.8!) USER MOD Single : A 62 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 65 GLN : amide:sc= -0.0669 K(o=-0.067,f=-0.68) USER MOD Single : A 66 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -62:sc= -2.33! USER MOD Single : A 76 THR OG1 : rot -170:sc= 0.00155 USER MOD Single : A 77 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-5.9!) USER MOD Single : A 80 CYS SG : rot -144:sc= -1.41 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 89 MET CE :methyl 162:sc= -3.17 (180deg=-4.55!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 75:sc= 0.196 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.862! X(o=-0.86!,f=-1) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 70:sc= 0.42 USER MOD Single : A 113 GLN : amide:sc= -5.12! C(o=-5.1!,f=-9.6!) USER MOD Single : A 114 LYS NZ :NH3+ 148:sc= -0.374 (180deg=-1.68!) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -11.959 -9.623 2.123 1.00 0.00 N ATOM 67 CA ILE A 8 -11.404 -8.339 1.711 1.00 0.00 C ATOM 68 C ILE A 8 -9.883 -8.399 1.627 1.00 0.00 C ATOM 69 O ILE A 8 -9.250 -7.551 0.997 1.00 0.00 O ATOM 70 CB ILE A 8 -11.809 -7.214 2.682 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.314 -7.263 2.954 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.412 -5.858 2.117 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.711 -6.630 4.269 1.00 0.00 C ATOM 0 HA ILE A 8 -11.812 -8.121 0.724 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.283 -7.361 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.838 -6.757 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.643 -8.302 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.705 -5.073 2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.333 -5.827 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.914 -5.701 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.791 -6.701 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.215 -7.151 5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.413 -5.581 4.273 1.00 0.00 H new ATOM 85 N LYS A 9 -9.300 -9.408 2.266 1.00 0.00 N ATOM 86 CA LYS A 9 -7.852 -9.583 2.262 1.00 0.00 C ATOM 87 C LYS A 9 -7.361 -10.024 0.886 1.00 0.00 C ATOM 88 O LYS A 9 -6.212 -9.780 0.521 1.00 0.00 O ATOM 89 CB LYS A 9 -7.439 -10.612 3.316 1.00 0.00 C ATOM 90 CG LYS A 9 -6.050 -10.376 3.884 1.00 0.00 C ATOM 91 CD LYS A 9 -4.988 -11.107 3.080 1.00 0.00 C ATOM 92 CE LYS A 9 -4.890 -12.570 3.484 1.00 0.00 C ATOM 93 NZ LYS A 9 -4.228 -13.392 2.434 1.00 0.00 N ATOM 0 H LYS A 9 -9.809 -10.118 2.794 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.395 -8.623 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.163 -10.596 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.478 -11.608 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.834 -9.308 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.018 -10.711 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.222 -11.037 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.022 -10.623 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.331 -12.653 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.889 -12.962 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.180 -14.383 2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.775 -13.334 1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.265 -13.035 2.269 1.00 0.00 H new ATOM 107 N GLN A 10 -8.240 -10.672 0.129 1.00 0.00 N ATOM 108 CA GLN A 10 -7.895 -11.145 -1.206 1.00 0.00 C ATOM 109 C GLN A 10 -8.005 -10.019 -2.229 1.00 0.00 C ATOM 110 O GLN A 10 -7.105 -9.817 -3.043 1.00 0.00 O ATOM 111 CB GLN A 10 -8.805 -12.306 -1.610 1.00 0.00 C ATOM 112 CG GLN A 10 -8.303 -13.082 -2.817 1.00 0.00 C ATOM 113 CD GLN A 10 -6.936 -13.695 -2.589 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.464 -13.784 -1.455 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.291 -14.123 -3.668 1.00 0.00 N ATOM 0 H GLN A 10 -9.196 -10.881 0.417 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.862 -11.492 -1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.905 -12.988 -0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.800 -11.918 -1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.015 -13.871 -3.059 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.259 -12.417 -3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.720 -14.030 -4.589 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.367 -14.545 -3.576 1.00 0.00 H new ATOM 124 N MET A 11 -9.113 -9.287 -2.179 1.00 0.00 N ATOM 125 CA MET A 11 -9.340 -8.180 -3.101 1.00 0.00 C ATOM 126 C MET A 11 -8.220 -7.149 -2.998 1.00 0.00 C ATOM 127 O MET A 11 -7.837 -6.532 -3.993 1.00 0.00 O ATOM 128 CB MET A 11 -10.688 -7.517 -2.814 1.00 0.00 C ATOM 129 CG MET A 11 -10.682 -6.643 -1.570 1.00 0.00 C ATOM 130 SD MET A 11 -12.126 -5.567 -1.471 1.00 0.00 S ATOM 131 CE MET A 11 -11.365 -3.959 -1.671 1.00 0.00 C ATOM 0 H MET A 11 -9.868 -9.440 -1.510 1.00 0.00 H new ATOM 0 HA MET A 11 -9.349 -8.580 -4.115 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.976 -6.911 -3.673 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.448 -8.291 -2.701 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.645 -7.278 -0.685 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.778 -6.034 -1.563 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.132 -3.186 -1.632 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.644 -3.795 -0.870 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.854 -3.915 -2.633 1.00 0.00 H new ATOM 141 N LEU A 12 -7.699 -6.967 -1.790 1.00 0.00 N ATOM 142 CA LEU A 12 -6.623 -6.010 -1.556 1.00 0.00 C ATOM 143 C LEU A 12 -5.355 -6.427 -2.294 1.00 0.00 C ATOM 144 O LEU A 12 -4.761 -5.634 -3.027 1.00 0.00 O ATOM 145 CB LEU A 12 -6.339 -5.888 -0.058 1.00 0.00 C ATOM 146 CG LEU A 12 -7.360 -5.094 0.756 1.00 0.00 C ATOM 147 CD1 LEU A 12 -6.967 -5.067 2.225 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.492 -3.679 0.212 1.00 0.00 C ATOM 0 H LEU A 12 -8.004 -7.470 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.942 -5.040 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.271 -6.892 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.362 -5.423 0.069 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.328 -5.587 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.706 -4.497 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.925 -6.086 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.989 -4.598 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.223 -3.128 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.527 -3.176 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.821 -3.718 -0.826 1.00 0.00 H new ATOM 160 N LEU A 13 -4.946 -7.675 -2.098 1.00 0.00 N ATOM 161 CA LEU A 13 -3.748 -8.199 -2.747 1.00 0.00 C ATOM 162 C LEU A 13 -3.874 -8.123 -4.265 1.00 0.00 C ATOM 163 O LEU A 13 -2.924 -7.759 -4.959 1.00 0.00 O ATOM 164 CB LEU A 13 -3.503 -9.646 -2.316 1.00 0.00 C ATOM 165 CG LEU A 13 -2.119 -10.214 -2.633 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.062 -9.568 -1.751 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.110 -11.726 -2.457 1.00 0.00 C ATOM 0 H LEU A 13 -5.426 -8.344 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.900 -7.586 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.665 -9.716 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.252 -10.278 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.884 -9.987 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.084 -9.985 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.051 -8.492 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.293 -9.764 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.117 -12.113 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.367 -11.974 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.840 -12.175 -3.131 1.00 0.00 H new ATOM 179 N ASP A 14 -5.052 -8.465 -4.774 1.00 0.00 N ATOM 180 CA ASP A 14 -5.304 -8.432 -6.210 1.00 0.00 C ATOM 181 C ASP A 14 -5.267 -7.001 -6.736 1.00 0.00 C ATOM 182 O ASP A 14 -4.704 -6.734 -7.797 1.00 0.00 O ATOM 183 CB ASP A 14 -6.657 -9.070 -6.527 1.00 0.00 C ATOM 184 CG ASP A 14 -6.905 -9.192 -8.018 1.00 0.00 C ATOM 185 OD1 ASP A 14 -6.374 -8.355 -8.778 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.629 -10.125 -8.424 1.00 0.00 O ATOM 0 H ASP A 14 -5.848 -8.769 -4.213 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.517 -9.002 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.704 -10.059 -6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.451 -8.474 -6.077 1.00 0.00 H new ATOM 191 N TRP A 15 -5.870 -6.085 -5.987 1.00 0.00 N ATOM 192 CA TRP A 15 -5.907 -4.681 -6.378 1.00 0.00 C ATOM 193 C TRP A 15 -4.505 -4.082 -6.390 1.00 0.00 C ATOM 194 O TRP A 15 -4.077 -3.500 -7.387 1.00 0.00 O ATOM 195 CB TRP A 15 -6.805 -3.888 -5.426 1.00 0.00 C ATOM 196 CG TRP A 15 -6.824 -2.418 -5.714 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.554 -1.780 -6.677 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.078 -1.402 -5.035 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.306 -0.429 -6.637 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.405 -0.171 -5.638 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.167 -1.412 -3.975 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.852 1.034 -5.215 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.619 -0.214 -3.557 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.963 0.995 -4.176 1.00 0.00 C ATOM 0 H TRP A 15 -6.340 -6.290 -5.105 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.316 -4.622 -7.387 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.822 -4.276 -5.489 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.466 -4.046 -4.402 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.227 -2.266 -7.368 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.725 0.269 -7.252 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.896 -2.339 -3.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.115 1.967 -5.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.914 -0.210 -2.739 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.517 1.914 -3.826 1.00 0.00 H new ATOM 215 N CYS A 16 -3.794 -4.229 -5.277 1.00 0.00 N ATOM 216 CA CYS A 16 -2.439 -3.702 -5.160 1.00 0.00 C ATOM 217 C CYS A 16 -1.656 -3.923 -6.451 1.00 0.00 C ATOM 218 O CYS A 16 -1.022 -3.003 -6.969 1.00 0.00 O ATOM 219 CB CYS A 16 -1.711 -4.364 -3.989 1.00 0.00 C ATOM 220 SG CYS A 16 -2.308 -3.847 -2.362 1.00 0.00 S ATOM 0 H CYS A 16 -4.133 -4.709 -4.443 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.508 -2.630 -4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.815 -5.446 -4.075 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.647 -4.139 -4.062 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.463 -4.396 -2.129 1.00 0.00 H new ATOM 226 N ARG A 17 -1.705 -5.148 -6.964 1.00 0.00 N ATOM 227 CA ARG A 17 -0.998 -5.490 -8.193 1.00 0.00 C ATOM 228 C ARG A 17 -1.507 -4.653 -9.363 1.00 0.00 C ATOM 229 O ARG A 17 -0.720 -4.088 -10.123 1.00 0.00 O ATOM 230 CB ARG A 17 -1.165 -6.978 -8.505 1.00 0.00 C ATOM 231 CG ARG A 17 -0.394 -7.888 -7.563 1.00 0.00 C ATOM 232 CD ARG A 17 -0.881 -9.326 -7.655 1.00 0.00 C ATOM 233 NE ARG A 17 -0.235 -10.053 -8.745 1.00 0.00 N ATOM 234 CZ ARG A 17 -0.663 -10.023 -10.003 1.00 0.00 C ATOM 235 NH1 ARG A 17 -1.729 -9.306 -10.327 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.022 -10.712 -10.939 1.00 0.00 N ATOM 0 H ARG A 17 -2.226 -5.920 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 17 0.060 -5.273 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.224 -7.234 -8.458 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.837 -7.165 -9.527 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.668 -7.846 -7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.503 -7.530 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.685 -9.836 -6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.961 -9.334 -7.803 1.00 0.00 H new ATOM 0 HE ARG A 17 0.589 -10.614 -8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.224 -8.775 -9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.055 -9.285 -11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.799 -11.265 -10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.351 -10.689 -11.904 1.00 0.00 H new ATOM 250 N ALA A 18 -2.826 -4.580 -9.502 1.00 0.00 N ATOM 251 CA ALA A 18 -3.439 -3.812 -10.579 1.00 0.00 C ATOM 252 C ALA A 18 -2.870 -2.398 -10.638 1.00 0.00 C ATOM 253 O ALA A 18 -2.773 -1.801 -11.711 1.00 0.00 O ATOM 254 CB ALA A 18 -4.950 -3.767 -10.401 1.00 0.00 C ATOM 0 H ALA A 18 -3.491 -5.043 -8.883 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.209 -4.308 -11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.395 -3.190 -11.212 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.348 -4.781 -10.416 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.190 -3.297 -9.447 1.00 0.00 H new ATOM 260 N LYS A 19 -2.494 -1.868 -9.480 1.00 0.00 N ATOM 261 CA LYS A 19 -1.933 -0.524 -9.399 1.00 0.00 C ATOM 262 C LYS A 19 -0.410 -0.574 -9.337 1.00 0.00 C ATOM 263 O LYS A 19 0.263 0.443 -9.513 1.00 0.00 O ATOM 264 CB LYS A 19 -2.481 0.207 -8.171 1.00 0.00 C ATOM 265 CG LYS A 19 -3.998 0.273 -8.130 1.00 0.00 C ATOM 266 CD LYS A 19 -4.543 1.240 -9.168 1.00 0.00 C ATOM 267 CE LYS A 19 -5.945 0.851 -9.609 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.700 2.017 -10.147 1.00 0.00 N ATOM 0 H LYS A 19 -2.567 -2.349 -8.583 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.225 0.020 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.123 -0.293 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.081 1.221 -8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.411 -0.720 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.323 0.583 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.557 2.249 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.880 1.259 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.884 0.075 -10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.487 0.426 -8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.651 1.711 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.781 2.748 -9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.196 2.407 -10.969 1.00 0.00 H new ATOM 282 N THR A 20 0.130 -1.763 -9.085 1.00 0.00 N ATOM 283 CA THR A 20 1.573 -1.944 -9.000 1.00 0.00 C ATOM 284 C THR A 20 2.075 -2.880 -10.094 1.00 0.00 C ATOM 285 O THR A 20 3.172 -3.430 -9.998 1.00 0.00 O ATOM 286 CB THR A 20 1.988 -2.508 -7.628 1.00 0.00 C ATOM 287 OG1 THR A 20 1.398 -1.730 -6.580 1.00 0.00 O ATOM 288 CG2 THR A 20 3.502 -2.504 -7.477 1.00 0.00 C ATOM 0 H THR A 20 -0.411 -2.615 -8.936 1.00 0.00 H new ATOM 0 HA THR A 20 2.023 -0.960 -9.132 1.00 0.00 H new ATOM 0 HB THR A 20 1.634 -3.537 -7.561 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.456 -1.981 -6.477 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.771 -2.907 -6.501 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.947 -3.120 -8.259 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.874 -1.483 -7.564 1.00 0.00 H new ATOM 296 N ARG A 21 1.266 -3.057 -11.133 1.00 0.00 N ATOM 297 CA ARG A 21 1.628 -3.927 -12.245 1.00 0.00 C ATOM 298 C ARG A 21 2.277 -3.128 -13.371 1.00 0.00 C ATOM 299 O ARG A 21 1.671 -2.212 -13.925 1.00 0.00 O ATOM 300 CB ARG A 21 0.392 -4.659 -12.771 1.00 0.00 C ATOM 301 CG ARG A 21 -0.738 -3.730 -13.182 1.00 0.00 C ATOM 302 CD ARG A 21 -1.911 -4.503 -13.763 1.00 0.00 C ATOM 303 NE ARG A 21 -1.595 -5.080 -15.067 1.00 0.00 N ATOM 304 CZ ARG A 21 -2.469 -5.760 -15.801 1.00 0.00 C ATOM 305 NH1 ARG A 21 -3.706 -5.947 -15.361 1.00 0.00 N ATOM 306 NH2 ARG A 21 -2.106 -6.255 -16.977 1.00 0.00 N ATOM 0 H ARG A 21 0.355 -2.609 -11.228 1.00 0.00 H new ATOM 0 HA ARG A 21 2.348 -4.660 -11.881 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.679 -5.269 -13.627 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.029 -5.340 -12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.071 -3.156 -12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.372 -3.014 -13.918 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.198 -5.298 -13.075 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.770 -3.839 -13.859 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.652 -4.954 -15.434 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.988 -5.568 -14.457 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.375 -6.469 -15.927 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.155 -6.114 -17.318 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.778 -6.777 -17.540 1.00 0.00 H new ATOM 320 N GLY A 22 3.515 -3.482 -13.704 1.00 0.00 N ATOM 321 CA GLY A 22 4.226 -2.788 -14.762 1.00 0.00 C ATOM 322 C GLY A 22 5.608 -2.338 -14.333 1.00 0.00 C ATOM 323 O GLY A 22 6.505 -2.188 -15.164 1.00 0.00 O ATOM 0 H GLY A 22 4.038 -4.237 -13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.313 -3.444 -15.628 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.646 -1.920 -15.077 1.00 0.00 H new ATOM 327 N TYR A 23 5.782 -2.123 -13.034 1.00 0.00 N ATOM 328 CA TYR A 23 7.065 -1.684 -12.498 1.00 0.00 C ATOM 329 C TYR A 23 8.078 -2.825 -12.506 1.00 0.00 C ATOM 330 O TYR A 23 7.747 -3.960 -12.848 1.00 0.00 O ATOM 331 CB TYR A 23 6.891 -1.152 -11.074 1.00 0.00 C ATOM 332 CG TYR A 23 6.010 0.074 -10.990 1.00 0.00 C ATOM 333 CD1 TYR A 23 6.547 1.349 -11.121 1.00 0.00 C ATOM 334 CD2 TYR A 23 4.642 -0.042 -10.779 1.00 0.00 C ATOM 335 CE1 TYR A 23 5.746 2.472 -11.044 1.00 0.00 C ATOM 336 CE2 TYR A 23 3.833 1.075 -10.702 1.00 0.00 C ATOM 337 CZ TYR A 23 4.390 2.330 -10.834 1.00 0.00 C ATOM 338 OH TYR A 23 3.589 3.447 -10.758 1.00 0.00 O ATOM 0 H TYR A 23 5.051 -2.245 -12.333 1.00 0.00 H new ATOM 0 HA TYR A 23 7.441 -0.883 -13.135 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.466 -1.938 -10.451 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.871 -0.914 -10.662 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.608 1.464 -11.286 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.203 -1.023 -10.673 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.179 3.456 -11.148 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.771 0.966 -10.539 1.00 0.00 H new ATOM 0 HH TYR A 23 4.150 4.250 -10.719 1.00 0.00 H new ATOM 348 N GLU A 24 9.313 -2.514 -12.125 1.00 0.00 N ATOM 349 CA GLU A 24 10.375 -3.512 -12.088 1.00 0.00 C ATOM 350 C GLU A 24 10.810 -3.791 -10.653 1.00 0.00 C ATOM 351 O GLU A 24 10.696 -2.931 -9.779 1.00 0.00 O ATOM 352 CB GLU A 24 11.575 -3.044 -12.915 1.00 0.00 C ATOM 353 CG GLU A 24 12.669 -4.090 -13.046 1.00 0.00 C ATOM 354 CD GLU A 24 12.410 -5.068 -14.175 1.00 0.00 C ATOM 355 OE1 GLU A 24 12.219 -4.613 -15.322 1.00 0.00 O ATOM 356 OE2 GLU A 24 12.398 -6.288 -13.912 1.00 0.00 O ATOM 0 H GLU A 24 9.602 -1.579 -11.838 1.00 0.00 H new ATOM 0 HA GLU A 24 9.985 -4.435 -12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.232 -2.763 -13.911 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.994 -2.148 -12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.624 -3.592 -13.214 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.756 -4.639 -12.108 1.00 0.00 H new ATOM 363 N HIS A 25 11.309 -5.000 -10.416 1.00 0.00 N ATOM 364 CA HIS A 25 11.762 -5.394 -9.087 1.00 0.00 C ATOM 365 C HIS A 25 10.650 -5.214 -8.058 1.00 0.00 C ATOM 366 O HIS A 25 10.910 -4.909 -6.894 1.00 0.00 O ATOM 367 CB HIS A 25 12.987 -4.575 -8.679 1.00 0.00 C ATOM 368 CG HIS A 25 13.914 -4.276 -9.817 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.407 -5.248 -10.661 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.436 -3.105 -10.249 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.193 -4.688 -11.563 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.228 -3.388 -11.335 1.00 0.00 N ATOM 0 H HIS A 25 11.410 -5.724 -11.127 1.00 0.00 H new ATOM 0 HA HIS A 25 12.034 -6.449 -9.121 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.655 -3.636 -8.235 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.535 -5.116 -7.907 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.262 -2.129 -9.820 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.718 -5.205 -12.353 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.757 -2.705 -11.877 1.00 0.00 H new ATOM 381 N VAL A 26 9.409 -5.402 -8.497 1.00 0.00 N ATOM 382 CA VAL A 26 8.257 -5.261 -7.614 1.00 0.00 C ATOM 383 C VAL A 26 7.245 -6.377 -7.849 1.00 0.00 C ATOM 384 O VAL A 26 6.822 -6.618 -8.979 1.00 0.00 O ATOM 385 CB VAL A 26 7.560 -3.902 -7.814 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.344 -3.786 -6.908 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.535 -2.762 -7.560 1.00 0.00 C ATOM 0 H VAL A 26 9.176 -5.652 -9.458 1.00 0.00 H new ATOM 0 HA VAL A 26 8.632 -5.323 -6.592 1.00 0.00 H new ATOM 0 HB VAL A 26 7.220 -3.836 -8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.865 -2.819 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.638 -4.583 -7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.656 -3.873 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.026 -1.809 -7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.907 -2.822 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.371 -2.837 -8.255 1.00 0.00 H new ATOM 397 N ASP A 27 6.861 -7.055 -6.773 1.00 0.00 N ATOM 398 CA ASP A 27 5.897 -8.145 -6.860 1.00 0.00 C ATOM 399 C ASP A 27 5.075 -8.248 -5.579 1.00 0.00 C ATOM 400 O ASP A 27 5.596 -8.609 -4.523 1.00 0.00 O ATOM 401 CB ASP A 27 6.615 -9.469 -7.128 1.00 0.00 C ATOM 402 CG ASP A 27 7.965 -9.544 -6.442 1.00 0.00 C ATOM 403 OD1 ASP A 27 8.000 -9.853 -5.232 1.00 0.00 O ATOM 404 OD2 ASP A 27 8.986 -9.295 -7.116 1.00 0.00 O ATOM 0 H ASP A 27 7.203 -6.869 -5.830 1.00 0.00 H new ATOM 0 HA ASP A 27 5.220 -7.933 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.990 -10.294 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.749 -9.596 -8.202 1.00 0.00 H new ATOM 409 N ILE A 28 3.789 -7.928 -5.679 1.00 0.00 N ATOM 410 CA ILE A 28 2.897 -7.984 -4.528 1.00 0.00 C ATOM 411 C ILE A 28 2.153 -9.315 -4.474 1.00 0.00 C ATOM 412 O ILE A 28 1.064 -9.451 -5.030 1.00 0.00 O ATOM 413 CB ILE A 28 1.870 -6.836 -4.556 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.585 -5.483 -4.549 1.00 0.00 C ATOM 415 CG2 ILE A 28 0.921 -6.946 -3.371 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.680 -4.320 -4.890 1.00 0.00 C ATOM 0 H ILE A 28 3.342 -7.627 -6.545 1.00 0.00 H new ATOM 0 HA ILE A 28 3.520 -7.882 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 28 1.286 -6.912 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.021 -5.317 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.409 -5.513 -5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.201 -6.128 -3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.391 -7.898 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.490 -6.891 -2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.254 -3.393 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.263 -4.463 -5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.870 -4.264 -4.163 1.00 0.00 H new ATOM 428 N GLN A 29 2.749 -10.292 -3.798 1.00 0.00 N ATOM 429 CA GLN A 29 2.143 -11.611 -3.670 1.00 0.00 C ATOM 430 C GLN A 29 1.525 -11.795 -2.288 1.00 0.00 C ATOM 431 O GLN A 29 0.614 -12.602 -2.106 1.00 0.00 O ATOM 432 CB GLN A 29 3.185 -12.702 -3.925 1.00 0.00 C ATOM 433 CG GLN A 29 2.608 -14.108 -3.918 1.00 0.00 C ATOM 434 CD GLN A 29 3.681 -15.179 -3.881 1.00 0.00 C ATOM 435 OE1 GLN A 29 4.155 -15.562 -2.811 1.00 0.00 O ATOM 436 NE2 GLN A 29 4.069 -15.669 -5.053 1.00 0.00 N ATOM 0 H GLN A 29 3.651 -10.195 -3.331 1.00 0.00 H new ATOM 0 HA GLN A 29 1.352 -11.693 -4.415 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.662 -12.519 -4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.964 -12.634 -3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.954 -14.224 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.991 -14.248 -4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.649 -15.322 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.787 -16.392 -5.091 1.00 0.00 H new ATOM 445 N ASN A 30 2.027 -11.040 -1.316 1.00 0.00 N ATOM 446 CA ASN A 30 1.525 -11.120 0.051 1.00 0.00 C ATOM 447 C ASN A 30 1.961 -9.905 0.863 1.00 0.00 C ATOM 448 O ASN A 30 2.852 -9.159 0.455 1.00 0.00 O ATOM 449 CB ASN A 30 2.021 -12.402 0.724 1.00 0.00 C ATOM 450 CG ASN A 30 3.477 -12.693 0.413 1.00 0.00 C ATOM 451 OD1 ASN A 30 4.370 -12.231 1.280 1.00 0.00 O flip ATOM 452 ND2 ASN A 30 3.793 -13.325 -0.595 1.00 0.00 N flip ATOM 0 H ASN A 30 2.781 -10.366 -1.450 1.00 0.00 H new ATOM 0 HA ASN A 30 0.436 -11.136 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.893 -12.315 1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.408 -13.242 0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.072 -13.661 -1.233 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.776 -13.513 -0.792 1.00 0.00 H new ATOM 459 N PHE A 31 1.327 -9.711 2.015 1.00 0.00 N ATOM 460 CA PHE A 31 1.649 -8.585 2.885 1.00 0.00 C ATOM 461 C PHE A 31 2.498 -9.038 4.069 1.00 0.00 C ATOM 462 O PHE A 31 2.253 -8.645 5.209 1.00 0.00 O ATOM 463 CB PHE A 31 0.366 -7.919 3.388 1.00 0.00 C ATOM 464 CG PHE A 31 -0.723 -7.860 2.355 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.719 -6.874 1.381 1.00 0.00 C ATOM 466 CD2 PHE A 31 -1.751 -8.789 2.359 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.720 -6.816 0.429 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.754 -8.736 1.409 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.739 -7.748 0.444 1.00 0.00 C ATOM 0 H PHE A 31 0.588 -10.319 2.368 1.00 0.00 H new ATOM 0 HA PHE A 31 2.222 -7.862 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.001 -8.463 4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.597 -6.907 3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.075 -6.142 1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.769 -9.563 3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.705 -6.043 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.549 -9.467 1.421 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.523 -7.704 -0.298 1.00 0.00 H new ATOM 479 N SER A 32 3.497 -9.869 3.789 1.00 0.00 N ATOM 480 CA SER A 32 4.381 -10.380 4.830 1.00 0.00 C ATOM 481 C SER A 32 5.748 -9.706 4.761 1.00 0.00 C ATOM 482 O SER A 32 6.144 -8.985 5.677 1.00 0.00 O ATOM 483 CB SER A 32 4.539 -11.895 4.696 1.00 0.00 C ATOM 484 OG SER A 32 3.300 -12.556 4.882 1.00 0.00 O ATOM 0 H SER A 32 3.714 -10.203 2.850 1.00 0.00 H new ATOM 0 HA SER A 32 3.932 -10.153 5.797 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.939 -12.136 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.260 -12.255 5.430 1.00 0.00 H new ATOM 0 HG SER A 32 3.428 -13.523 4.790 1.00 0.00 H new ATOM 490 N SER A 33 6.465 -9.947 3.669 1.00 0.00 N ATOM 491 CA SER A 33 7.790 -9.367 3.480 1.00 0.00 C ATOM 492 C SER A 33 7.836 -8.516 2.215 1.00 0.00 C ATOM 493 O SER A 33 8.581 -7.540 2.137 1.00 0.00 O ATOM 494 CB SER A 33 8.847 -10.470 3.405 1.00 0.00 C ATOM 495 OG SER A 33 10.153 -9.934 3.516 1.00 0.00 O ATOM 0 H SER A 33 6.151 -10.540 2.901 1.00 0.00 H new ATOM 0 HA SER A 33 8.004 -8.726 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.679 -11.194 4.202 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.750 -11.007 2.461 1.00 0.00 H new ATOM 0 HG SER A 33 10.810 -10.660 3.467 1.00 0.00 H new ATOM 501 N SER A 34 7.032 -8.893 1.226 1.00 0.00 N ATOM 502 CA SER A 34 6.982 -8.168 -0.038 1.00 0.00 C ATOM 503 C SER A 34 7.124 -6.666 0.192 1.00 0.00 C ATOM 504 O SER A 34 7.789 -5.970 -0.576 1.00 0.00 O ATOM 505 CB SER A 34 5.670 -8.462 -0.768 1.00 0.00 C ATOM 506 OG SER A 34 5.738 -8.053 -2.123 1.00 0.00 O ATOM 0 H SER A 34 6.406 -9.697 1.276 1.00 0.00 H new ATOM 0 HA SER A 34 7.815 -8.504 -0.655 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.453 -9.529 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.849 -7.946 -0.270 1.00 0.00 H new ATOM 0 HG SER A 34 5.575 -8.824 -2.706 1.00 0.00 H new ATOM 512 N TRP A 35 6.495 -6.174 1.253 1.00 0.00 N ATOM 513 CA TRP A 35 6.550 -4.755 1.584 1.00 0.00 C ATOM 514 C TRP A 35 7.765 -4.446 2.453 1.00 0.00 C ATOM 515 O TRP A 35 8.339 -3.361 2.369 1.00 0.00 O ATOM 516 CB TRP A 35 5.271 -4.328 2.305 1.00 0.00 C ATOM 517 CG TRP A 35 4.020 -4.733 1.584 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.494 -5.990 1.497 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.140 -3.876 0.848 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.341 -5.967 0.752 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.101 -4.682 0.343 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.128 -2.507 0.569 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.064 -4.161 -0.426 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.097 -1.992 -0.195 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.077 -2.818 -0.685 1.00 0.00 C ATOM 0 H TRP A 35 5.941 -6.737 1.899 1.00 0.00 H new ATOM 0 HA TRP A 35 6.639 -4.194 0.654 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.263 -4.763 3.304 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.276 -3.245 2.429 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.922 -6.873 1.948 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.758 -6.776 0.538 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.910 -1.863 0.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.276 -4.795 -0.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.078 -0.935 -0.418 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.285 -2.386 -1.279 1.00 0.00 H new ATOM 536 N SER A 36 8.151 -5.407 3.286 1.00 0.00 N ATOM 537 CA SER A 36 9.296 -5.235 4.172 1.00 0.00 C ATOM 538 C SER A 36 10.468 -4.601 3.430 1.00 0.00 C ATOM 539 O SER A 36 11.278 -3.886 4.020 1.00 0.00 O ATOM 540 CB SER A 36 9.719 -6.583 4.761 1.00 0.00 C ATOM 541 OG SER A 36 10.830 -6.434 5.628 1.00 0.00 O ATOM 0 H SER A 36 7.688 -6.312 3.366 1.00 0.00 H new ATOM 0 HA SER A 36 9.000 -4.569 4.982 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.884 -7.023 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.972 -7.272 3.955 1.00 0.00 H new ATOM 0 HG SER A 36 10.791 -7.117 6.329 1.00 0.00 H new ATOM 547 N ASP A 37 10.551 -4.868 2.131 1.00 0.00 N ATOM 548 CA ASP A 37 11.623 -4.324 1.306 1.00 0.00 C ATOM 549 C ASP A 37 11.564 -2.800 1.274 1.00 0.00 C ATOM 550 O ASP A 37 12.485 -2.123 1.728 1.00 0.00 O ATOM 551 CB ASP A 37 11.533 -4.880 -0.116 1.00 0.00 C ATOM 552 CG ASP A 37 11.791 -6.373 -0.172 1.00 0.00 C ATOM 553 OD1 ASP A 37 11.097 -7.122 0.548 1.00 0.00 O ATOM 554 OD2 ASP A 37 12.686 -6.792 -0.935 1.00 0.00 O ATOM 0 H ASP A 37 9.889 -5.458 1.627 1.00 0.00 H new ATOM 0 HA ASP A 37 12.574 -4.624 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.544 -4.670 -0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.255 -4.366 -0.750 1.00 0.00 H new ATOM 559 N GLY A 38 10.473 -2.266 0.733 1.00 0.00 N ATOM 560 CA GLY A 38 10.314 -0.826 0.650 1.00 0.00 C ATOM 561 C GLY A 38 9.746 -0.380 -0.682 1.00 0.00 C ATOM 562 O GLY A 38 8.626 0.126 -0.749 1.00 0.00 O ATOM 0 H GLY A 38 9.696 -2.805 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.657 -0.490 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.281 -0.347 0.808 1.00 0.00 H new ATOM 566 N MET A 39 10.520 -0.567 -1.746 1.00 0.00 N ATOM 567 CA MET A 39 10.087 -0.180 -3.084 1.00 0.00 C ATOM 568 C MET A 39 8.596 -0.442 -3.269 1.00 0.00 C ATOM 569 O MET A 39 7.860 0.419 -3.750 1.00 0.00 O ATOM 570 CB MET A 39 10.887 -0.942 -4.142 1.00 0.00 C ATOM 571 CG MET A 39 12.328 -0.475 -4.268 1.00 0.00 C ATOM 572 SD MET A 39 12.485 1.046 -5.224 1.00 0.00 S ATOM 573 CE MET A 39 13.660 0.540 -6.476 1.00 0.00 C ATOM 0 H MET A 39 11.450 -0.984 -1.708 1.00 0.00 H new ATOM 0 HA MET A 39 10.267 0.888 -3.203 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.878 -2.004 -3.897 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.393 -0.833 -5.107 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.743 -0.318 -3.272 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.920 -1.259 -4.740 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.101 1.423 -6.939 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.446 -0.060 -6.016 1.00 0.00 H new ATOM 0 HE3 MET A 39 13.150 -0.052 -7.236 1.00 0.00 H new ATOM 583 N ALA A 40 8.158 -1.636 -2.886 1.00 0.00 N ATOM 584 CA ALA A 40 6.754 -2.011 -3.009 1.00 0.00 C ATOM 585 C ALA A 40 5.842 -0.820 -2.734 1.00 0.00 C ATOM 586 O ALA A 40 5.208 -0.287 -3.645 1.00 0.00 O ATOM 587 CB ALA A 40 6.429 -3.156 -2.062 1.00 0.00 C ATOM 0 H ALA A 40 8.755 -2.361 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 40 6.580 -2.340 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.378 -3.426 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.050 -4.018 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.626 -2.846 -1.036 1.00 0.00 H new ATOM 593 N PHE A 41 5.780 -0.406 -1.473 1.00 0.00 N ATOM 594 CA PHE A 41 4.944 0.721 -1.078 1.00 0.00 C ATOM 595 C PHE A 41 5.071 1.868 -2.076 1.00 0.00 C ATOM 596 O PHE A 41 4.073 2.358 -2.605 1.00 0.00 O ATOM 597 CB PHE A 41 5.330 1.204 0.322 1.00 0.00 C ATOM 598 CG PHE A 41 4.604 0.486 1.425 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.219 0.450 1.451 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.307 -0.151 2.434 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.549 -0.210 2.464 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.642 -0.812 3.449 1.00 0.00 C ATOM 603 CZ PHE A 41 3.261 -0.841 3.465 1.00 0.00 C ATOM 0 H PHE A 41 6.299 -0.835 -0.707 1.00 0.00 H new ATOM 0 HA PHE A 41 3.907 0.385 -1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.403 1.074 0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.126 2.272 0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.657 0.943 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.387 -0.131 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.469 -0.232 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.202 -1.306 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.739 -1.356 4.258 1.00 0.00 H new ATOM 613 N CYS A 42 6.305 2.292 -2.327 1.00 0.00 N ATOM 614 CA CYS A 42 6.563 3.383 -3.261 1.00 0.00 C ATOM 615 C CYS A 42 5.775 3.191 -4.552 1.00 0.00 C ATOM 616 O CYS A 42 4.875 3.970 -4.863 1.00 0.00 O ATOM 617 CB CYS A 42 8.058 3.473 -3.570 1.00 0.00 C ATOM 618 SG CYS A 42 9.111 3.576 -2.103 1.00 0.00 S ATOM 0 H CYS A 42 7.142 1.897 -1.897 1.00 0.00 H new ATOM 0 HA CYS A 42 6.239 4.313 -2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.351 2.600 -4.153 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.237 4.348 -4.195 1.00 0.00 H new ATOM 0 HG CYS A 42 10.314 3.185 -2.404 1.00 0.00 H new ATOM 624 N ALA A 43 6.122 2.150 -5.302 1.00 0.00 N ATOM 625 CA ALA A 43 5.446 1.856 -6.560 1.00 0.00 C ATOM 626 C ALA A 43 3.937 2.028 -6.426 1.00 0.00 C ATOM 627 O ALA A 43 3.323 2.801 -7.162 1.00 0.00 O ATOM 628 CB ALA A 43 5.780 0.444 -7.020 1.00 0.00 C ATOM 0 H ALA A 43 6.867 1.496 -5.060 1.00 0.00 H new ATOM 0 HA ALA A 43 5.800 2.564 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.269 0.237 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.857 0.354 -7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.454 -0.271 -6.265 1.00 0.00 H new ATOM 634 N LEU A 44 3.345 1.302 -5.484 1.00 0.00 N ATOM 635 CA LEU A 44 1.906 1.374 -5.254 1.00 0.00 C ATOM 636 C LEU A 44 1.424 2.821 -5.273 1.00 0.00 C ATOM 637 O LEU A 44 0.357 3.124 -5.808 1.00 0.00 O ATOM 638 CB LEU A 44 1.550 0.723 -3.916 1.00 0.00 C ATOM 639 CG LEU A 44 0.070 0.739 -3.535 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.695 -0.315 -4.320 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.098 0.519 -2.039 1.00 0.00 C ATOM 0 H LEU A 44 3.839 0.657 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 44 1.407 0.833 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.888 -0.313 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.113 1.225 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.339 1.717 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.747 -0.289 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.603 -0.112 -5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.285 -1.301 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.158 0.534 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.328 -0.446 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.416 1.311 -1.495 1.00 0.00 H new ATOM 653 N VAL A 45 2.217 3.712 -4.687 1.00 0.00 N ATOM 654 CA VAL A 45 1.873 5.128 -4.639 1.00 0.00 C ATOM 655 C VAL A 45 2.146 5.806 -5.977 1.00 0.00 C ATOM 656 O VAL A 45 1.246 6.382 -6.589 1.00 0.00 O ATOM 657 CB VAL A 45 2.660 5.860 -3.535 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.319 7.342 -3.530 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.378 5.235 -2.177 1.00 0.00 C ATOM 0 H VAL A 45 3.103 3.478 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 45 0.808 5.187 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 45 3.725 5.757 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.884 7.843 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.576 7.778 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.252 7.469 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.942 5.764 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.312 5.305 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.677 4.187 -2.190 1.00 0.00 H new ATOM 669 N HIS A 46 3.395 5.732 -6.427 1.00 0.00 N ATOM 670 CA HIS A 46 3.787 6.338 -7.695 1.00 0.00 C ATOM 671 C HIS A 46 2.687 6.172 -8.740 1.00 0.00 C ATOM 672 O HIS A 46 2.438 7.072 -9.540 1.00 0.00 O ATOM 673 CB HIS A 46 5.087 5.713 -8.202 1.00 0.00 C ATOM 674 CG HIS A 46 5.627 6.371 -9.434 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.475 5.842 -10.699 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.320 7.523 -9.591 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.053 6.639 -11.579 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.573 7.667 -10.933 1.00 0.00 N ATOM 0 H HIS A 46 4.152 5.259 -5.933 1.00 0.00 H new ATOM 0 HA HIS A 46 3.946 7.403 -7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.838 5.766 -7.413 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.916 4.657 -8.409 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.619 8.203 -8.807 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.094 6.478 -12.646 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.080 8.442 -11.361 1.00 0.00 H new ATOM 687 N ASN A 47 2.034 5.015 -8.726 1.00 0.00 N ATOM 688 CA ASN A 47 0.962 4.730 -9.673 1.00 0.00 C ATOM 689 C ASN A 47 -0.112 5.812 -9.619 1.00 0.00 C ATOM 690 O ASN A 47 -0.562 6.307 -10.653 1.00 0.00 O ATOM 691 CB ASN A 47 0.341 3.364 -9.377 1.00 0.00 C ATOM 692 CG ASN A 47 -0.644 2.933 -10.447 1.00 0.00 C ATOM 693 OD1 ASN A 47 -1.919 2.857 -10.081 1.00 0.00 O flip ATOM 694 ND2 ASN A 47 -0.264 2.672 -11.588 1.00 0.00 N flip ATOM 0 H ASN A 47 2.228 4.259 -8.069 1.00 0.00 H new ATOM 0 HA ASN A 47 1.390 4.717 -10.675 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.132 2.619 -9.294 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.166 3.400 -8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.725 2.744 -11.825 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.939 2.384 -12.297 1.00 0.00 H new ATOM 701 N PHE A 48 -0.518 6.176 -8.407 1.00 0.00 N ATOM 702 CA PHE A 48 -1.539 7.199 -8.218 1.00 0.00 C ATOM 703 C PHE A 48 -0.973 8.590 -8.489 1.00 0.00 C ATOM 704 O PHE A 48 -1.520 9.350 -9.288 1.00 0.00 O ATOM 705 CB PHE A 48 -2.100 7.133 -6.796 1.00 0.00 C ATOM 706 CG PHE A 48 -2.152 5.740 -6.236 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.799 4.727 -6.924 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.553 5.445 -5.022 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.849 3.444 -6.411 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.599 4.164 -4.504 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.247 3.162 -5.200 1.00 0.00 C ATOM 0 H PHE A 48 -0.155 5.777 -7.541 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.344 7.009 -8.928 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.488 7.756 -6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.105 7.556 -6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.270 4.942 -7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.044 6.225 -4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.358 2.663 -6.956 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.129 3.947 -3.556 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.283 2.160 -4.798 1.00 0.00 H new ATOM 721 N PHE A 49 0.127 8.916 -7.818 1.00 0.00 N ATOM 722 CA PHE A 49 0.767 10.215 -7.984 1.00 0.00 C ATOM 723 C PHE A 49 2.247 10.053 -8.321 1.00 0.00 C ATOM 724 O PHE A 49 3.113 10.059 -7.447 1.00 0.00 O ATOM 725 CB PHE A 49 0.611 11.051 -6.712 1.00 0.00 C ATOM 726 CG PHE A 49 -0.787 11.053 -6.165 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.763 11.864 -6.723 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.127 10.245 -5.092 1.00 0.00 C ATOM 729 CE1 PHE A 49 -3.050 11.868 -6.220 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.413 10.245 -4.585 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.376 11.057 -5.150 1.00 0.00 C ATOM 0 H PHE A 49 0.594 8.298 -7.154 1.00 0.00 H new ATOM 0 HA PHE A 49 0.278 10.730 -8.811 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.290 10.669 -5.950 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.912 12.077 -6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.515 12.500 -7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.378 9.607 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.801 12.505 -6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.664 9.611 -3.748 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.382 11.058 -4.757 1.00 0.00 H new ATOM 741 N PRO A 50 2.544 9.903 -9.621 1.00 0.00 N ATOM 742 CA PRO A 50 3.917 9.737 -10.105 1.00 0.00 C ATOM 743 C PRO A 50 4.741 11.012 -9.962 1.00 0.00 C ATOM 744 O PRO A 50 5.937 10.960 -9.679 1.00 0.00 O ATOM 745 CB PRO A 50 3.733 9.382 -11.582 1.00 0.00 C ATOM 746 CG PRO A 50 2.417 9.973 -11.952 1.00 0.00 C ATOM 747 CD PRO A 50 1.562 9.886 -10.718 1.00 0.00 C ATOM 0 HA PRO A 50 4.460 8.983 -9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.537 9.794 -12.191 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.739 8.303 -11.734 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.531 11.008 -12.276 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.964 9.428 -12.780 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.869 10.724 -10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.963 8.975 -10.707 1.00 0.00 H new ATOM 755 N GLU A 51 4.093 12.155 -10.161 1.00 0.00 N ATOM 756 CA GLU A 51 4.767 13.444 -10.054 1.00 0.00 C ATOM 757 C GLU A 51 5.147 13.741 -8.606 1.00 0.00 C ATOM 758 O GLU A 51 6.247 14.217 -8.328 1.00 0.00 O ATOM 759 CB GLU A 51 3.872 14.559 -10.597 1.00 0.00 C ATOM 760 CG GLU A 51 3.735 14.548 -12.110 1.00 0.00 C ATOM 761 CD GLU A 51 3.439 15.922 -12.680 1.00 0.00 C ATOM 762 OE1 GLU A 51 4.320 16.803 -12.590 1.00 0.00 O ATOM 763 OE2 GLU A 51 2.328 16.116 -13.216 1.00 0.00 O ATOM 0 H GLU A 51 3.103 12.215 -10.397 1.00 0.00 H new ATOM 0 HA GLU A 51 5.679 13.398 -10.649 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.882 14.468 -10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.276 15.522 -10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.656 14.166 -12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.937 13.862 -12.394 1.00 0.00 H new ATOM 770 N ALA A 52 4.228 13.457 -7.689 1.00 0.00 N ATOM 771 CA ALA A 52 4.466 13.692 -6.271 1.00 0.00 C ATOM 772 C ALA A 52 5.888 13.302 -5.881 1.00 0.00 C ATOM 773 O ALA A 52 6.525 13.970 -5.066 1.00 0.00 O ATOM 774 CB ALA A 52 3.457 12.923 -5.431 1.00 0.00 C ATOM 0 H ALA A 52 3.312 13.064 -7.903 1.00 0.00 H new ATOM 0 HA ALA A 52 4.344 14.758 -6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.647 13.108 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.449 13.253 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.551 11.856 -5.635 1.00 0.00 H new ATOM 780 N PHE A 53 6.380 12.215 -6.467 1.00 0.00 N ATOM 781 CA PHE A 53 7.726 11.735 -6.179 1.00 0.00 C ATOM 782 C PHE A 53 8.215 10.796 -7.278 1.00 0.00 C ATOM 783 O PHE A 53 7.439 10.022 -7.838 1.00 0.00 O ATOM 784 CB PHE A 53 7.757 11.017 -4.828 1.00 0.00 C ATOM 785 CG PHE A 53 7.168 9.636 -4.870 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.823 9.450 -5.144 1.00 0.00 C ATOM 787 CD2 PHE A 53 7.960 8.523 -4.635 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.278 8.181 -5.182 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.421 7.251 -4.672 1.00 0.00 C ATOM 790 CZ PHE A 53 6.078 7.080 -4.947 1.00 0.00 C ATOM 0 H PHE A 53 5.867 11.650 -7.144 1.00 0.00 H new ATOM 0 HA PHE A 53 8.391 12.597 -6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.789 10.953 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.213 11.613 -4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.193 10.307 -5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.011 8.651 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.227 8.050 -5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.049 6.392 -4.486 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.654 6.087 -4.978 1.00 0.00 H new ATOM 800 N ASP A 54 9.507 10.871 -7.580 1.00 0.00 N ATOM 801 CA ASP A 54 10.101 10.028 -8.611 1.00 0.00 C ATOM 802 C ASP A 54 10.379 8.627 -8.075 1.00 0.00 C ATOM 803 O ASP A 54 10.983 8.467 -7.014 1.00 0.00 O ATOM 804 CB ASP A 54 11.396 10.655 -9.130 1.00 0.00 C ATOM 805 CG ASP A 54 11.189 12.065 -9.647 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.731 12.923 -8.864 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.486 12.311 -10.835 1.00 0.00 O ATOM 0 H ASP A 54 10.163 11.507 -7.126 1.00 0.00 H new ATOM 0 HA ASP A 54 9.390 9.948 -9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.136 10.669 -8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.802 10.034 -9.928 1.00 0.00 H new ATOM 812 N TYR A 55 9.933 7.617 -8.813 1.00 0.00 N ATOM 813 CA TYR A 55 10.130 6.230 -8.410 1.00 0.00 C ATOM 814 C TYR A 55 11.521 5.741 -8.803 1.00 0.00 C ATOM 815 O TYR A 55 12.324 5.366 -7.949 1.00 0.00 O ATOM 816 CB TYR A 55 9.065 5.336 -9.045 1.00 0.00 C ATOM 817 CG TYR A 55 9.377 3.859 -8.949 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.186 3.165 -7.761 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.865 3.160 -10.046 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.471 1.816 -7.668 1.00 0.00 C ATOM 821 CE2 TYR A 55 10.151 1.811 -9.963 1.00 0.00 C ATOM 822 CZ TYR A 55 9.953 1.144 -8.772 1.00 0.00 C ATOM 823 OH TYR A 55 10.238 -0.200 -8.685 1.00 0.00 O ATOM 0 H TYR A 55 9.432 7.733 -9.694 1.00 0.00 H new ATOM 0 HA TYR A 55 10.039 6.177 -7.325 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.107 5.528 -8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.954 5.608 -10.095 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.808 3.689 -6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.023 3.680 -10.979 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.317 1.291 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.527 1.282 -10.826 1.00 0.00 H new ATOM 0 HH TYR A 55 10.567 -0.521 -9.550 1.00 0.00 H new ATOM 833 N GLY A 56 11.799 5.750 -10.103 1.00 0.00 N ATOM 834 CA GLY A 56 13.093 5.306 -10.588 1.00 0.00 C ATOM 835 C GLY A 56 14.243 5.934 -9.827 1.00 0.00 C ATOM 836 O GLY A 56 15.353 5.402 -9.818 1.00 0.00 O ATOM 0 H GLY A 56 11.151 6.057 -10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.156 4.221 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.185 5.551 -11.646 1.00 0.00 H new ATOM 840 N GLN A 57 13.979 7.070 -9.190 1.00 0.00 N ATOM 841 CA GLN A 57 15.003 7.772 -8.425 1.00 0.00 C ATOM 842 C GLN A 57 15.365 6.999 -7.161 1.00 0.00 C ATOM 843 O GLN A 57 16.524 6.973 -6.747 1.00 0.00 O ATOM 844 CB GLN A 57 14.522 9.177 -8.058 1.00 0.00 C ATOM 845 CG GLN A 57 14.717 10.196 -9.169 1.00 0.00 C ATOM 846 CD GLN A 57 16.172 10.570 -9.370 1.00 0.00 C ATOM 847 OE1 GLN A 57 17.061 9.723 -9.273 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.423 11.842 -9.654 1.00 0.00 N ATOM 0 H GLN A 57 13.066 7.524 -9.188 1.00 0.00 H new ATOM 0 HA GLN A 57 15.894 7.852 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.464 9.134 -7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.055 9.514 -7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.317 9.794 -10.100 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.144 11.094 -8.938 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.655 12.510 -9.725 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.384 12.152 -9.802 1.00 0.00 H new ATOM 857 N LEU A 58 14.365 6.371 -6.551 1.00 0.00 N ATOM 858 CA LEU A 58 14.577 5.597 -5.333 1.00 0.00 C ATOM 859 C LEU A 58 15.496 4.408 -5.597 1.00 0.00 C ATOM 860 O LEU A 58 15.855 4.130 -6.741 1.00 0.00 O ATOM 861 CB LEU A 58 13.239 5.109 -4.777 1.00 0.00 C ATOM 862 CG LEU A 58 12.203 6.192 -4.471 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.801 5.603 -4.469 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.506 6.859 -3.138 1.00 0.00 C ATOM 0 H LEU A 58 13.400 6.383 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 58 15.054 6.245 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.804 4.411 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.431 4.549 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 58 12.255 6.950 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.077 6.388 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.585 5.174 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.734 4.825 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.759 7.627 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.482 6.113 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.495 7.316 -3.176 1.00 0.00 H new ATOM 876 N SER A 59 15.871 3.709 -4.530 1.00 0.00 N ATOM 877 CA SER A 59 16.749 2.551 -4.645 1.00 0.00 C ATOM 878 C SER A 59 16.270 1.415 -3.747 1.00 0.00 C ATOM 879 O SER A 59 15.632 1.630 -2.716 1.00 0.00 O ATOM 880 CB SER A 59 18.185 2.934 -4.280 1.00 0.00 C ATOM 881 OG SER A 59 18.795 3.676 -5.322 1.00 0.00 O ATOM 0 H SER A 59 15.580 3.925 -3.576 1.00 0.00 H new ATOM 0 HA SER A 59 16.724 2.209 -5.680 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.186 3.522 -3.362 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.766 2.033 -4.082 1.00 0.00 H new ATOM 0 HG SER A 59 19.711 3.910 -5.064 1.00 0.00 H new ATOM 887 N PRO A 60 16.584 0.173 -4.147 1.00 0.00 N ATOM 888 CA PRO A 60 16.196 -1.023 -3.393 1.00 0.00 C ATOM 889 C PRO A 60 16.955 -1.150 -2.077 1.00 0.00 C ATOM 890 O PRO A 60 16.451 -1.727 -1.114 1.00 0.00 O ATOM 891 CB PRO A 60 16.565 -2.171 -4.336 1.00 0.00 C ATOM 892 CG PRO A 60 17.649 -1.621 -5.198 1.00 0.00 C ATOM 893 CD PRO A 60 17.342 -0.158 -5.365 1.00 0.00 C ATOM 0 HA PRO A 60 15.143 -1.005 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.906 -3.045 -3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.708 -2.486 -4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.626 -1.765 -4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.675 -2.127 -6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.252 0.437 -5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.757 0.030 -6.266 1.00 0.00 H new ATOM 901 N GLN A 61 18.167 -0.606 -2.043 1.00 0.00 N ATOM 902 CA GLN A 61 18.995 -0.659 -0.844 1.00 0.00 C ATOM 903 C GLN A 61 18.383 0.173 0.277 1.00 0.00 C ATOM 904 O GLN A 61 18.562 -0.128 1.457 1.00 0.00 O ATOM 905 CB GLN A 61 20.408 -0.162 -1.151 1.00 0.00 C ATOM 906 CG GLN A 61 21.325 -0.145 0.062 1.00 0.00 C ATOM 907 CD GLN A 61 21.912 -1.509 0.368 1.00 0.00 C ATOM 908 OE1 GLN A 61 21.198 -2.512 0.400 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.219 -1.554 0.595 1.00 0.00 N ATOM 0 H GLN A 61 18.597 -0.124 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 61 19.047 -1.697 -0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.848 -0.797 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.348 0.845 -1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 61 22.134 0.565 -0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 61 20.768 0.210 0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.773 -0.698 0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 61 23.670 -2.444 0.806 1.00 0.00 H new ATOM 918 N ASN A 62 17.659 1.223 -0.099 1.00 0.00 N ATOM 919 CA ASN A 62 17.021 2.100 0.875 1.00 0.00 C ATOM 920 C ASN A 62 15.889 1.377 1.599 1.00 0.00 C ATOM 921 O ASN A 62 14.843 1.097 1.014 1.00 0.00 O ATOM 922 CB ASN A 62 16.481 3.355 0.186 1.00 0.00 C ATOM 923 CG ASN A 62 17.524 4.450 0.078 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.131 4.845 1.074 1.00 0.00 O ATOM 925 ND2 ASN A 62 17.738 4.946 -1.135 1.00 0.00 N ATOM 0 H ASN A 62 17.500 1.487 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 62 17.771 2.391 1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.127 3.095 -0.812 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.621 3.730 0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.429 5.684 -1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.212 4.588 -1.932 1.00 0.00 H new ATOM 932 N ARG A 63 16.106 1.078 2.876 1.00 0.00 N ATOM 933 CA ARG A 63 15.106 0.387 3.680 1.00 0.00 C ATOM 934 C ARG A 63 14.120 1.379 4.291 1.00 0.00 C ATOM 935 O ARG A 63 12.919 1.116 4.357 1.00 0.00 O ATOM 936 CB ARG A 63 15.781 -0.424 4.787 1.00 0.00 C ATOM 937 CG ARG A 63 16.898 -1.325 4.286 1.00 0.00 C ATOM 938 CD ARG A 63 16.364 -2.428 3.386 1.00 0.00 C ATOM 939 NE ARG A 63 17.194 -3.629 3.440 1.00 0.00 N ATOM 940 CZ ARG A 63 16.770 -4.832 3.070 1.00 0.00 C ATOM 941 NH1 ARG A 63 15.533 -4.994 2.622 1.00 0.00 N ATOM 942 NH2 ARG A 63 17.585 -5.877 3.148 1.00 0.00 N ATOM 0 H ARG A 63 16.966 1.304 3.376 1.00 0.00 H new ATOM 0 HA ARG A 63 14.556 -0.291 3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.185 0.261 5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.030 -1.035 5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 63 17.629 -0.730 3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.419 -1.767 5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.346 -2.678 3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.316 -2.066 2.359 1.00 0.00 H new ATOM 0 HE ARG A 63 18.151 -3.539 3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.904 -4.193 2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.210 -5.919 2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 63 18.538 -5.756 3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.259 -6.801 2.864 1.00 0.00 H new ATOM 956 N ARG A 64 14.636 2.520 4.737 1.00 0.00 N ATOM 957 CA ARG A 64 13.802 3.550 5.345 1.00 0.00 C ATOM 958 C ARG A 64 13.214 4.471 4.280 1.00 0.00 C ATOM 959 O ARG A 64 11.997 4.539 4.109 1.00 0.00 O ATOM 960 CB ARG A 64 14.616 4.368 6.349 1.00 0.00 C ATOM 961 CG ARG A 64 14.968 3.604 7.615 1.00 0.00 C ATOM 962 CD ARG A 64 15.730 4.477 8.599 1.00 0.00 C ATOM 963 NE ARG A 64 14.853 5.426 9.281 1.00 0.00 N ATOM 964 CZ ARG A 64 15.220 6.131 10.346 1.00 0.00 C ATOM 965 NH1 ARG A 64 16.440 5.995 10.846 1.00 0.00 N ATOM 966 NH2 ARG A 64 14.366 6.974 10.911 1.00 0.00 N ATOM 0 H ARG A 64 15.628 2.754 4.689 1.00 0.00 H new ATOM 0 HA ARG A 64 12.982 3.057 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.536 4.704 5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.052 5.261 6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.056 3.236 8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.570 2.732 7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.224 3.845 9.337 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.512 5.022 8.070 1.00 0.00 H new ATOM 0 HE ARG A 64 13.908 5.554 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.099 5.348 10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.719 6.537 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.427 7.082 10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.649 7.515 11.728 1.00 0.00 H new ATOM 980 N GLN A 65 14.086 5.176 3.568 1.00 0.00 N ATOM 981 CA GLN A 65 13.652 6.094 2.521 1.00 0.00 C ATOM 982 C GLN A 65 12.467 5.520 1.751 1.00 0.00 C ATOM 983 O GLN A 65 11.444 6.183 1.584 1.00 0.00 O ATOM 984 CB GLN A 65 14.805 6.387 1.559 1.00 0.00 C ATOM 985 CG GLN A 65 14.679 7.724 0.847 1.00 0.00 C ATOM 986 CD GLN A 65 16.023 8.310 0.465 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.977 8.264 1.241 1.00 0.00 O ATOM 988 NE2 GLN A 65 16.106 8.867 -0.738 1.00 0.00 N ATOM 0 H GLN A 65 15.097 5.130 3.696 1.00 0.00 H new ATOM 0 HA GLN A 65 13.339 7.024 2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.743 6.367 2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.857 5.592 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.074 7.598 -0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.151 8.426 1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.290 8.883 -1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.986 9.278 -1.050 1.00 0.00 H new ATOM 997 N ASN A 66 12.612 4.284 1.286 1.00 0.00 N ATOM 998 CA ASN A 66 11.553 3.621 0.533 1.00 0.00 C ATOM 999 C ASN A 66 10.215 3.741 1.256 1.00 0.00 C ATOM 1000 O ASN A 66 9.198 4.080 0.650 1.00 0.00 O ATOM 1001 CB ASN A 66 11.898 2.146 0.317 1.00 0.00 C ATOM 1002 CG ASN A 66 12.895 1.944 -0.808 1.00 0.00 C ATOM 1003 OD1 ASN A 66 13.226 2.882 -1.534 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.377 0.716 -0.958 1.00 0.00 N ATOM 0 H ASN A 66 13.452 3.721 1.417 1.00 0.00 H new ATOM 0 HA ASN A 66 11.468 4.113 -0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.306 1.732 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.986 1.591 0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.050 0.519 -1.699 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.074 -0.031 -0.333 1.00 0.00 H new ATOM 1011 N PHE A 67 10.223 3.462 2.555 1.00 0.00 N ATOM 1012 CA PHE A 67 9.011 3.539 3.361 1.00 0.00 C ATOM 1013 C PHE A 67 8.570 4.988 3.546 1.00 0.00 C ATOM 1014 O PHE A 67 7.443 5.352 3.212 1.00 0.00 O ATOM 1015 CB PHE A 67 9.238 2.885 4.726 1.00 0.00 C ATOM 1016 CG PHE A 67 9.038 1.397 4.719 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.965 0.563 4.116 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.923 0.832 5.316 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.783 -0.807 4.107 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.735 -0.538 5.311 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.667 -1.358 4.707 1.00 0.00 C ATOM 0 H PHE A 67 11.056 3.180 3.072 1.00 0.00 H new ATOM 0 HA PHE A 67 8.221 3.002 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.251 3.106 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.558 3.331 5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.840 0.988 3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.192 1.469 5.791 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.512 -1.446 3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.861 -0.966 5.779 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.524 -2.428 4.703 1.00 0.00 H new ATOM 1031 N GLU A 68 9.468 5.810 4.080 1.00 0.00 N ATOM 1032 CA GLU A 68 9.172 7.219 4.310 1.00 0.00 C ATOM 1033 C GLU A 68 8.579 7.861 3.059 1.00 0.00 C ATOM 1034 O GLU A 68 7.411 8.253 3.043 1.00 0.00 O ATOM 1035 CB GLU A 68 10.439 7.968 4.729 1.00 0.00 C ATOM 1036 CG GLU A 68 11.182 7.310 5.879 1.00 0.00 C ATOM 1037 CD GLU A 68 12.041 8.289 6.655 1.00 0.00 C ATOM 1038 OE1 GLU A 68 11.522 9.359 7.037 1.00 0.00 O ATOM 1039 OE2 GLU A 68 13.231 7.987 6.881 1.00 0.00 O ATOM 0 H GLU A 68 10.406 5.524 4.361 1.00 0.00 H new ATOM 0 HA GLU A 68 8.438 7.283 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.107 8.043 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.172 8.985 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.462 6.849 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.811 6.510 5.489 1.00 0.00 H new ATOM 1046 N VAL A 69 9.391 7.967 2.013 1.00 0.00 N ATOM 1047 CA VAL A 69 8.948 8.561 0.757 1.00 0.00 C ATOM 1048 C VAL A 69 7.556 8.069 0.378 1.00 0.00 C ATOM 1049 O VAL A 69 6.673 8.863 0.054 1.00 0.00 O ATOM 1050 CB VAL A 69 9.924 8.241 -0.390 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.410 8.812 -1.703 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.312 8.777 -0.074 1.00 0.00 C ATOM 0 H VAL A 69 10.360 7.649 2.010 1.00 0.00 H new ATOM 0 HA VAL A 69 8.920 9.640 0.909 1.00 0.00 H new ATOM 0 HB VAL A 69 9.993 7.158 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.113 8.576 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.438 8.376 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.310 9.894 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.989 8.542 -0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.263 9.858 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.680 8.316 0.843 1.00 0.00 H new ATOM 1062 N ALA A 70 7.367 6.754 0.421 1.00 0.00 N ATOM 1063 CA ALA A 70 6.081 6.156 0.084 1.00 0.00 C ATOM 1064 C ALA A 70 4.957 6.767 0.914 1.00 0.00 C ATOM 1065 O ALA A 70 3.844 6.959 0.424 1.00 0.00 O ATOM 1066 CB ALA A 70 6.131 4.649 0.288 1.00 0.00 C ATOM 0 H ALA A 70 8.088 6.083 0.686 1.00 0.00 H new ATOM 0 HA ALA A 70 5.875 6.363 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.164 4.215 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.902 4.220 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.363 4.430 1.330 1.00 0.00 H new ATOM 1072 N PHE A 71 5.255 7.070 2.173 1.00 0.00 N ATOM 1073 CA PHE A 71 4.269 7.658 3.072 1.00 0.00 C ATOM 1074 C PHE A 71 4.060 9.137 2.758 1.00 0.00 C ATOM 1075 O PHE A 71 3.003 9.535 2.268 1.00 0.00 O ATOM 1076 CB PHE A 71 4.710 7.492 4.527 1.00 0.00 C ATOM 1077 CG PHE A 71 4.645 6.073 5.015 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.456 5.363 4.966 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.773 5.449 5.524 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.393 4.057 5.414 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.716 4.143 5.972 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.524 3.446 5.919 1.00 0.00 C ATOM 0 H PHE A 71 6.172 6.918 2.594 1.00 0.00 H new ATOM 0 HA PHE A 71 3.324 7.136 2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.731 7.858 4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.081 8.115 5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.568 5.836 4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.707 5.989 5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.460 3.515 5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.603 3.667 6.363 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.477 2.426 6.272 1.00 0.00 H new ATOM 1092 N SER A 72 5.075 9.946 3.045 1.00 0.00 N ATOM 1093 CA SER A 72 5.002 11.381 2.798 1.00 0.00 C ATOM 1094 C SER A 72 4.286 11.670 1.481 1.00 0.00 C ATOM 1095 O SER A 72 3.250 12.335 1.458 1.00 0.00 O ATOM 1096 CB SER A 72 6.406 11.987 2.771 1.00 0.00 C ATOM 1097 OG SER A 72 7.055 11.825 4.020 1.00 0.00 O ATOM 0 H SER A 72 5.957 9.632 3.449 1.00 0.00 H new ATOM 0 HA SER A 72 4.433 11.836 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.996 11.512 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.343 13.047 2.525 1.00 0.00 H new ATOM 0 HG SER A 72 7.951 12.219 3.976 1.00 0.00 H new ATOM 1103 N SER A 73 4.846 11.164 0.387 1.00 0.00 N ATOM 1104 CA SER A 73 4.265 11.371 -0.934 1.00 0.00 C ATOM 1105 C SER A 73 2.742 11.309 -0.873 1.00 0.00 C ATOM 1106 O SER A 73 2.051 12.047 -1.576 1.00 0.00 O ATOM 1107 CB SER A 73 4.790 10.320 -1.915 1.00 0.00 C ATOM 1108 OG SER A 73 4.133 9.078 -1.732 1.00 0.00 O ATOM 0 H SER A 73 5.701 10.608 0.389 1.00 0.00 H new ATOM 0 HA SER A 73 4.558 12.362 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.641 10.666 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.863 10.191 -1.775 1.00 0.00 H new ATOM 0 HG SER A 73 4.319 8.739 -0.832 1.00 0.00 H new ATOM 1114 N ALA A 74 2.225 10.425 -0.027 1.00 0.00 N ATOM 1115 CA ALA A 74 0.784 10.268 0.129 1.00 0.00 C ATOM 1116 C ALA A 74 0.190 11.417 0.935 1.00 0.00 C ATOM 1117 O ALA A 74 -0.666 12.153 0.446 1.00 0.00 O ATOM 1118 CB ALA A 74 0.467 8.936 0.792 1.00 0.00 C ATOM 0 H ALA A 74 2.783 9.806 0.561 1.00 0.00 H new ATOM 0 HA ALA A 74 0.333 10.284 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.612 8.832 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.849 8.123 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.937 8.898 1.775 1.00 0.00 H new ATOM 1124 N GLU A 75 0.651 11.565 2.174 1.00 0.00 N ATOM 1125 CA GLU A 75 0.163 12.626 3.048 1.00 0.00 C ATOM 1126 C GLU A 75 0.164 13.970 2.325 1.00 0.00 C ATOM 1127 O GLU A 75 -0.576 14.885 2.689 1.00 0.00 O ATOM 1128 CB GLU A 75 1.022 12.712 4.311 1.00 0.00 C ATOM 1129 CG GLU A 75 0.580 13.800 5.275 1.00 0.00 C ATOM 1130 CD GLU A 75 1.377 13.795 6.565 1.00 0.00 C ATOM 1131 OE1 GLU A 75 2.497 14.348 6.572 1.00 0.00 O ATOM 1132 OE2 GLU A 75 0.881 13.239 7.567 1.00 0.00 O ATOM 0 H GLU A 75 1.360 10.965 2.594 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.862 12.387 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.995 11.751 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.058 12.892 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.683 14.772 4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.477 13.669 5.505 1.00 0.00 H new ATOM 1139 N THR A 76 1.002 14.083 1.299 1.00 0.00 N ATOM 1140 CA THR A 76 1.102 15.315 0.526 1.00 0.00 C ATOM 1141 C THR A 76 -0.279 15.855 0.171 1.00 0.00 C ATOM 1142 O THR A 76 -0.717 16.870 0.714 1.00 0.00 O ATOM 1143 CB THR A 76 1.906 15.101 -0.770 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.146 14.447 -0.475 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.178 16.427 -1.463 1.00 0.00 C ATOM 0 H THR A 76 1.621 13.336 0.984 1.00 0.00 H new ATOM 0 HA THR A 76 1.622 16.040 1.152 1.00 0.00 H new ATOM 0 HB THR A 76 1.316 14.474 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.718 14.455 -1.271 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.747 16.251 -2.376 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.232 16.908 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.750 17.074 -0.798 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.960 15.170 -0.742 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.293 15.581 -1.168 1.00 0.00 C ATOM 1155 C HIS A 77 -3.350 14.604 -0.664 1.00 0.00 C ATOM 1156 O HIS A 77 -4.543 14.905 -0.674 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.357 15.679 -2.692 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.469 14.697 -3.393 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.744 15.010 -4.523 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.189 13.402 -3.115 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -0.059 13.950 -4.912 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.310 12.960 -4.074 1.00 0.00 N ATOM 0 H HIS A 77 -0.611 14.328 -1.201 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.498 16.562 -0.740 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.386 15.521 -3.015 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.079 16.688 -2.995 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.583 12.824 -2.292 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.595 13.901 -5.770 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.084 12.021 -4.130 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.904 13.431 -0.225 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.811 12.410 0.283 1.00 0.00 C ATOM 1173 C ALA A 78 -4.034 12.571 1.783 1.00 0.00 C ATOM 1174 O ALA A 78 -5.051 12.133 2.320 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.271 11.022 -0.027 1.00 0.00 C ATOM 0 H ALA A 78 -1.919 13.165 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.772 12.533 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.959 10.269 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.171 10.903 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.296 10.897 0.444 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.076 13.201 2.454 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.167 13.419 3.893 1.00 0.00 C ATOM 1183 C ASP A 79 -3.629 12.153 4.607 1.00 0.00 C ATOM 1184 O ASP A 79 -4.572 12.183 5.398 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.129 14.570 4.195 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.759 15.315 5.462 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.561 15.621 5.643 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.667 15.595 6.273 1.00 0.00 O ATOM 0 H ASP A 79 -2.227 13.570 2.024 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.174 13.679 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.134 15.266 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.142 14.178 4.290 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.959 11.042 4.322 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.302 9.763 4.935 1.00 0.00 C ATOM 1195 C CYS A 80 -2.783 9.691 6.368 1.00 0.00 C ATOM 1196 O CYS A 80 -1.681 10.144 6.678 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.727 8.609 4.113 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.705 7.024 4.982 1.00 0.00 S ATOM 0 H CYS A 80 -2.175 11.001 3.671 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.388 9.678 4.956 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.311 8.502 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.710 8.861 3.814 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.642 6.357 4.642 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.596 9.111 7.263 1.00 0.00 N ATOM 1205 CA PRO A 81 -3.241 8.967 8.678 1.00 0.00 C ATOM 1206 C PRO A 81 -2.120 7.957 8.894 1.00 0.00 C ATOM 1207 O PRO A 81 -2.374 6.781 9.154 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.539 8.472 9.321 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.275 7.796 8.216 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.924 8.550 6.963 1.00 0.00 C ATOM 0 HA PRO A 81 -2.868 9.900 9.102 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.337 7.783 10.141 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.117 9.299 9.734 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.983 6.749 8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.350 7.815 8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.896 7.893 6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.652 9.333 6.748 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.880 8.423 8.786 1.00 0.00 N ATOM 1219 CA GLN A 82 0.280 7.558 8.970 1.00 0.00 C ATOM 1220 C GLN A 82 0.083 6.630 10.164 1.00 0.00 C ATOM 1221 O GLN A 82 0.276 7.030 11.313 1.00 0.00 O ATOM 1222 CB GLN A 82 1.543 8.399 9.165 1.00 0.00 C ATOM 1223 CG GLN A 82 2.119 8.942 7.868 1.00 0.00 C ATOM 1224 CD GLN A 82 3.292 9.875 8.095 1.00 0.00 C ATOM 1225 OE1 GLN A 82 3.782 10.012 9.216 1.00 0.00 O ATOM 1226 NE2 GLN A 82 3.748 10.523 7.030 1.00 0.00 N ATOM 0 H GLN A 82 -0.653 9.394 8.572 1.00 0.00 H new ATOM 0 HA GLN A 82 0.393 6.948 8.074 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.315 9.233 9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.300 7.793 9.663 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.438 8.110 7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.338 9.472 7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.311 10.379 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.535 11.165 7.122 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.303 5.390 9.885 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.527 4.404 10.937 1.00 0.00 C ATOM 1237 C LEU A 83 0.754 3.635 11.244 1.00 0.00 C ATOM 1238 O LEU A 83 1.252 3.662 12.371 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.633 3.431 10.524 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.848 4.049 9.831 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.826 2.967 9.401 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.530 5.054 10.749 1.00 0.00 C ATOM 0 H LEU A 83 -0.467 5.043 8.940 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.836 4.934 11.838 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.202 2.684 9.858 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.977 2.904 11.414 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.506 4.574 8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.684 3.426 8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.333 2.285 8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.163 2.412 10.277 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.393 5.484 10.240 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.859 4.551 11.659 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.828 5.847 11.006 1.00 0.00 H new ATOM 1254 N LEU A 84 1.285 2.953 10.236 1.00 0.00 N ATOM 1255 CA LEU A 84 2.510 2.178 10.397 1.00 0.00 C ATOM 1256 C LEU A 84 3.630 3.043 10.966 1.00 0.00 C ATOM 1257 O LEU A 84 3.592 4.270 10.866 1.00 0.00 O ATOM 1258 CB LEU A 84 2.941 1.583 9.056 1.00 0.00 C ATOM 1259 CG LEU A 84 1.873 0.794 8.297 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.136 0.842 6.800 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.825 -0.646 8.786 1.00 0.00 C ATOM 0 H LEU A 84 0.886 2.921 9.298 1.00 0.00 H new ATOM 0 HA LEU A 84 2.309 1.368 11.098 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.288 2.394 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.794 0.927 9.230 1.00 0.00 H new ATOM 0 HG LEU A 84 0.904 1.254 8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.366 0.275 6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.118 1.878 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.113 0.408 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.059 -1.192 8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.794 -1.118 8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.587 -0.661 9.850 1.00 0.00 H new ATOM 1273 N ASP A 85 4.627 2.396 11.561 1.00 0.00 N ATOM 1274 CA ASP A 85 5.760 3.106 12.143 1.00 0.00 C ATOM 1275 C ASP A 85 7.070 2.654 11.504 1.00 0.00 C ATOM 1276 O ASP A 85 7.749 1.764 12.017 1.00 0.00 O ATOM 1277 CB ASP A 85 5.810 2.878 13.654 1.00 0.00 C ATOM 1278 CG ASP A 85 5.461 1.453 14.037 1.00 0.00 C ATOM 1279 OD1 ASP A 85 5.406 0.592 13.133 1.00 0.00 O ATOM 1280 OD2 ASP A 85 5.244 1.199 15.240 1.00 0.00 O ATOM 0 H ASP A 85 4.673 1.381 11.653 1.00 0.00 H new ATOM 0 HA ASP A 85 5.630 4.171 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.808 3.116 14.021 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.118 3.563 14.145 1.00 0.00 H new ATOM 1285 N THR A 86 7.419 3.274 10.381 1.00 0.00 N ATOM 1286 CA THR A 86 8.646 2.935 9.671 1.00 0.00 C ATOM 1287 C THR A 86 9.768 2.592 10.644 1.00 0.00 C ATOM 1288 O THR A 86 10.460 1.588 10.479 1.00 0.00 O ATOM 1289 CB THR A 86 9.106 4.089 8.761 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.980 4.651 8.076 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.132 3.604 7.748 1.00 0.00 C ATOM 0 H THR A 86 6.869 4.014 9.944 1.00 0.00 H new ATOM 0 HA THR A 86 8.424 2.063 9.055 1.00 0.00 H new ATOM 0 HB THR A 86 9.569 4.853 9.386 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.280 5.385 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.442 4.437 7.117 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.000 3.204 8.272 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.691 2.823 7.128 1.00 0.00 H new ATOM 1299 N GLU A 87 9.941 3.433 11.659 1.00 0.00 N ATOM 1300 CA GLU A 87 10.981 3.217 12.659 1.00 0.00 C ATOM 1301 C GLU A 87 10.929 1.791 13.199 1.00 0.00 C ATOM 1302 O GLU A 87 11.959 1.131 13.337 1.00 0.00 O ATOM 1303 CB GLU A 87 10.828 4.215 13.809 1.00 0.00 C ATOM 1304 CG GLU A 87 11.137 5.650 13.415 1.00 0.00 C ATOM 1305 CD GLU A 87 12.620 5.962 13.466 1.00 0.00 C ATOM 1306 OE1 GLU A 87 13.403 5.227 12.829 1.00 0.00 O ATOM 1307 OE2 GLU A 87 12.996 6.942 14.142 1.00 0.00 O ATOM 0 H GLU A 87 9.376 4.269 11.811 1.00 0.00 H new ATOM 0 HA GLU A 87 11.948 3.370 12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.808 4.163 14.190 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.489 3.921 14.625 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.765 5.834 12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.604 6.329 14.081 1.00 0.00 H new ATOM 1314 N ASP A 88 9.724 1.323 13.503 1.00 0.00 N ATOM 1315 CA ASP A 88 9.537 -0.025 14.027 1.00 0.00 C ATOM 1316 C ASP A 88 9.549 -1.053 12.900 1.00 0.00 C ATOM 1317 O ASP A 88 9.994 -2.185 13.085 1.00 0.00 O ATOM 1318 CB ASP A 88 8.221 -0.116 14.802 1.00 0.00 C ATOM 1319 CG ASP A 88 8.274 -1.146 15.913 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.389 -1.455 16.383 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.200 -1.644 16.312 1.00 0.00 O ATOM 0 H ASP A 88 8.862 1.857 13.396 1.00 0.00 H new ATOM 0 HA ASP A 88 10.364 -0.243 14.703 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.984 0.860 15.226 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.414 -0.369 14.114 1.00 0.00 H new ATOM 1326 N MET A 89 9.057 -0.650 11.733 1.00 0.00 N ATOM 1327 CA MET A 89 9.012 -1.537 10.576 1.00 0.00 C ATOM 1328 C MET A 89 10.415 -1.992 10.185 1.00 0.00 C ATOM 1329 O MET A 89 10.649 -3.176 9.941 1.00 0.00 O ATOM 1330 CB MET A 89 8.343 -0.834 9.393 1.00 0.00 C ATOM 1331 CG MET A 89 6.915 -0.395 9.675 1.00 0.00 C ATOM 1332 SD MET A 89 6.064 0.190 8.198 1.00 0.00 S ATOM 1333 CE MET A 89 5.233 -1.307 7.671 1.00 0.00 C ATOM 0 H MET A 89 8.684 0.284 11.563 1.00 0.00 H new ATOM 0 HA MET A 89 8.426 -2.416 10.846 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.935 0.039 9.118 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.345 -1.505 8.534 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.360 -1.230 10.103 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.924 0.398 10.423 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.429 -1.053 6.980 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.947 -1.963 7.172 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.817 -1.817 8.540 1.00 0.00 H new ATOM 1343 N VAL A 90 11.345 -1.044 10.127 1.00 0.00 N ATOM 1344 CA VAL A 90 12.725 -1.348 9.766 1.00 0.00 C ATOM 1345 C VAL A 90 13.286 -2.467 10.636 1.00 0.00 C ATOM 1346 O VAL A 90 13.524 -3.577 10.160 1.00 0.00 O ATOM 1347 CB VAL A 90 13.627 -0.106 9.901 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.092 -0.512 9.937 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.363 0.868 8.763 1.00 0.00 C ATOM 0 H VAL A 90 11.168 -0.059 10.325 1.00 0.00 H new ATOM 0 HA VAL A 90 12.717 -1.670 8.725 1.00 0.00 H new ATOM 0 HB VAL A 90 13.391 0.394 10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.714 0.378 10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.266 -1.170 10.788 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.347 -1.036 9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.008 1.740 8.873 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.572 0.380 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.320 1.183 8.788 1.00 0.00 H new ATOM 1359 N ARG A 91 13.496 -2.167 11.914 1.00 0.00 N ATOM 1360 CA ARG A 91 14.030 -3.148 12.851 1.00 0.00 C ATOM 1361 C ARG A 91 13.259 -4.462 12.762 1.00 0.00 C ATOM 1362 O ARG A 91 13.853 -5.540 12.716 1.00 0.00 O ATOM 1363 CB ARG A 91 13.970 -2.605 14.280 1.00 0.00 C ATOM 1364 CG ARG A 91 12.616 -2.027 14.655 1.00 0.00 C ATOM 1365 CD ARG A 91 12.593 -1.552 16.100 1.00 0.00 C ATOM 1366 NE ARG A 91 12.263 -2.632 17.026 1.00 0.00 N ATOM 1367 CZ ARG A 91 12.309 -2.506 18.348 1.00 0.00 C ATOM 1368 NH1 ARG A 91 12.668 -1.353 18.895 1.00 0.00 N ATOM 1369 NH2 ARG A 91 11.994 -3.535 19.124 1.00 0.00 N ATOM 0 H ARG A 91 13.304 -1.253 12.324 1.00 0.00 H new ATOM 0 HA ARG A 91 15.070 -3.338 12.585 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.218 -3.407 14.975 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.731 -1.833 14.399 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.379 -1.194 13.993 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.843 -2.782 14.507 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.566 -1.136 16.360 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.864 -0.748 16.206 1.00 0.00 H new ATOM 0 HE ARG A 91 11.982 -3.532 16.637 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.910 -0.560 18.301 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.702 -1.259 19.910 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.716 -4.423 18.706 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.029 -3.438 20.139 1.00 0.00 H new ATOM 1383 N LEU A 92 11.935 -4.364 12.738 1.00 0.00 N ATOM 1384 CA LEU A 92 11.082 -5.544 12.655 1.00 0.00 C ATOM 1385 C LEU A 92 11.374 -6.339 11.386 1.00 0.00 C ATOM 1386 O LEU A 92 11.197 -5.840 10.275 1.00 0.00 O ATOM 1387 CB LEU A 92 9.608 -5.136 12.687 1.00 0.00 C ATOM 1388 CG LEU A 92 9.081 -4.628 14.029 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.846 -3.764 13.825 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.771 -5.794 14.957 1.00 0.00 C ATOM 0 H LEU A 92 11.428 -3.479 12.775 1.00 0.00 H new ATOM 0 HA LEU A 92 11.296 -6.177 13.516 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.451 -4.358 11.940 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.008 -5.994 12.385 1.00 0.00 H new ATOM 0 HG LEU A 92 9.855 -4.016 14.493 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.485 -3.411 14.791 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.100 -2.909 13.198 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.067 -4.352 13.339 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.397 -5.413 15.907 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.015 -6.432 14.499 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.678 -6.373 15.130 1.00 0.00 H new ATOM 1402 N ARG A 93 11.820 -7.578 11.560 1.00 0.00 N ATOM 1403 CA ARG A 93 12.136 -8.442 10.429 1.00 0.00 C ATOM 1404 C ARG A 93 11.109 -8.274 9.313 1.00 0.00 C ATOM 1405 O ARG A 93 11.461 -8.224 8.135 1.00 0.00 O ATOM 1406 CB ARG A 93 12.185 -9.905 10.875 1.00 0.00 C ATOM 1407 CG ARG A 93 13.557 -10.350 11.353 1.00 0.00 C ATOM 1408 CD ARG A 93 14.482 -10.655 10.185 1.00 0.00 C ATOM 1409 NE ARG A 93 15.795 -11.114 10.632 1.00 0.00 N ATOM 1410 CZ ARG A 93 16.726 -10.307 11.128 1.00 0.00 C ATOM 1411 NH1 ARG A 93 16.490 -9.007 11.241 1.00 0.00 N ATOM 1412 NH2 ARG A 93 17.896 -10.800 11.513 1.00 0.00 N ATOM 0 H ARG A 93 11.971 -8.006 12.473 1.00 0.00 H new ATOM 0 HA ARG A 93 13.115 -8.153 10.046 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.463 -10.056 11.678 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.875 -10.540 10.045 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.998 -9.570 11.974 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.456 -11.236 11.979 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.028 -11.417 9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.600 -9.761 9.573 1.00 0.00 H new ATOM 0 HE ARG A 93 16.008 -12.109 10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.592 -8.624 10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.207 -8.390 11.622 1.00 0.00 H new ATOM 0 HH21 ARG A 93 18.081 -11.799 11.428 1.00 0.00 H new ATOM 0 HH22 ARG A 93 18.610 -10.180 11.894 1.00 0.00 H new ATOM 1426 N GLU A 94 9.838 -8.188 9.693 1.00 0.00 N ATOM 1427 CA GLU A 94 8.760 -8.027 8.724 1.00 0.00 C ATOM 1428 C GLU A 94 7.558 -7.332 9.358 1.00 0.00 C ATOM 1429 O GLU A 94 7.237 -7.537 10.528 1.00 0.00 O ATOM 1430 CB GLU A 94 8.341 -9.387 8.164 1.00 0.00 C ATOM 1431 CG GLU A 94 9.502 -10.213 7.636 1.00 0.00 C ATOM 1432 CD GLU A 94 9.088 -11.617 7.242 1.00 0.00 C ATOM 1433 OE1 GLU A 94 7.906 -11.811 6.889 1.00 0.00 O ATOM 1434 OE2 GLU A 94 9.946 -12.523 7.287 1.00 0.00 O ATOM 0 H GLU A 94 9.530 -8.227 10.664 1.00 0.00 H new ATOM 0 HA GLU A 94 9.128 -7.405 7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.831 -9.951 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.621 -9.233 7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.937 -9.711 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.280 -10.268 8.398 1.00 0.00 H new ATOM 1441 N PRO A 95 6.878 -6.490 8.566 1.00 0.00 N ATOM 1442 CA PRO A 95 5.700 -5.748 9.027 1.00 0.00 C ATOM 1443 C PRO A 95 4.498 -6.655 9.261 1.00 0.00 C ATOM 1444 O PRO A 95 4.087 -7.399 8.370 1.00 0.00 O ATOM 1445 CB PRO A 95 5.421 -4.776 7.878 1.00 0.00 C ATOM 1446 CG PRO A 95 6.002 -5.435 6.675 1.00 0.00 C ATOM 1447 CD PRO A 95 7.204 -6.197 7.161 1.00 0.00 C ATOM 0 HA PRO A 95 5.876 -5.258 9.985 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.352 -4.603 7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.883 -3.805 8.060 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.278 -6.104 6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.285 -4.697 5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.360 -7.110 6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.116 -5.606 7.075 1.00 0.00 H new ATOM 1455 N ASP A 96 3.938 -6.589 10.464 1.00 0.00 N ATOM 1456 CA ASP A 96 2.781 -7.405 10.815 1.00 0.00 C ATOM 1457 C ASP A 96 1.679 -7.262 9.769 1.00 0.00 C ATOM 1458 O ASP A 96 1.074 -6.199 9.632 1.00 0.00 O ATOM 1459 CB ASP A 96 2.248 -7.007 12.192 1.00 0.00 C ATOM 1460 CG ASP A 96 2.905 -7.787 13.314 1.00 0.00 C ATOM 1461 OD1 ASP A 96 4.013 -7.397 13.738 1.00 0.00 O ATOM 1462 OD2 ASP A 96 2.311 -8.789 13.767 1.00 0.00 O ATOM 0 H ASP A 96 4.266 -5.979 11.213 1.00 0.00 H new ATOM 0 HA ASP A 96 3.098 -8.448 10.844 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.414 -5.941 12.349 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.171 -7.170 12.222 1.00 0.00 H new ATOM 1467 N TRP A 97 1.425 -8.339 9.035 1.00 0.00 N ATOM 1468 CA TRP A 97 0.396 -8.333 8.001 1.00 0.00 C ATOM 1469 C TRP A 97 -0.858 -7.614 8.485 1.00 0.00 C ATOM 1470 O TRP A 97 -1.488 -6.868 7.734 1.00 0.00 O ATOM 1471 CB TRP A 97 0.051 -9.765 7.587 1.00 0.00 C ATOM 1472 CG TRP A 97 -0.424 -10.614 8.727 1.00 0.00 C ATOM 1473 CD1 TRP A 97 0.337 -11.427 9.517 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -1.769 -10.734 9.203 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -0.453 -12.046 10.455 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -1.749 -11.637 10.284 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -2.988 -10.166 8.823 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -2.901 -11.983 10.985 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.130 -10.511 9.520 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.081 -11.412 10.591 1.00 0.00 C ATOM 0 H TRP A 97 1.917 -9.227 9.136 1.00 0.00 H new ATOM 0 HA TRP A 97 0.788 -7.797 7.137 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.721 -9.737 6.818 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.930 -10.228 7.140 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.404 -11.563 9.419 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.127 -12.703 11.164 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.037 -9.470 7.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.865 -12.678 11.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.077 -10.078 9.234 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -4.991 -11.661 11.116 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.218 -7.843 9.743 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.397 -7.216 10.329 1.00 0.00 C ATOM 1493 C LYS A 98 -2.340 -5.700 10.174 1.00 0.00 C ATOM 1494 O LYS A 98 -3.343 -5.062 9.851 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.513 -7.584 11.810 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.942 -9.022 12.047 1.00 0.00 C ATOM 1497 CD LYS A 98 -3.110 -9.316 13.528 1.00 0.00 C ATOM 1498 CE LYS A 98 -3.308 -10.802 13.782 1.00 0.00 C ATOM 1499 NZ LYS A 98 -3.737 -11.074 15.182 1.00 0.00 N ATOM 0 H LYS A 98 -0.710 -8.459 10.377 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.275 -7.585 9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.551 -7.416 12.294 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.231 -6.916 12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.882 -9.213 11.528 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.200 -9.699 11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.232 -8.967 14.071 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.965 -8.762 13.915 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.055 -11.192 13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.378 -11.332 13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.861 -12.098 15.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.012 -10.725 15.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.638 -10.589 15.369 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.163 -5.130 10.404 1.00 0.00 N ATOM 1514 CA CYS A 99 -0.976 -3.688 10.290 1.00 0.00 C ATOM 1515 C CYS A 99 -1.054 -3.243 8.833 1.00 0.00 C ATOM 1516 O CYS A 99 -1.965 -2.513 8.443 1.00 0.00 O ATOM 1517 CB CYS A 99 0.370 -3.277 10.889 1.00 0.00 C ATOM 1518 SG CYS A 99 0.386 -3.222 12.696 1.00 0.00 S ATOM 0 H CYS A 99 -0.323 -5.644 10.671 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.777 -3.199 10.845 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.135 -3.976 10.550 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.643 -2.295 10.504 1.00 0.00 H new ATOM 0 HG CYS A 99 1.566 -2.867 13.109 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.091 -3.688 8.032 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.049 -3.336 6.617 1.00 0.00 C ATOM 1526 C VAL A 100 -1.440 -3.392 5.996 1.00 0.00 C ATOM 1527 O VAL A 100 -1.964 -2.381 5.528 1.00 0.00 O ATOM 1528 CB VAL A 100 0.889 -4.272 5.833 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.902 -3.903 4.358 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.294 -4.226 6.414 1.00 0.00 C ATOM 0 H VAL A 100 0.671 -4.293 8.339 1.00 0.00 H new ATOM 0 HA VAL A 100 0.333 -2.317 6.556 1.00 0.00 H new ATOM 0 HB VAL A 100 0.515 -5.292 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.570 -4.576 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.106 -3.992 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.250 -2.877 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.944 -4.893 5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.679 -3.208 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.267 -4.544 7.456 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.034 -4.580 5.996 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.365 -4.769 5.430 1.00 0.00 C ATOM 1542 C TYR A 101 -4.234 -3.536 5.657 1.00 0.00 C ATOM 1543 O TYR A 101 -4.978 -3.114 4.772 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.034 -5.999 6.047 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.544 -5.955 5.998 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.273 -5.311 6.990 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.243 -6.556 4.958 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -7.653 -5.269 6.949 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.623 -6.518 4.908 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.324 -5.874 5.907 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.698 -5.833 5.862 1.00 0.00 O ATOM 0 H TYR A 101 -1.615 -5.427 6.381 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.257 -4.922 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.688 -6.891 5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.715 -6.093 7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -5.752 -4.835 7.807 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.698 -7.062 4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.204 -4.765 7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.150 -6.990 4.092 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.013 -6.305 5.063 1.00 0.00 H new ATOM 1561 N THR A 102 -4.133 -2.961 6.852 1.00 0.00 N ATOM 1562 CA THR A 102 -4.908 -1.777 7.198 1.00 0.00 C ATOM 1563 C THR A 102 -4.513 -0.588 6.330 1.00 0.00 C ATOM 1564 O THR A 102 -5.354 0.007 5.655 1.00 0.00 O ATOM 1565 CB THR A 102 -4.726 -1.399 8.680 1.00 0.00 C ATOM 1566 OG1 THR A 102 -5.046 -2.518 9.514 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.608 -0.216 9.049 1.00 0.00 C ATOM 0 H THR A 102 -3.522 -3.297 7.596 1.00 0.00 H new ATOM 0 HA THR A 102 -5.955 -2.022 7.019 1.00 0.00 H new ATOM 0 HB THR A 102 -3.684 -1.117 8.835 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.318 -3.173 9.476 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.462 0.033 10.100 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.342 0.643 8.433 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.653 -0.474 8.879 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.230 -0.246 6.350 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.724 0.873 5.566 1.00 0.00 C ATOM 1577 C TYR A 103 -3.215 0.794 4.124 1.00 0.00 C ATOM 1578 O TYR A 103 -3.238 1.796 3.408 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.195 0.894 5.595 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.589 2.027 4.798 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.378 3.274 5.374 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.226 1.851 3.468 1.00 0.00 C ATOM 1583 CE1 TYR A 103 0.174 4.312 4.649 1.00 0.00 C ATOM 1584 CE2 TYR A 103 0.328 2.883 2.736 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.526 4.111 3.330 1.00 0.00 C ATOM 1586 OH TYR A 103 1.077 5.142 2.605 1.00 0.00 O ATOM 0 H TYR A 103 -2.521 -0.729 6.902 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.102 1.794 6.010 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.861 0.970 6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.820 -0.053 5.207 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.650 3.434 6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.380 0.891 2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 103 0.329 5.275 5.112 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.605 2.729 1.704 1.00 0.00 H new ATOM 0 HH TYR A 103 1.269 4.835 1.694 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.608 -0.404 3.704 1.00 0.00 N ATOM 1597 CA ILE A 104 -4.100 -0.615 2.349 1.00 0.00 C ATOM 1598 C ILE A 104 -5.562 -0.200 2.225 1.00 0.00 C ATOM 1599 O ILE A 104 -5.950 0.460 1.261 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.957 -2.087 1.921 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.533 -2.581 2.181 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.320 -2.249 0.452 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.532 -2.111 1.149 1.00 0.00 C ATOM 0 H ILE A 104 -3.595 -1.243 4.283 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.492 0.006 1.692 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.644 -2.691 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.214 -2.241 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.534 -3.671 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.214 -3.295 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.351 -1.932 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.655 -1.636 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.544 -2.499 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.827 -2.473 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.502 -1.021 1.141 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.368 -0.591 3.207 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.788 -0.259 3.207 1.00 0.00 C ATOM 1617 C GLN A 105 -8.003 1.211 3.551 1.00 0.00 C ATOM 1618 O GLN A 105 -8.847 1.880 2.957 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.540 -1.144 4.204 1.00 0.00 C ATOM 1620 CG GLN A 105 -8.328 -0.741 5.654 1.00 0.00 C ATOM 1621 CD GLN A 105 -9.258 -1.471 6.604 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.252 -0.912 7.070 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -8.941 -2.726 6.896 1.00 0.00 N ATOM 0 H GLN A 105 -6.062 -1.138 4.012 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.178 -0.440 2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.606 -1.108 3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.221 -2.178 4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.295 -0.943 5.936 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.482 0.333 5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.108 -3.150 6.487 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.530 -3.267 7.529 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.233 1.707 4.515 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.341 3.098 4.939 1.00 0.00 C ATOM 1634 C GLU A 106 -6.921 4.042 3.816 1.00 0.00 C ATOM 1635 O GLU A 106 -7.525 5.097 3.618 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.479 3.346 6.178 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.518 4.783 6.669 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.659 5.039 7.634 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.745 4.455 7.437 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -7.466 5.824 8.586 1.00 0.00 O ATOM 0 H GLU A 106 -6.528 1.166 5.017 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.384 3.296 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.813 2.688 6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.447 3.076 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.573 5.022 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.613 5.453 5.814 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.882 3.656 3.084 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.379 4.468 1.982 1.00 0.00 C ATOM 1649 C PHE A 107 -6.283 4.344 0.758 1.00 0.00 C ATOM 1650 O PHE A 107 -6.701 5.346 0.177 1.00 0.00 O ATOM 1651 CB PHE A 107 -3.953 4.049 1.621 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.228 5.056 0.774 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.220 6.397 1.123 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.556 4.662 -0.372 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.554 7.326 0.346 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -1.888 5.586 -1.153 1.00 0.00 C ATOM 1657 CZ PHE A 107 -1.888 6.920 -0.794 1.00 0.00 C ATOM 0 H PHE A 107 -5.371 2.786 3.234 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.374 5.509 2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.388 3.884 2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.986 3.097 1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.740 6.720 2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.554 3.621 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.554 8.368 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.367 5.266 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.368 7.644 -1.404 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.579 3.108 0.372 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.430 2.851 -0.783 1.00 0.00 C ATOM 1669 C TYR A 108 -8.774 3.558 -0.638 1.00 0.00 C ATOM 1670 O TYR A 108 -9.394 3.946 -1.629 1.00 0.00 O ATOM 1671 CB TYR A 108 -7.648 1.347 -0.958 1.00 0.00 C ATOM 1672 CG TYR A 108 -8.722 1.005 -1.966 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -8.516 1.205 -3.325 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -9.943 0.481 -1.558 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -9.495 0.894 -4.249 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -10.927 0.166 -2.476 1.00 0.00 C ATOM 1677 CZ TYR A 108 -10.698 0.375 -3.820 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.676 0.063 -4.737 1.00 0.00 O ATOM 0 H TYR A 108 -6.242 2.268 0.842 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.927 3.244 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.710 0.886 -1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.914 0.912 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.575 1.610 -3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.126 0.317 -0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -9.319 1.057 -5.302 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -11.870 -0.242 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.461 -0.293 -4.270 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.217 3.723 0.604 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.487 4.383 0.880 1.00 0.00 C ATOM 1690 C ARG A 109 -10.417 5.867 0.531 1.00 0.00 C ATOM 1691 O ARG A 109 -11.386 6.446 0.040 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.865 4.212 2.353 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.255 4.729 2.689 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.646 4.385 4.118 1.00 0.00 C ATOM 1695 NE ARG A 109 -13.053 2.989 4.253 1.00 0.00 N ATOM 1696 CZ ARG A 109 -14.231 2.525 3.851 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -15.113 3.341 3.291 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -14.529 1.241 4.009 1.00 0.00 N ATOM 0 H ARG A 109 -8.715 3.409 1.435 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.252 3.917 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.807 3.155 2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.133 4.734 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.285 5.810 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.981 4.300 1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.804 4.583 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -13.463 5.033 4.436 1.00 0.00 H new ATOM 0 HE ARG A 109 -12.397 2.335 4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.888 4.328 3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -16.017 2.982 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -13.853 0.610 4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.434 0.886 3.700 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.264 6.475 0.789 1.00 0.00 N ATOM 1713 CA CYS A 110 -9.067 7.892 0.503 1.00 0.00 C ATOM 1714 C CYS A 110 -9.153 8.162 -0.996 1.00 0.00 C ATOM 1715 O CYS A 110 -9.874 9.058 -1.436 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.714 8.359 1.041 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.591 8.344 2.845 1.00 0.00 S ATOM 0 H CYS A 110 -8.452 6.010 1.195 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.860 8.451 1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.932 7.721 0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.522 9.371 0.683 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.559 7.115 3.268 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.413 7.381 -1.775 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.403 7.536 -3.226 1.00 0.00 C ATOM 1725 C LEU A 111 -9.820 7.714 -3.763 1.00 0.00 C ATOM 1726 O LEU A 111 -10.101 8.658 -4.501 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.744 6.323 -3.884 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.386 5.908 -3.318 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.855 4.683 -4.047 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.395 7.058 -3.412 1.00 0.00 C ATOM 0 H LEU A 111 -7.812 6.634 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.827 8.429 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.424 5.475 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.624 6.532 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.516 5.652 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.888 4.403 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.555 3.856 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.741 4.911 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.434 6.744 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.270 7.346 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.770 7.909 -2.843 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.709 6.801 -3.387 1.00 0.00 N ATOM 1743 CA VAL A 112 -12.098 6.858 -3.828 1.00 0.00 C ATOM 1744 C VAL A 112 -12.651 8.274 -3.719 1.00 0.00 C ATOM 1745 O VAL A 112 -13.279 8.779 -4.649 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.987 5.906 -3.007 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.428 5.972 -3.489 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.456 4.483 -3.083 1.00 0.00 C ATOM 0 H VAL A 112 -10.492 6.012 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.112 6.545 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.963 6.223 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -15.041 5.293 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.803 6.989 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.474 5.681 -4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -13.097 3.824 -2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.448 4.152 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.442 4.451 -2.685 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.413 8.910 -2.576 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.888 10.269 -2.345 1.00 0.00 C ATOM 1760 C GLN A 113 -12.120 11.268 -3.205 1.00 0.00 C ATOM 1761 O GLN A 113 -12.712 12.130 -3.853 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.748 10.637 -0.867 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.750 9.931 0.033 1.00 0.00 C ATOM 1764 CD GLN A 113 -14.062 8.523 -0.434 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -14.688 8.327 -1.477 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -13.628 7.533 0.336 1.00 0.00 N ATOM 0 H GLN A 113 -11.894 8.506 -1.796 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.941 10.311 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.739 10.394 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.869 11.715 -0.756 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.357 9.894 1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -14.672 10.511 0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -13.113 7.741 1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -13.809 6.565 0.072 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.797 11.146 -3.205 1.00 0.00 N ATOM 1776 CA LYS A 114 -9.946 12.036 -3.985 1.00 0.00 C ATOM 1777 C LYS A 114 -10.389 12.073 -5.444 1.00 0.00 C ATOM 1778 O LYS A 114 -10.356 13.121 -6.087 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.485 11.588 -3.895 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.783 12.052 -2.631 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.392 13.518 -2.717 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.027 13.694 -3.365 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.114 13.692 -4.851 1.00 0.00 N ATOM 0 H LYS A 114 -10.291 10.438 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.038 13.040 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.444 10.500 -3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.943 11.968 -4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.437 11.899 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.892 11.446 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.141 14.062 -3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.380 13.952 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.583 14.631 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.364 12.892 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.376 14.311 -5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.978 12.724 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.049 14.040 -5.144 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.804 10.920 -5.961 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.249 10.843 -7.340 1.00 0.00 C ATOM 1799 C GLY A 115 -10.302 10.042 -8.211 1.00 0.00 C ATOM 1800 O GLY A 115 -10.287 10.198 -9.433 1.00 0.00 O ATOM 0 H GLY A 115 -10.840 10.038 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.240 10.390 -7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.345 11.851 -7.744 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.507 9.182 -7.583 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.550 8.354 -8.308 1.00 0.00 C ATOM 1806 C LEU A 116 -9.175 7.019 -8.703 1.00 0.00 C ATOM 1807 O LEU A 116 -8.969 6.530 -9.813 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.303 8.114 -7.455 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.348 9.300 -7.316 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.361 9.060 -6.184 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.612 9.548 -8.625 1.00 0.00 C ATOM 0 H LEU A 116 -9.507 9.040 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.264 8.884 -9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.622 7.811 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.751 7.276 -7.881 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.933 10.188 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.689 9.914 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.905 8.932 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.781 8.161 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.937 10.396 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.038 8.661 -8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.334 9.765 -9.413 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.940 6.436 -7.786 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.598 5.159 -8.039 1.00 0.00 C ATOM 1825 C VAL A 117 -12.114 5.315 -8.048 1.00 0.00 C ATOM 1826 O VAL A 117 -12.668 6.158 -7.343 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.207 4.108 -6.983 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.955 2.806 -7.224 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.703 3.878 -6.992 1.00 0.00 C ATOM 0 H VAL A 117 -10.120 6.827 -6.861 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.265 4.819 -9.020 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.488 4.484 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.666 2.075 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.028 2.986 -7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.707 2.422 -8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.444 3.133 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.395 3.523 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.191 4.813 -6.767 1.00 0.00 H new