USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=24 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 39 MET CE :methyl -179:sc= 0 (180deg=-0.000394) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -0.624 USER MOD Set 2.1: A 30 ASN : amide:sc= -2.32 K(o=-2.1,f=-4.6!) USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0.256 USER MOD Set 3.1: A 23 TYR OH : rot -21:sc= -2.59 USER MOD Set 3.2: A 47 ASN : amide:sc= -1.52 X(o=-4.1,f=-4.1) USER MOD Single : A 9 LYS NZ :NH3+ 138:sc= 0.375 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.42) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -14:sc= 0.144 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.614 USER MOD Single : A 25 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.6) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 101:sc= 1.12 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 150:sc= -2.95 USER MOD Single : A 46 HIS : no HD1:sc= -3.1! K(o=-3.1!,f=-1.8) USER MOD Single : A 57 GLN : amide:sc= -0.287 K(o=-0.29,f=-3.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.972 K(o=-0.97,f=-1.8) USER MOD Single : A 62 ASN : amide:sc= -0.78 X(o=-0.78,f=-0.41) USER MOD Single : A 65 GLN : amide:sc= -0.0925 K(o=-0.092,f=-0.92) USER MOD Single : A 66 ASN : amide:sc= -2.95! C(o=-3!,f=-3.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -166:sc= 1.26 USER MOD Single : A 76 THR OG1 : rot 122:sc= 0.468 USER MOD Single : A 77 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-6.2!) USER MOD Single : A 80 CYS SG : rot -139:sc= -1.13 USER MOD Single : A 82 GLN : amide:sc= -0.0363 K(o=-0.036,f=-1.5!) USER MOD Single : A 86 THR OG1 : rot 90:sc= 0.0762 USER MOD Single : A 89 MET CE :methyl -168:sc= -5.4! (180deg=-5.85!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -20:sc= 0.93 USER MOD Single : A 101 TYR OH : rot 165:sc= 0 USER MOD Single : A 102 THR OG1 : rot 106:sc= 1.29 USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0242 USER MOD Single : A 105 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.4!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -11.782 -10.010 1.937 1.00 0.00 N ATOM 67 CA ILE A 8 -11.324 -8.739 1.390 1.00 0.00 C ATOM 68 C ILE A 8 -9.836 -8.786 1.062 1.00 0.00 C ATOM 69 O ILE A 8 -9.397 -8.262 0.037 1.00 0.00 O ATOM 70 CB ILE A 8 -11.585 -7.579 2.369 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.062 -7.541 2.766 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.165 -6.256 1.746 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.984 -7.154 1.631 1.00 0.00 C ATOM 0 HA ILE A 8 -11.890 -8.567 0.475 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.990 -7.741 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.354 -8.522 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.191 -6.834 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.356 -5.446 2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.102 -6.287 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.736 -6.086 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.015 -7.148 1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.719 -6.161 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.884 -7.874 0.819 1.00 0.00 H new ATOM 85 N LYS A 9 -9.062 -9.420 1.937 1.00 0.00 N ATOM 86 CA LYS A 9 -7.622 -9.540 1.740 1.00 0.00 C ATOM 87 C LYS A 9 -7.300 -9.916 0.297 1.00 0.00 C ATOM 88 O LYS A 9 -6.213 -9.626 -0.200 1.00 0.00 O ATOM 89 CB LYS A 9 -7.042 -10.587 2.693 1.00 0.00 C ATOM 90 CG LYS A 9 -5.543 -10.458 2.899 1.00 0.00 C ATOM 91 CD LYS A 9 -5.076 -11.250 4.108 1.00 0.00 C ATOM 92 CE LYS A 9 -5.486 -10.576 5.409 1.00 0.00 C ATOM 93 NZ LYS A 9 -4.741 -11.124 6.576 1.00 0.00 N ATOM 0 H LYS A 9 -9.408 -9.859 2.790 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.169 -8.572 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.541 -10.504 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.263 -11.581 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.021 -10.809 2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.282 -9.408 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.496 -12.255 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.992 -11.356 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.307 -9.503 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.556 -10.710 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.457 -10.345 7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.351 -11.785 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.893 -11.626 6.242 1.00 0.00 H new ATOM 107 N GLN A 10 -8.253 -10.561 -0.369 1.00 0.00 N ATOM 108 CA GLN A 10 -8.069 -10.975 -1.754 1.00 0.00 C ATOM 109 C GLN A 10 -8.179 -9.781 -2.698 1.00 0.00 C ATOM 110 O GLN A 10 -7.188 -9.351 -3.287 1.00 0.00 O ATOM 111 CB GLN A 10 -9.104 -12.036 -2.133 1.00 0.00 C ATOM 112 CG GLN A 10 -8.723 -12.845 -3.363 1.00 0.00 C ATOM 113 CD GLN A 10 -7.377 -13.528 -3.218 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.059 -14.081 -2.165 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.579 -13.493 -4.279 1.00 0.00 N ATOM 0 H GLN A 10 -9.159 -10.808 0.028 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.070 -11.401 -1.850 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.242 -12.714 -1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.063 -11.549 -2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.489 -13.597 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.701 -12.188 -4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.884 -13.023 -5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.661 -13.936 -4.242 1.00 0.00 H new ATOM 124 N MET A 11 -9.390 -9.252 -2.836 1.00 0.00 N ATOM 125 CA MET A 11 -9.628 -8.107 -3.708 1.00 0.00 C ATOM 126 C MET A 11 -8.536 -7.056 -3.537 1.00 0.00 C ATOM 127 O MET A 11 -8.283 -6.256 -4.438 1.00 0.00 O ATOM 128 CB MET A 11 -10.996 -7.490 -3.413 1.00 0.00 C ATOM 129 CG MET A 11 -11.044 -6.714 -2.108 1.00 0.00 C ATOM 130 SD MET A 11 -12.294 -5.414 -2.118 1.00 0.00 S ATOM 131 CE MET A 11 -11.296 -3.989 -2.545 1.00 0.00 C ATOM 0 H MET A 11 -10.221 -9.597 -2.356 1.00 0.00 H new ATOM 0 HA MET A 11 -9.610 -8.459 -4.740 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.270 -6.825 -4.232 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.744 -8.282 -3.383 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.248 -7.402 -1.288 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.066 -6.271 -1.917 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.928 -3.102 -2.590 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.524 -3.846 -1.789 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.827 -4.151 -3.516 1.00 0.00 H new ATOM 141 N LEU A 12 -7.892 -7.063 -2.375 1.00 0.00 N ATOM 142 CA LEU A 12 -6.826 -6.110 -2.085 1.00 0.00 C ATOM 143 C LEU A 12 -5.544 -6.487 -2.819 1.00 0.00 C ATOM 144 O LEU A 12 -4.940 -5.658 -3.501 1.00 0.00 O ATOM 145 CB LEU A 12 -6.566 -6.049 -0.579 1.00 0.00 C ATOM 146 CG LEU A 12 -7.614 -5.309 0.254 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.190 -5.249 1.714 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.840 -3.908 -0.296 1.00 0.00 C ATOM 0 H LEU A 12 -8.089 -7.718 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.146 -5.128 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.486 -7.069 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.599 -5.573 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.554 -5.858 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.948 -4.719 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.080 -6.261 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.238 -4.724 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.589 -3.396 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.904 -3.350 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.189 -3.974 -1.326 1.00 0.00 H new ATOM 160 N LEU A 13 -5.134 -7.743 -2.677 1.00 0.00 N ATOM 161 CA LEU A 13 -3.924 -8.231 -3.328 1.00 0.00 C ATOM 162 C LEU A 13 -4.059 -8.168 -4.846 1.00 0.00 C ATOM 163 O LEU A 13 -3.117 -7.802 -5.549 1.00 0.00 O ATOM 164 CB LEU A 13 -3.629 -9.667 -2.890 1.00 0.00 C ATOM 165 CG LEU A 13 -2.174 -10.121 -3.016 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.320 -9.485 -1.930 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.082 -11.639 -2.948 1.00 0.00 C ATOM 0 H LEU A 13 -5.622 -8.442 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.096 -7.589 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.935 -9.779 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.251 -10.341 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.795 -9.796 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.288 -9.820 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.361 -8.400 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.698 -9.779 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.040 -11.945 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.480 -11.985 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.661 -12.075 -3.762 1.00 0.00 H new ATOM 179 N ASP A 14 -5.238 -8.526 -5.345 1.00 0.00 N ATOM 180 CA ASP A 14 -5.498 -8.508 -6.780 1.00 0.00 C ATOM 181 C ASP A 14 -5.500 -7.079 -7.313 1.00 0.00 C ATOM 182 O ASP A 14 -5.157 -6.837 -8.470 1.00 0.00 O ATOM 183 CB ASP A 14 -6.837 -9.181 -7.085 1.00 0.00 C ATOM 184 CG ASP A 14 -6.702 -10.679 -7.274 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.944 -11.309 -6.506 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.354 -11.223 -8.190 1.00 0.00 O ATOM 0 H ASP A 14 -6.028 -8.832 -4.777 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.701 -9.061 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.534 -8.982 -6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.265 -8.741 -7.986 1.00 0.00 H new ATOM 191 N TRP A 15 -5.889 -6.136 -6.462 1.00 0.00 N ATOM 192 CA TRP A 15 -5.937 -4.730 -6.849 1.00 0.00 C ATOM 193 C TRP A 15 -4.544 -4.112 -6.826 1.00 0.00 C ATOM 194 O TRP A 15 -4.061 -3.610 -7.842 1.00 0.00 O ATOM 195 CB TRP A 15 -6.868 -3.955 -5.915 1.00 0.00 C ATOM 196 CG TRP A 15 -6.910 -2.485 -6.205 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.649 -1.860 -7.168 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.180 -1.457 -5.527 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.423 -0.505 -7.130 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.526 -0.232 -6.131 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.270 -1.451 -4.466 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.992 0.983 -5.710 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.740 -0.244 -4.050 1.00 0.00 C ATOM 204 CH2 TRP A 15 -5.103 0.959 -4.670 1.00 0.00 C ATOM 0 H TRP A 15 -6.176 -6.319 -5.500 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.323 -4.671 -7.867 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.875 -4.363 -5.997 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.546 -4.106 -4.885 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.314 -2.358 -7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.853 0.185 -7.746 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.986 -2.373 -3.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.270 1.911 -6.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.034 -0.228 -3.233 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.673 1.886 -4.320 1.00 0.00 H new ATOM 215 N CYS A 16 -3.903 -4.151 -5.664 1.00 0.00 N ATOM 216 CA CYS A 16 -2.564 -3.593 -5.510 1.00 0.00 C ATOM 217 C CYS A 16 -1.671 -3.992 -6.680 1.00 0.00 C ATOM 218 O CYS A 16 -0.891 -3.182 -7.183 1.00 0.00 O ATOM 219 CB CYS A 16 -1.941 -4.064 -4.194 1.00 0.00 C ATOM 220 SG CYS A 16 -2.658 -3.297 -2.722 1.00 0.00 S ATOM 0 H CYS A 16 -4.288 -4.563 -4.814 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.649 -2.506 -5.495 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.053 -5.146 -4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.871 -3.855 -4.215 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.369 -2.267 -3.072 1.00 0.00 H new ATOM 226 N ARG A 17 -1.789 -5.244 -7.109 1.00 0.00 N ATOM 227 CA ARG A 17 -0.991 -5.751 -8.218 1.00 0.00 C ATOM 228 C ARG A 17 -1.297 -4.985 -9.502 1.00 0.00 C ATOM 229 O ARG A 17 -0.400 -4.425 -10.131 1.00 0.00 O ATOM 230 CB ARG A 17 -1.256 -7.243 -8.426 1.00 0.00 C ATOM 231 CG ARG A 17 -0.483 -8.138 -7.471 1.00 0.00 C ATOM 232 CD ARG A 17 -0.980 -9.574 -7.528 1.00 0.00 C ATOM 233 NE ARG A 17 -0.272 -10.358 -8.536 1.00 0.00 N ATOM 234 CZ ARG A 17 -0.581 -10.346 -9.828 1.00 0.00 C ATOM 235 NH1 ARG A 17 -1.581 -9.594 -10.266 1.00 0.00 N ATOM 236 NH2 ARG A 17 0.110 -11.087 -10.684 1.00 0.00 N ATOM 0 H ARG A 17 -2.430 -5.926 -6.705 1.00 0.00 H new ATOM 0 HA ARG A 17 0.061 -5.608 -7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.322 -7.434 -8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.997 -7.510 -9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.578 -8.109 -7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.581 -7.758 -6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.853 -10.041 -6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.048 -9.580 -7.748 1.00 0.00 H new ATOM 0 HE ARG A 17 0.503 -10.947 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.115 -9.023 -9.611 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.817 -9.586 -11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.880 -11.667 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.128 -11.077 -11.676 1.00 0.00 H new ATOM 250 N ALA A 18 -2.569 -4.966 -9.885 1.00 0.00 N ATOM 251 CA ALA A 18 -2.994 -4.269 -11.093 1.00 0.00 C ATOM 252 C ALA A 18 -2.394 -2.869 -11.157 1.00 0.00 C ATOM 253 O ALA A 18 -1.840 -2.466 -12.180 1.00 0.00 O ATOM 254 CB ALA A 18 -4.512 -4.198 -11.155 1.00 0.00 C ATOM 0 H ALA A 18 -3.324 -5.426 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.633 -4.831 -11.954 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.815 -3.675 -12.062 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.923 -5.207 -11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.887 -3.661 -10.284 1.00 0.00 H new ATOM 260 N LYS A 19 -2.508 -2.130 -10.059 1.00 0.00 N ATOM 261 CA LYS A 19 -1.976 -0.774 -9.989 1.00 0.00 C ATOM 262 C LYS A 19 -0.452 -0.783 -10.051 1.00 0.00 C ATOM 263 O LYS A 19 0.163 0.127 -10.606 1.00 0.00 O ATOM 264 CB LYS A 19 -2.442 -0.087 -8.703 1.00 0.00 C ATOM 265 CG LYS A 19 -3.952 0.018 -8.582 1.00 0.00 C ATOM 266 CD LYS A 19 -4.505 1.133 -9.455 1.00 0.00 C ATOM 267 CE LYS A 19 -5.926 0.834 -9.907 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.616 2.053 -10.412 1.00 0.00 N ATOM 0 H LYS A 19 -2.965 -2.448 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.353 -0.218 -10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.055 -0.638 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.012 0.914 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.408 -0.930 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.223 0.200 -7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.488 2.072 -8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.865 1.265 -10.327 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.906 0.077 -10.691 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.491 0.415 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.582 1.807 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.658 2.766 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.091 2.438 -11.223 1.00 0.00 H new ATOM 282 N THR A 20 0.152 -1.819 -9.477 1.00 0.00 N ATOM 283 CA THR A 20 1.604 -1.947 -9.467 1.00 0.00 C ATOM 284 C THR A 20 2.091 -2.781 -10.646 1.00 0.00 C ATOM 285 O THR A 20 3.154 -3.399 -10.584 1.00 0.00 O ATOM 286 CB THR A 20 2.102 -2.588 -8.158 1.00 0.00 C ATOM 287 OG1 THR A 20 1.635 -1.835 -7.034 1.00 0.00 O ATOM 288 CG2 THR A 20 3.622 -2.656 -8.133 1.00 0.00 C ATOM 0 H THR A 20 -0.342 -2.581 -9.013 1.00 0.00 H new ATOM 0 HA THR A 20 2.011 -0.939 -9.547 1.00 0.00 H new ATOM 0 HB THR A 20 1.707 -3.603 -8.104 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.713 -2.095 -6.826 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.950 -3.112 -7.199 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.973 -3.255 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.033 -1.649 -8.209 1.00 0.00 H new ATOM 296 N ARG A 21 1.307 -2.794 -11.719 1.00 0.00 N ATOM 297 CA ARG A 21 1.659 -3.554 -12.913 1.00 0.00 C ATOM 298 C ARG A 21 2.757 -2.847 -13.703 1.00 0.00 C ATOM 299 O ARG A 21 2.772 -1.621 -13.805 1.00 0.00 O ATOM 300 CB ARG A 21 0.427 -3.753 -13.798 1.00 0.00 C ATOM 301 CG ARG A 21 -0.402 -4.970 -13.422 1.00 0.00 C ATOM 302 CD ARG A 21 0.312 -6.263 -13.783 1.00 0.00 C ATOM 303 NE ARG A 21 0.003 -6.698 -15.143 1.00 0.00 N ATOM 304 CZ ARG A 21 0.669 -7.657 -15.776 1.00 0.00 C ATOM 305 NH1 ARG A 21 1.676 -8.278 -15.177 1.00 0.00 N ATOM 306 NH2 ARG A 21 0.329 -7.997 -17.013 1.00 0.00 N ATOM 0 H ARG A 21 0.424 -2.287 -11.786 1.00 0.00 H new ATOM 0 HA ARG A 21 2.032 -4.528 -12.597 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.200 -2.864 -13.738 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.747 -3.848 -14.836 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.609 -4.954 -12.352 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.364 -4.929 -13.934 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.388 -6.123 -13.683 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.026 -7.044 -13.079 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.766 -6.240 -15.633 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.942 -8.020 -14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.185 -9.014 -15.667 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.444 -7.522 -17.478 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.841 -8.734 -17.498 1.00 0.00 H new ATOM 320 N GLY A 22 3.676 -3.631 -14.259 1.00 0.00 N ATOM 321 CA GLY A 22 4.766 -3.063 -15.032 1.00 0.00 C ATOM 322 C GLY A 22 5.983 -2.758 -14.181 1.00 0.00 C ATOM 323 O GLY A 22 7.113 -3.046 -14.575 1.00 0.00 O ATOM 0 H GLY A 22 3.685 -4.648 -14.188 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.045 -3.757 -15.825 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.426 -2.147 -15.516 1.00 0.00 H new ATOM 327 N TYR A 23 5.753 -2.172 -13.011 1.00 0.00 N ATOM 328 CA TYR A 23 6.840 -1.824 -12.104 1.00 0.00 C ATOM 329 C TYR A 23 7.878 -2.941 -12.043 1.00 0.00 C ATOM 330 O TYR A 23 7.572 -4.066 -11.651 1.00 0.00 O ATOM 331 CB TYR A 23 6.293 -1.544 -10.703 1.00 0.00 C ATOM 332 CG TYR A 23 5.476 -0.275 -10.614 1.00 0.00 C ATOM 333 CD1 TYR A 23 4.156 -0.243 -11.046 1.00 0.00 C ATOM 334 CD2 TYR A 23 6.025 0.893 -10.098 1.00 0.00 C ATOM 335 CE1 TYR A 23 3.406 0.914 -10.967 1.00 0.00 C ATOM 336 CE2 TYR A 23 5.282 2.054 -10.014 1.00 0.00 C ATOM 337 CZ TYR A 23 3.974 2.060 -10.450 1.00 0.00 C ATOM 338 OH TYR A 23 3.231 3.216 -10.369 1.00 0.00 O ATOM 0 H TYR A 23 4.824 -1.928 -12.669 1.00 0.00 H new ATOM 0 HA TYR A 23 7.323 -0.924 -12.485 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.676 -2.386 -10.388 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.126 -1.480 -10.003 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.708 -1.139 -11.451 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.050 0.893 -9.757 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.381 0.922 -11.308 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.723 2.953 -9.609 1.00 0.00 H new ATOM 0 HH TYR A 23 2.480 3.167 -10.997 1.00 0.00 H new ATOM 348 N GLU A 24 9.107 -2.619 -12.435 1.00 0.00 N ATOM 349 CA GLU A 24 10.190 -3.594 -12.425 1.00 0.00 C ATOM 350 C GLU A 24 10.783 -3.736 -11.026 1.00 0.00 C ATOM 351 O GLU A 24 10.804 -2.781 -10.249 1.00 0.00 O ATOM 352 CB GLU A 24 11.283 -3.185 -13.415 1.00 0.00 C ATOM 353 CG GLU A 24 12.343 -4.253 -13.627 1.00 0.00 C ATOM 354 CD GLU A 24 11.944 -5.270 -14.679 1.00 0.00 C ATOM 355 OE1 GLU A 24 10.841 -5.843 -14.560 1.00 0.00 O ATOM 356 OE2 GLU A 24 12.735 -5.494 -15.619 1.00 0.00 O ATOM 0 H GLU A 24 9.377 -1.692 -12.763 1.00 0.00 H new ATOM 0 HA GLU A 24 9.779 -4.558 -12.726 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.822 -2.947 -14.374 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.763 -2.274 -13.057 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.278 -3.778 -13.923 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.530 -4.766 -12.684 1.00 0.00 H new ATOM 363 N HIS A 25 11.264 -4.935 -10.712 1.00 0.00 N ATOM 364 CA HIS A 25 11.857 -5.202 -9.407 1.00 0.00 C ATOM 365 C HIS A 25 10.804 -5.129 -8.306 1.00 0.00 C ATOM 366 O HIS A 25 11.107 -4.785 -7.164 1.00 0.00 O ATOM 367 CB HIS A 25 12.981 -4.206 -9.120 1.00 0.00 C ATOM 368 CG HIS A 25 13.865 -3.944 -10.301 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.421 -4.950 -11.063 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.287 -2.781 -10.850 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.148 -4.418 -12.028 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.083 -3.103 -11.922 1.00 0.00 N ATOM 0 H HIS A 25 11.255 -5.736 -11.343 1.00 0.00 H new ATOM 0 HA HIS A 25 12.271 -6.210 -9.424 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.545 -3.264 -8.787 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.589 -4.584 -8.298 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.043 -1.786 -10.509 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.702 -4.965 -12.777 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.548 -2.435 -12.537 1.00 0.00 H new ATOM 381 N VAL A 26 9.564 -5.455 -8.657 1.00 0.00 N ATOM 382 CA VAL A 26 8.465 -5.427 -7.699 1.00 0.00 C ATOM 383 C VAL A 26 7.567 -6.649 -7.857 1.00 0.00 C ATOM 384 O VAL A 26 7.306 -7.100 -8.972 1.00 0.00 O ATOM 385 CB VAL A 26 7.614 -4.153 -7.858 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.394 -4.210 -6.952 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.449 -2.916 -7.566 1.00 0.00 C ATOM 0 H VAL A 26 9.295 -5.742 -9.598 1.00 0.00 H new ATOM 0 HA VAL A 26 8.911 -5.434 -6.705 1.00 0.00 H new ATOM 0 HB VAL A 26 7.267 -4.094 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.805 -3.302 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.786 -5.076 -7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.715 -4.293 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.832 -2.025 -7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.826 -2.965 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.288 -2.871 -8.261 1.00 0.00 H new ATOM 397 N ASP A 27 7.096 -7.179 -6.734 1.00 0.00 N ATOM 398 CA ASP A 27 6.224 -8.348 -6.747 1.00 0.00 C ATOM 399 C ASP A 27 5.381 -8.411 -5.477 1.00 0.00 C ATOM 400 O ASP A 27 5.909 -8.585 -4.378 1.00 0.00 O ATOM 401 CB ASP A 27 7.052 -9.626 -6.889 1.00 0.00 C ATOM 402 CG ASP A 27 7.530 -9.852 -8.310 1.00 0.00 C ATOM 403 OD1 ASP A 27 6.720 -10.315 -9.140 1.00 0.00 O ATOM 404 OD2 ASP A 27 8.713 -9.567 -8.591 1.00 0.00 O ATOM 0 H ASP A 27 7.303 -6.818 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 27 5.554 -8.262 -7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.913 -9.573 -6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.454 -10.480 -6.570 1.00 0.00 H new ATOM 409 N ILE A 28 4.070 -8.269 -5.636 1.00 0.00 N ATOM 410 CA ILE A 28 3.154 -8.310 -4.503 1.00 0.00 C ATOM 411 C ILE A 28 2.504 -9.683 -4.371 1.00 0.00 C ATOM 412 O ILE A 28 1.558 -10.003 -5.091 1.00 0.00 O ATOM 413 CB ILE A 28 2.051 -7.242 -4.631 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.673 -5.851 -4.771 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.122 -7.294 -3.428 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.680 -4.784 -5.179 1.00 0.00 C ATOM 0 H ILE A 28 3.618 -8.124 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 28 3.746 -8.104 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 28 1.466 -7.450 -5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.129 -5.568 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.474 -5.892 -5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.348 -6.534 -3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.658 -8.278 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.693 -7.107 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.190 -3.824 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.242 -5.044 -6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.892 -4.715 -4.429 1.00 0.00 H new ATOM 428 N GLN A 29 3.016 -10.488 -3.446 1.00 0.00 N ATOM 429 CA GLN A 29 2.484 -11.826 -3.220 1.00 0.00 C ATOM 430 C GLN A 29 1.724 -11.893 -1.899 1.00 0.00 C ATOM 431 O GLN A 29 0.825 -12.716 -1.731 1.00 0.00 O ATOM 432 CB GLN A 29 3.616 -12.856 -3.223 1.00 0.00 C ATOM 433 CG GLN A 29 3.160 -14.263 -2.873 1.00 0.00 C ATOM 434 CD GLN A 29 4.318 -15.224 -2.692 1.00 0.00 C ATOM 435 OE1 GLN A 29 5.481 -14.818 -2.685 1.00 0.00 O ATOM 436 NE2 GLN A 29 4.006 -16.506 -2.543 1.00 0.00 N ATOM 0 H GLN A 29 3.798 -10.237 -2.841 1.00 0.00 H new ATOM 0 HA GLN A 29 1.791 -12.056 -4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.082 -12.869 -4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.382 -12.544 -2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.572 -14.232 -1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.504 -14.635 -3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.029 -16.798 -2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.744 -17.199 -2.416 1.00 0.00 H new ATOM 445 N ASN A 30 2.091 -11.022 -0.966 1.00 0.00 N ATOM 446 CA ASN A 30 1.444 -10.983 0.341 1.00 0.00 C ATOM 447 C ASN A 30 1.880 -9.750 1.127 1.00 0.00 C ATOM 448 O ASN A 30 2.758 -9.003 0.695 1.00 0.00 O ATOM 449 CB ASN A 30 1.772 -12.250 1.134 1.00 0.00 C ATOM 450 CG ASN A 30 3.242 -12.618 1.054 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.709 -13.135 0.039 1.00 0.00 O ATOM 452 ND2 ASN A 30 3.977 -12.352 2.127 1.00 0.00 N ATOM 0 H ASN A 30 2.833 -10.333 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 30 0.367 -10.930 0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.493 -12.105 2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.172 -13.078 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.972 -12.577 2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.547 -11.923 2.946 1.00 0.00 H new ATOM 459 N PHE A 31 1.261 -9.545 2.285 1.00 0.00 N ATOM 460 CA PHE A 31 1.584 -8.403 3.133 1.00 0.00 C ATOM 461 C PHE A 31 2.411 -8.838 4.339 1.00 0.00 C ATOM 462 O PHE A 31 2.202 -8.358 5.454 1.00 0.00 O ATOM 463 CB PHE A 31 0.303 -7.709 3.601 1.00 0.00 C ATOM 464 CG PHE A 31 -0.801 -7.740 2.583 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.682 -8.809 2.529 1.00 0.00 C ATOM 466 CD2 PHE A 31 -0.959 -6.701 1.681 1.00 0.00 C ATOM 467 CE1 PHE A 31 -2.698 -8.840 1.594 1.00 0.00 C ATOM 468 CE2 PHE A 31 -1.975 -6.726 0.743 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.846 -7.797 0.700 1.00 0.00 C ATOM 0 H PHE A 31 0.533 -10.155 2.658 1.00 0.00 H new ATOM 0 HA PHE A 31 2.174 -7.701 2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.045 -8.186 4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.530 -6.672 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.573 -9.627 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.281 -5.861 1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.377 -9.679 1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.087 -5.909 0.045 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.641 -7.819 -0.031 1.00 0.00 H new ATOM 479 N SER A 32 3.349 -9.751 4.109 1.00 0.00 N ATOM 480 CA SER A 32 4.204 -10.254 5.177 1.00 0.00 C ATOM 481 C SER A 32 5.599 -9.641 5.091 1.00 0.00 C ATOM 482 O SER A 32 6.034 -8.932 5.999 1.00 0.00 O ATOM 483 CB SER A 32 4.301 -11.780 5.105 1.00 0.00 C ATOM 484 OG SER A 32 3.026 -12.362 4.896 1.00 0.00 O ATOM 0 H SER A 32 3.536 -10.157 3.192 1.00 0.00 H new ATOM 0 HA SER A 32 3.758 -9.969 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.973 -12.067 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.733 -12.164 6.029 1.00 0.00 H new ATOM 0 HG SER A 32 3.115 -13.337 4.852 1.00 0.00 H new ATOM 490 N SER A 33 6.294 -9.919 3.993 1.00 0.00 N ATOM 491 CA SER A 33 7.641 -9.398 3.789 1.00 0.00 C ATOM 492 C SER A 33 7.755 -8.700 2.438 1.00 0.00 C ATOM 493 O SER A 33 8.542 -7.769 2.272 1.00 0.00 O ATOM 494 CB SER A 33 8.667 -10.530 3.879 1.00 0.00 C ATOM 495 OG SER A 33 9.987 -10.032 3.747 1.00 0.00 O ATOM 0 H SER A 33 5.947 -10.502 3.231 1.00 0.00 H new ATOM 0 HA SER A 33 7.844 -8.669 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.563 -11.045 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.472 -11.265 3.098 1.00 0.00 H new ATOM 0 HG SER A 33 10.624 -10.774 3.809 1.00 0.00 H new ATOM 501 N SER A 34 6.961 -9.157 1.474 1.00 0.00 N ATOM 502 CA SER A 34 6.974 -8.579 0.135 1.00 0.00 C ATOM 503 C SER A 34 7.118 -7.062 0.199 1.00 0.00 C ATOM 504 O SER A 34 7.613 -6.434 -0.737 1.00 0.00 O ATOM 505 CB SER A 34 5.694 -8.951 -0.616 1.00 0.00 C ATOM 506 OG SER A 34 5.572 -8.206 -1.815 1.00 0.00 O ATOM 0 H SER A 34 6.301 -9.925 1.595 1.00 0.00 H new ATOM 0 HA SER A 34 7.832 -8.985 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.700 -10.017 -0.845 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.828 -8.766 0.020 1.00 0.00 H new ATOM 0 HG SER A 34 5.842 -8.763 -2.575 1.00 0.00 H new ATOM 512 N TRP A 35 6.681 -6.480 1.310 1.00 0.00 N ATOM 513 CA TRP A 35 6.760 -5.035 1.497 1.00 0.00 C ATOM 514 C TRP A 35 7.973 -4.662 2.342 1.00 0.00 C ATOM 515 O TRP A 35 8.570 -3.602 2.152 1.00 0.00 O ATOM 516 CB TRP A 35 5.482 -4.515 2.159 1.00 0.00 C ATOM 517 CG TRP A 35 4.229 -5.011 1.503 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.811 -6.308 1.410 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.234 -4.218 0.846 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.615 -6.368 0.735 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.240 -5.100 0.380 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.085 -2.849 0.609 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.115 -4.655 -0.310 1.00 0.00 C ATOM 524 CZ3 TRP A 35 1.969 -2.409 -0.076 1.00 0.00 C ATOM 525 CH2 TRP A 35 0.995 -3.310 -0.528 1.00 0.00 C ATOM 0 H TRP A 35 6.269 -6.985 2.094 1.00 0.00 H new ATOM 0 HA TRP A 35 6.867 -4.571 0.516 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.477 -4.813 3.207 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.488 -3.425 2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.342 -7.160 1.808 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.092 -7.219 0.532 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.829 -2.147 0.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.364 -5.347 -0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.845 -1.353 -0.266 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.133 -2.935 -1.059 1.00 0.00 H new ATOM 536 N SER A 36 8.333 -5.538 3.273 1.00 0.00 N ATOM 537 CA SER A 36 9.473 -5.298 4.150 1.00 0.00 C ATOM 538 C SER A 36 10.590 -4.576 3.402 1.00 0.00 C ATOM 539 O SER A 36 11.347 -3.802 3.989 1.00 0.00 O ATOM 540 CB SER A 36 9.995 -6.620 4.717 1.00 0.00 C ATOM 541 OG SER A 36 11.211 -6.428 5.420 1.00 0.00 O ATOM 0 H SER A 36 7.852 -6.422 3.440 1.00 0.00 H new ATOM 0 HA SER A 36 9.141 -4.665 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.250 -7.053 5.384 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.148 -7.332 3.906 1.00 0.00 H new ATOM 0 HG SER A 36 11.523 -7.287 5.774 1.00 0.00 H new ATOM 547 N ASP A 37 10.687 -4.835 2.102 1.00 0.00 N ATOM 548 CA ASP A 37 11.710 -4.210 1.272 1.00 0.00 C ATOM 549 C ASP A 37 11.525 -2.696 1.229 1.00 0.00 C ATOM 550 O ASP A 37 12.399 -1.941 1.652 1.00 0.00 O ATOM 551 CB ASP A 37 11.666 -4.782 -0.146 1.00 0.00 C ATOM 552 CG ASP A 37 11.913 -6.277 -0.174 1.00 0.00 C ATOM 553 OD1 ASP A 37 11.041 -7.032 0.304 1.00 0.00 O ATOM 554 OD2 ASP A 37 12.979 -6.693 -0.676 1.00 0.00 O ATOM 0 H ASP A 37 10.069 -5.474 1.601 1.00 0.00 H new ATOM 0 HA ASP A 37 12.683 -4.427 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.694 -4.569 -0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.414 -4.281 -0.760 1.00 0.00 H new ATOM 559 N GLY A 38 10.379 -2.259 0.713 1.00 0.00 N ATOM 560 CA GLY A 38 10.101 -0.838 0.623 1.00 0.00 C ATOM 561 C GLY A 38 9.592 -0.432 -0.746 1.00 0.00 C ATOM 562 O GLY A 38 8.467 0.048 -0.880 1.00 0.00 O ATOM 0 H GLY A 38 9.639 -2.864 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.362 -0.567 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.008 -0.278 0.851 1.00 0.00 H new ATOM 566 N MET A 39 10.424 -0.625 -1.765 1.00 0.00 N ATOM 567 CA MET A 39 10.051 -0.275 -3.131 1.00 0.00 C ATOM 568 C MET A 39 8.563 -0.511 -3.366 1.00 0.00 C ATOM 569 O MET A 39 7.844 0.385 -3.807 1.00 0.00 O ATOM 570 CB MET A 39 10.873 -1.090 -4.131 1.00 0.00 C ATOM 571 CG MET A 39 12.333 -0.672 -4.202 1.00 0.00 C ATOM 572 SD MET A 39 12.556 0.943 -4.974 1.00 0.00 S ATOM 573 CE MET A 39 13.396 0.481 -6.487 1.00 0.00 C ATOM 0 H MET A 39 11.359 -1.021 -1.671 1.00 0.00 H new ATOM 0 HA MET A 39 10.260 0.785 -3.278 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.818 -2.144 -3.860 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.427 -0.992 -5.121 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.750 -0.650 -3.195 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.894 -1.419 -4.763 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.619 1.376 -7.067 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.325 -0.035 -6.244 1.00 0.00 H new ATOM 0 HE3 MET A 39 12.756 -0.180 -7.072 1.00 0.00 H new ATOM 583 N ALA A 40 8.106 -1.724 -3.070 1.00 0.00 N ATOM 584 CA ALA A 40 6.703 -2.077 -3.247 1.00 0.00 C ATOM 585 C ALA A 40 5.796 -0.887 -2.953 1.00 0.00 C ATOM 586 O ALA A 40 5.204 -0.305 -3.862 1.00 0.00 O ATOM 587 CB ALA A 40 6.338 -3.255 -2.356 1.00 0.00 C ATOM 0 H ALA A 40 8.688 -2.479 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 40 6.555 -2.364 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.287 -3.507 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.956 -4.114 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.509 -2.989 -1.313 1.00 0.00 H new ATOM 593 N PHE A 41 5.692 -0.530 -1.677 1.00 0.00 N ATOM 594 CA PHE A 41 4.855 0.590 -1.262 1.00 0.00 C ATOM 595 C PHE A 41 5.008 1.767 -2.221 1.00 0.00 C ATOM 596 O PHE A 41 4.022 2.291 -2.740 1.00 0.00 O ATOM 597 CB PHE A 41 5.216 1.025 0.160 1.00 0.00 C ATOM 598 CG PHE A 41 4.433 0.309 1.223 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.057 0.450 1.301 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.073 -0.504 2.144 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.333 -0.207 2.278 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.354 -1.165 3.123 1.00 0.00 C ATOM 603 CZ PHE A 41 2.983 -1.015 3.191 1.00 0.00 C ATOM 0 H PHE A 41 6.177 -1.000 -0.913 1.00 0.00 H new ATOM 0 HA PHE A 41 3.816 0.261 -1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.280 0.852 0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.048 2.098 0.257 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.544 1.081 0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.145 -0.623 2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.261 -0.089 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.864 -1.798 3.834 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.420 -1.528 3.956 1.00 0.00 H new ATOM 613 N CYS A 42 6.250 2.178 -2.449 1.00 0.00 N ATOM 614 CA CYS A 42 6.534 3.294 -3.344 1.00 0.00 C ATOM 615 C CYS A 42 5.835 3.106 -4.687 1.00 0.00 C ATOM 616 O CYS A 42 5.228 4.035 -5.218 1.00 0.00 O ATOM 617 CB CYS A 42 8.042 3.436 -3.556 1.00 0.00 C ATOM 618 SG CYS A 42 8.987 3.628 -2.026 1.00 0.00 S ATOM 0 H CYS A 42 7.077 1.755 -2.027 1.00 0.00 H new ATOM 0 HA CYS A 42 6.153 4.204 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.408 2.558 -4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.229 4.298 -4.196 1.00 0.00 H new ATOM 0 HG CYS A 42 10.174 3.122 -2.183 1.00 0.00 H new ATOM 624 N ALA A 43 5.927 1.897 -5.231 1.00 0.00 N ATOM 625 CA ALA A 43 5.304 1.586 -6.512 1.00 0.00 C ATOM 626 C ALA A 43 3.791 1.770 -6.445 1.00 0.00 C ATOM 627 O ALA A 43 3.198 2.435 -7.295 1.00 0.00 O ATOM 628 CB ALA A 43 5.647 0.166 -6.935 1.00 0.00 C ATOM 0 H ALA A 43 6.427 1.117 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 43 5.696 2.279 -7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.175 -0.052 -7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.728 0.066 -7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.284 -0.535 -6.184 1.00 0.00 H new ATOM 634 N LEU A 44 3.172 1.176 -5.431 1.00 0.00 N ATOM 635 CA LEU A 44 1.728 1.273 -5.254 1.00 0.00 C ATOM 636 C LEU A 44 1.277 2.730 -5.245 1.00 0.00 C ATOM 637 O LEU A 44 0.257 3.079 -5.839 1.00 0.00 O ATOM 638 CB LEU A 44 1.307 0.590 -3.951 1.00 0.00 C ATOM 639 CG LEU A 44 -0.193 0.578 -3.654 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.942 -0.207 -4.720 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.459 -0.006 -2.274 1.00 0.00 C ATOM 0 H LEU A 44 3.648 0.622 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 44 1.250 0.768 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.661 -0.441 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.817 1.084 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.555 1.606 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.008 -0.205 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.778 0.254 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.577 -1.234 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.532 -0.007 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.082 -1.028 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.046 0.598 -1.520 1.00 0.00 H new ATOM 653 N VAL A 45 2.046 3.578 -4.569 1.00 0.00 N ATOM 654 CA VAL A 45 1.728 4.999 -4.486 1.00 0.00 C ATOM 655 C VAL A 45 2.047 5.711 -5.796 1.00 0.00 C ATOM 656 O VAL A 45 1.154 6.234 -6.463 1.00 0.00 O ATOM 657 CB VAL A 45 2.501 5.681 -3.342 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.252 7.181 -3.349 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.114 5.074 -2.002 1.00 0.00 C ATOM 0 H VAL A 45 2.893 3.306 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 45 0.659 5.073 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 45 3.567 5.514 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.806 7.646 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.584 7.600 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.187 7.374 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.670 5.568 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.045 5.209 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.350 4.010 -2.003 1.00 0.00 H new ATOM 669 N HIS A 46 3.325 5.726 -6.158 1.00 0.00 N ATOM 670 CA HIS A 46 3.763 6.374 -7.390 1.00 0.00 C ATOM 671 C HIS A 46 2.709 6.229 -8.483 1.00 0.00 C ATOM 672 O HIS A 46 2.421 7.179 -9.211 1.00 0.00 O ATOM 673 CB HIS A 46 5.089 5.777 -7.862 1.00 0.00 C ATOM 674 CG HIS A 46 5.747 6.565 -8.952 1.00 0.00 C ATOM 675 ND1 HIS A 46 6.074 6.026 -10.178 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.137 7.861 -8.995 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.639 6.956 -10.928 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.689 8.078 -10.234 1.00 0.00 N ATOM 0 H HIS A 46 4.076 5.297 -5.617 1.00 0.00 H new ATOM 0 HA HIS A 46 3.904 7.435 -7.183 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.769 5.708 -7.013 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.915 4.760 -8.214 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.033 8.588 -8.203 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.999 6.821 -11.937 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.075 8.963 -10.564 1.00 0.00 H new ATOM 687 N ASN A 47 2.137 5.035 -8.593 1.00 0.00 N ATOM 688 CA ASN A 47 1.116 4.766 -9.599 1.00 0.00 C ATOM 689 C ASN A 47 0.026 5.833 -9.567 1.00 0.00 C ATOM 690 O ASN A 47 -0.350 6.383 -10.603 1.00 0.00 O ATOM 691 CB ASN A 47 0.498 3.384 -9.372 1.00 0.00 C ATOM 692 CG ASN A 47 -0.138 2.822 -10.629 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.544 2.559 -11.619 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.453 2.636 -10.593 1.00 0.00 N ATOM 0 H ASN A 47 2.363 4.238 -7.998 1.00 0.00 H new ATOM 0 HA ASN A 47 1.593 4.788 -10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.268 2.698 -9.020 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.254 3.450 -8.586 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.938 2.261 -11.408 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.978 2.868 -9.750 1.00 0.00 H new ATOM 701 N PHE A 48 -0.476 6.123 -8.372 1.00 0.00 N ATOM 702 CA PHE A 48 -1.522 7.125 -8.204 1.00 0.00 C ATOM 703 C PHE A 48 -0.974 8.529 -8.440 1.00 0.00 C ATOM 704 O PHE A 48 -1.453 9.257 -9.310 1.00 0.00 O ATOM 705 CB PHE A 48 -2.128 7.031 -6.803 1.00 0.00 C ATOM 706 CG PHE A 48 -2.197 5.627 -6.272 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.760 4.613 -7.030 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.698 5.322 -5.016 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.825 3.321 -6.544 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.759 4.031 -4.525 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.323 3.029 -5.290 1.00 0.00 C ATOM 0 H PHE A 48 -0.175 5.678 -7.505 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.299 6.929 -8.942 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.538 7.641 -6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.133 7.454 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.152 4.835 -8.011 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.256 6.102 -4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.268 2.540 -7.144 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.366 3.806 -3.544 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.372 2.020 -4.909 1.00 0.00 H new ATOM 721 N PHE A 49 0.034 8.903 -7.659 1.00 0.00 N ATOM 722 CA PHE A 49 0.648 10.220 -7.781 1.00 0.00 C ATOM 723 C PHE A 49 2.112 10.102 -8.196 1.00 0.00 C ATOM 724 O PHE A 49 3.018 10.071 -7.363 1.00 0.00 O ATOM 725 CB PHE A 49 0.541 10.980 -6.457 1.00 0.00 C ATOM 726 CG PHE A 49 -0.819 10.896 -5.826 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.797 11.831 -6.128 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.120 9.882 -4.930 1.00 0.00 C ATOM 729 CE1 PHE A 49 -3.049 11.756 -5.547 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.371 9.802 -4.347 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.337 10.740 -4.657 1.00 0.00 C ATOM 0 H PHE A 49 0.443 8.313 -6.935 1.00 0.00 H new ATOM 0 HA PHE A 49 0.113 10.772 -8.554 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.281 10.586 -5.760 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.790 12.027 -6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.578 12.627 -6.825 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.369 9.146 -4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.802 12.492 -5.789 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.593 9.007 -3.650 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.316 10.679 -4.204 1.00 0.00 H new ATOM 741 N PRO A 50 2.349 10.034 -9.514 1.00 0.00 N ATOM 742 CA PRO A 50 3.700 9.918 -10.070 1.00 0.00 C ATOM 743 C PRO A 50 4.512 11.196 -9.891 1.00 0.00 C ATOM 744 O PRO A 50 5.712 11.146 -9.622 1.00 0.00 O ATOM 745 CB PRO A 50 3.450 9.647 -11.556 1.00 0.00 C ATOM 746 CG PRO A 50 2.110 10.238 -11.828 1.00 0.00 C ATOM 747 CD PRO A 50 1.316 10.065 -10.563 1.00 0.00 C ATOM 0 HA PRO A 50 4.280 9.141 -9.573 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.219 10.106 -12.177 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.463 8.579 -11.771 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.195 11.292 -12.094 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.625 9.736 -12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.615 10.886 -10.413 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.731 9.145 -10.578 1.00 0.00 H new ATOM 755 N GLU A 51 3.850 12.338 -10.043 1.00 0.00 N ATOM 756 CA GLU A 51 4.513 13.629 -9.898 1.00 0.00 C ATOM 757 C GLU A 51 4.892 13.885 -8.442 1.00 0.00 C ATOM 758 O GLU A 51 5.953 14.438 -8.155 1.00 0.00 O ATOM 759 CB GLU A 51 3.606 14.753 -10.405 1.00 0.00 C ATOM 760 CG GLU A 51 3.197 14.595 -11.860 1.00 0.00 C ATOM 761 CD GLU A 51 4.170 15.259 -12.815 1.00 0.00 C ATOM 762 OE1 GLU A 51 4.540 16.426 -12.570 1.00 0.00 O ATOM 763 OE2 GLU A 51 4.562 14.610 -13.808 1.00 0.00 O ATOM 0 H GLU A 51 2.856 12.396 -10.266 1.00 0.00 H new ATOM 0 HA GLU A 51 5.425 13.610 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.709 14.792 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.120 15.706 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.125 13.534 -12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.205 15.022 -12.003 1.00 0.00 H new ATOM 770 N ALA A 52 4.017 13.480 -7.528 1.00 0.00 N ATOM 771 CA ALA A 52 4.260 13.664 -6.103 1.00 0.00 C ATOM 772 C ALA A 52 5.704 13.331 -5.745 1.00 0.00 C ATOM 773 O ALA A 52 6.315 13.992 -4.905 1.00 0.00 O ATOM 774 CB ALA A 52 3.302 12.807 -5.289 1.00 0.00 C ATOM 0 H ALA A 52 3.133 13.022 -7.749 1.00 0.00 H new ATOM 0 HA ALA A 52 4.086 14.713 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.495 12.955 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.275 13.095 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.449 11.757 -5.542 1.00 0.00 H new ATOM 780 N PHE A 53 6.246 12.301 -6.387 1.00 0.00 N ATOM 781 CA PHE A 53 7.619 11.879 -6.134 1.00 0.00 C ATOM 782 C PHE A 53 8.091 10.898 -7.203 1.00 0.00 C ATOM 783 O PHE A 53 7.292 10.383 -7.985 1.00 0.00 O ATOM 784 CB PHE A 53 7.731 11.236 -4.750 1.00 0.00 C ATOM 785 CG PHE A 53 7.177 9.841 -4.691 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.869 9.584 -5.067 1.00 0.00 C ATOM 787 CD2 PHE A 53 7.965 8.786 -4.259 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.356 8.302 -5.013 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.458 7.501 -4.203 1.00 0.00 C ATOM 790 CZ PHE A 53 6.153 7.259 -4.581 1.00 0.00 C ATOM 0 H PHE A 53 5.755 11.743 -7.086 1.00 0.00 H new ATOM 0 HA PHE A 53 8.257 12.762 -6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.779 11.215 -4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.206 11.858 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.242 10.395 -5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.987 8.970 -3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.334 8.116 -5.308 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.082 6.688 -3.864 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.755 6.256 -4.539 1.00 0.00 H new ATOM 800 N ASP A 54 9.395 10.645 -7.231 1.00 0.00 N ATOM 801 CA ASP A 54 9.976 9.726 -8.203 1.00 0.00 C ATOM 802 C ASP A 54 10.236 8.361 -7.572 1.00 0.00 C ATOM 803 O ASP A 54 10.908 8.259 -6.545 1.00 0.00 O ATOM 804 CB ASP A 54 11.278 10.299 -8.764 1.00 0.00 C ATOM 805 CG ASP A 54 11.036 11.417 -9.759 1.00 0.00 C ATOM 806 OD1 ASP A 54 9.946 11.445 -10.368 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.937 12.265 -9.927 1.00 0.00 O ATOM 0 H ASP A 54 10.070 11.064 -6.591 1.00 0.00 H new ATOM 0 HA ASP A 54 9.263 9.600 -9.018 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.891 10.673 -7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.844 9.502 -9.247 1.00 0.00 H new ATOM 812 N TYR A 55 9.700 7.316 -8.192 1.00 0.00 N ATOM 813 CA TYR A 55 9.872 5.958 -7.690 1.00 0.00 C ATOM 814 C TYR A 55 11.206 5.375 -8.142 1.00 0.00 C ATOM 815 O TYR A 55 12.039 4.990 -7.323 1.00 0.00 O ATOM 816 CB TYR A 55 8.724 5.067 -8.167 1.00 0.00 C ATOM 817 CG TYR A 55 9.039 3.589 -8.105 1.00 0.00 C ATOM 818 CD1 TYR A 55 8.890 2.877 -6.921 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.486 2.906 -9.229 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.178 1.527 -6.859 1.00 0.00 C ATOM 821 CE2 TYR A 55 9.774 1.556 -9.176 1.00 0.00 C ATOM 822 CZ TYR A 55 9.619 0.871 -7.989 1.00 0.00 C ATOM 823 OH TYR A 55 9.906 -0.474 -7.933 1.00 0.00 O ATOM 0 H TYR A 55 9.142 7.383 -9.043 1.00 0.00 H new ATOM 0 HA TYR A 55 9.865 5.996 -6.601 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.842 5.268 -7.559 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.471 5.333 -9.193 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.543 3.387 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.610 3.439 -10.160 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.058 0.988 -5.931 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.119 1.040 -10.060 1.00 0.00 H new ATOM 0 HH TYR A 55 10.203 -0.782 -8.815 1.00 0.00 H new ATOM 833 N GLY A 56 11.403 5.312 -9.456 1.00 0.00 N ATOM 834 CA GLY A 56 12.637 4.775 -9.997 1.00 0.00 C ATOM 835 C GLY A 56 13.864 5.477 -9.449 1.00 0.00 C ATOM 836 O GLY A 56 14.978 4.963 -9.552 1.00 0.00 O ATOM 0 H GLY A 56 10.729 5.624 -10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.698 3.711 -9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.624 4.867 -11.083 1.00 0.00 H new ATOM 840 N GLN A 57 13.660 6.654 -8.866 1.00 0.00 N ATOM 841 CA GLN A 57 14.760 7.428 -8.302 1.00 0.00 C ATOM 842 C GLN A 57 15.210 6.841 -6.969 1.00 0.00 C ATOM 843 O GLN A 57 16.385 6.924 -6.607 1.00 0.00 O ATOM 844 CB GLN A 57 14.341 8.887 -8.116 1.00 0.00 C ATOM 845 CG GLN A 57 14.455 9.719 -9.383 1.00 0.00 C ATOM 846 CD GLN A 57 15.886 10.108 -9.700 1.00 0.00 C ATOM 847 OE1 GLN A 57 16.829 9.416 -9.316 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.055 11.221 -10.404 1.00 0.00 N ATOM 0 H GLN A 57 12.744 7.092 -8.772 1.00 0.00 H new ATOM 0 HA GLN A 57 15.598 7.384 -8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.310 8.918 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.958 9.337 -7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.041 9.157 -10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.853 10.621 -9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.245 11.764 -10.702 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.995 11.533 -10.647 1.00 0.00 H new ATOM 857 N LEU A 58 14.270 6.248 -6.241 1.00 0.00 N ATOM 858 CA LEU A 58 14.570 5.647 -4.946 1.00 0.00 C ATOM 859 C LEU A 58 15.480 4.434 -5.107 1.00 0.00 C ATOM 860 O LEU A 58 15.860 4.073 -6.221 1.00 0.00 O ATOM 861 CB LEU A 58 13.276 5.239 -4.239 1.00 0.00 C ATOM 862 CG LEU A 58 12.267 6.360 -3.987 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.899 5.782 -3.658 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.748 7.268 -2.865 1.00 0.00 C ATOM 0 H LEU A 58 13.294 6.170 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 58 15.089 6.389 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.789 4.466 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.535 4.789 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 58 12.179 6.955 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.194 6.594 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.551 5.174 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.971 5.163 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.018 8.060 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.866 6.686 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.706 7.710 -3.140 1.00 0.00 H new ATOM 876 N SER A 59 15.825 3.807 -3.986 1.00 0.00 N ATOM 877 CA SER A 59 16.691 2.634 -4.002 1.00 0.00 C ATOM 878 C SER A 59 16.070 1.489 -3.209 1.00 0.00 C ATOM 879 O SER A 59 15.390 1.693 -2.203 1.00 0.00 O ATOM 880 CB SER A 59 18.066 2.982 -3.427 1.00 0.00 C ATOM 881 OG SER A 59 18.877 3.621 -4.397 1.00 0.00 O ATOM 0 H SER A 59 15.518 4.092 -3.056 1.00 0.00 H new ATOM 0 HA SER A 59 16.808 2.313 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.947 3.634 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.558 2.074 -3.078 1.00 0.00 H new ATOM 0 HG SER A 59 19.749 3.835 -4.005 1.00 0.00 H new ATOM 887 N PRO A 60 16.309 0.252 -3.671 1.00 0.00 N ATOM 888 CA PRO A 60 15.783 -0.951 -3.020 1.00 0.00 C ATOM 889 C PRO A 60 16.447 -1.220 -1.674 1.00 0.00 C ATOM 890 O PRO A 60 15.791 -1.640 -0.721 1.00 0.00 O ATOM 891 CB PRO A 60 16.117 -2.067 -4.014 1.00 0.00 C ATOM 892 CG PRO A 60 17.291 -1.556 -4.776 1.00 0.00 C ATOM 893 CD PRO A 60 17.111 -0.066 -4.864 1.00 0.00 C ATOM 0 HA PRO A 60 14.719 -0.862 -2.799 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.354 -2.998 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.275 -2.274 -4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.224 -1.807 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.336 -2.003 -5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.068 0.456 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.599 0.223 -5.781 1.00 0.00 H new ATOM 901 N GLN A 61 17.752 -0.975 -1.604 1.00 0.00 N ATOM 902 CA GLN A 61 18.504 -1.191 -0.374 1.00 0.00 C ATOM 903 C GLN A 61 17.932 -0.358 0.768 1.00 0.00 C ATOM 904 O GLN A 61 18.010 -0.746 1.932 1.00 0.00 O ATOM 905 CB GLN A 61 19.979 -0.844 -0.586 1.00 0.00 C ATOM 906 CG GLN A 61 20.894 -1.392 0.498 1.00 0.00 C ATOM 907 CD GLN A 61 20.988 -0.474 1.701 1.00 0.00 C ATOM 908 OE1 GLN A 61 20.447 -0.772 2.766 1.00 0.00 O ATOM 909 NE2 GLN A 61 21.677 0.649 1.538 1.00 0.00 N ATOM 0 H GLN A 61 18.310 -0.627 -2.384 1.00 0.00 H new ATOM 0 HA GLN A 61 18.420 -2.245 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.300 -1.233 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.087 0.240 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 61 20.528 -2.368 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.891 -1.545 0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 61 22.109 0.856 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 61 21.774 1.305 2.313 1.00 0.00 H new ATOM 918 N ASN A 62 17.358 0.791 0.425 1.00 0.00 N ATOM 919 CA ASN A 62 16.773 1.680 1.422 1.00 0.00 C ATOM 920 C ASN A 62 15.497 1.080 2.005 1.00 0.00 C ATOM 921 O ASN A 62 14.452 1.067 1.355 1.00 0.00 O ATOM 922 CB ASN A 62 16.471 3.046 0.802 1.00 0.00 C ATOM 923 CG ASN A 62 17.638 4.007 0.922 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.247 4.132 1.985 1.00 0.00 O ATOM 925 ND2 ASN A 62 17.956 4.691 -0.171 1.00 0.00 N ATOM 0 H ASN A 62 17.286 1.128 -0.535 1.00 0.00 H new ATOM 0 HA ASN A 62 17.495 1.806 2.229 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.218 2.916 -0.250 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.597 3.478 1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.733 5.352 -0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.424 4.555 -1.030 1.00 0.00 H new ATOM 932 N ARG A 63 15.591 0.585 3.235 1.00 0.00 N ATOM 933 CA ARG A 63 14.445 -0.017 3.906 1.00 0.00 C ATOM 934 C ARG A 63 13.573 1.053 4.556 1.00 0.00 C ATOM 935 O ARG A 63 12.369 0.863 4.732 1.00 0.00 O ATOM 936 CB ARG A 63 14.915 -1.019 4.962 1.00 0.00 C ATOM 937 CG ARG A 63 15.864 -2.075 4.420 1.00 0.00 C ATOM 938 CD ARG A 63 15.261 -2.810 3.233 1.00 0.00 C ATOM 939 NE ARG A 63 15.762 -4.177 3.124 1.00 0.00 N ATOM 940 CZ ARG A 63 15.498 -5.130 4.011 1.00 0.00 C ATOM 941 NH1 ARG A 63 14.742 -4.866 5.068 1.00 0.00 N ATOM 942 NH2 ARG A 63 15.991 -6.351 3.843 1.00 0.00 N ATOM 0 H ARG A 63 16.449 0.589 3.787 1.00 0.00 H new ATOM 0 HA ARG A 63 13.850 -0.541 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.409 -0.478 5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.045 -1.512 5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.801 -1.605 4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.104 -2.789 5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.176 -2.828 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.489 -2.266 2.316 1.00 0.00 H new ATOM 0 HE ARG A 63 16.347 -4.413 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.361 -3.929 5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.541 -5.600 5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.574 -6.559 3.032 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.787 -7.082 4.525 1.00 0.00 H new ATOM 956 N ARG A 64 14.188 2.176 4.912 1.00 0.00 N ATOM 957 CA ARG A 64 13.468 3.274 5.545 1.00 0.00 C ATOM 958 C ARG A 64 12.960 4.264 4.500 1.00 0.00 C ATOM 959 O ARG A 64 11.771 4.290 4.184 1.00 0.00 O ATOM 960 CB ARG A 64 14.372 3.994 6.547 1.00 0.00 C ATOM 961 CG ARG A 64 15.854 3.854 6.241 1.00 0.00 C ATOM 962 CD ARG A 64 16.408 2.537 6.761 1.00 0.00 C ATOM 963 NE ARG A 64 17.554 2.078 5.980 1.00 0.00 N ATOM 964 CZ ARG A 64 18.426 1.177 6.415 1.00 0.00 C ATOM 965 NH1 ARG A 64 18.285 0.639 7.619 1.00 0.00 N ATOM 966 NH2 ARG A 64 19.443 0.810 5.645 1.00 0.00 N ATOM 0 H ARG A 64 15.183 2.349 4.773 1.00 0.00 H new ATOM 0 HA ARG A 64 12.611 2.857 6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.112 5.052 6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.177 3.603 7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 64 16.012 3.917 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.400 4.683 6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.704 2.655 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.625 1.779 6.735 1.00 0.00 H new ATOM 0 HE ARG A 64 17.692 2.472 5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.505 0.917 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.957 -0.053 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.555 1.221 4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.113 0.117 5.980 1.00 0.00 H new ATOM 980 N GLN A 65 13.869 5.075 3.970 1.00 0.00 N ATOM 981 CA GLN A 65 13.511 6.067 2.962 1.00 0.00 C ATOM 982 C GLN A 65 12.386 5.555 2.069 1.00 0.00 C ATOM 983 O GLN A 65 11.434 6.277 1.778 1.00 0.00 O ATOM 984 CB GLN A 65 14.731 6.423 2.111 1.00 0.00 C ATOM 985 CG GLN A 65 14.586 7.736 1.359 1.00 0.00 C ATOM 986 CD GLN A 65 15.918 8.419 1.115 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.799 8.412 1.975 1.00 0.00 O ATOM 988 NE2 GLN A 65 16.071 9.015 -0.062 1.00 0.00 N ATOM 0 H GLN A 65 14.858 5.065 4.221 1.00 0.00 H new ATOM 0 HA GLN A 65 13.162 6.962 3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.609 6.478 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.910 5.621 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.097 7.551 0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.937 8.405 1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.314 8.996 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.945 9.492 -0.282 1.00 0.00 H new ATOM 997 N ASN A 66 12.503 4.303 1.637 1.00 0.00 N ATOM 998 CA ASN A 66 11.496 3.695 0.776 1.00 0.00 C ATOM 999 C ASN A 66 10.104 3.831 1.386 1.00 0.00 C ATOM 1000 O ASN A 66 9.165 4.276 0.725 1.00 0.00 O ATOM 1001 CB ASN A 66 11.820 2.218 0.543 1.00 0.00 C ATOM 1002 CG ASN A 66 12.808 2.014 -0.590 1.00 0.00 C ATOM 1003 OD1 ASN A 66 13.160 2.958 -1.298 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.261 0.778 -0.765 1.00 0.00 N ATOM 0 H ASN A 66 13.285 3.691 1.869 1.00 0.00 H new ATOM 0 HA ASN A 66 11.507 4.219 -0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.228 1.790 1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.900 1.678 0.321 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.929 0.580 -1.510 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.941 0.026 -0.154 1.00 0.00 H new ATOM 1011 N PHE A 67 9.979 3.447 2.652 1.00 0.00 N ATOM 1012 CA PHE A 67 8.702 3.526 3.352 1.00 0.00 C ATOM 1013 C PHE A 67 8.321 4.978 3.626 1.00 0.00 C ATOM 1014 O PHE A 67 7.224 5.418 3.280 1.00 0.00 O ATOM 1015 CB PHE A 67 8.769 2.748 4.668 1.00 0.00 C ATOM 1016 CG PHE A 67 8.587 1.267 4.498 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.580 0.496 3.914 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.424 0.645 4.923 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.415 -0.867 3.757 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.254 -0.718 4.768 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.251 -1.475 4.185 1.00 0.00 C ATOM 0 H PHE A 67 10.746 3.078 3.214 1.00 0.00 H new ATOM 0 HA PHE A 67 7.938 3.082 2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.732 2.936 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.001 3.125 5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.493 0.966 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.641 1.232 5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.196 -1.457 3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.342 -1.190 5.103 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.121 -2.540 4.064 1.00 0.00 H new ATOM 1031 N GLU A 68 9.234 5.716 4.249 1.00 0.00 N ATOM 1032 CA GLU A 68 8.992 7.118 4.570 1.00 0.00 C ATOM 1033 C GLU A 68 8.519 7.884 3.338 1.00 0.00 C ATOM 1034 O GLU A 68 7.414 8.427 3.318 1.00 0.00 O ATOM 1035 CB GLU A 68 10.263 7.762 5.128 1.00 0.00 C ATOM 1036 CG GLU A 68 10.848 7.023 6.319 1.00 0.00 C ATOM 1037 CD GLU A 68 10.240 7.464 7.636 1.00 0.00 C ATOM 1038 OE1 GLU A 68 8.997 7.570 7.708 1.00 0.00 O ATOM 1039 OE2 GLU A 68 11.005 7.704 8.593 1.00 0.00 O ATOM 0 H GLU A 68 10.147 5.367 4.541 1.00 0.00 H new ATOM 0 HA GLU A 68 8.208 7.162 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.012 7.811 4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.041 8.788 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.690 5.952 6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.926 7.185 6.348 1.00 0.00 H new ATOM 1046 N VAL A 69 9.363 7.924 2.312 1.00 0.00 N ATOM 1047 CA VAL A 69 9.032 8.623 1.077 1.00 0.00 C ATOM 1048 C VAL A 69 7.616 8.289 0.619 1.00 0.00 C ATOM 1049 O VAL A 69 6.807 9.182 0.368 1.00 0.00 O ATOM 1050 CB VAL A 69 10.021 8.271 -0.050 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.576 8.892 -1.365 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.426 8.724 0.314 1.00 0.00 C ATOM 0 H VAL A 69 10.281 7.480 2.312 1.00 0.00 H new ATOM 0 HA VAL A 69 9.100 9.690 1.289 1.00 0.00 H new ATOM 0 HB VAL A 69 10.033 7.188 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.287 8.632 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.589 8.514 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.533 9.976 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.112 8.467 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.432 9.803 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.743 8.227 1.231 1.00 0.00 H new ATOM 1062 N ALA A 70 7.325 6.997 0.512 1.00 0.00 N ATOM 1063 CA ALA A 70 6.006 6.544 0.086 1.00 0.00 C ATOM 1064 C ALA A 70 4.913 7.116 0.983 1.00 0.00 C ATOM 1065 O ALA A 70 3.804 7.394 0.527 1.00 0.00 O ATOM 1066 CB ALA A 70 5.946 5.024 0.082 1.00 0.00 C ATOM 0 H ALA A 70 7.984 6.245 0.714 1.00 0.00 H new ATOM 0 HA ALA A 70 5.834 6.906 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.956 4.700 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.696 4.632 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.143 4.649 1.086 1.00 0.00 H new ATOM 1072 N PHE A 71 5.234 7.289 2.261 1.00 0.00 N ATOM 1073 CA PHE A 71 4.278 7.827 3.222 1.00 0.00 C ATOM 1074 C PHE A 71 4.070 9.323 3.004 1.00 0.00 C ATOM 1075 O PHE A 71 2.945 9.782 2.810 1.00 0.00 O ATOM 1076 CB PHE A 71 4.761 7.571 4.651 1.00 0.00 C ATOM 1077 CG PHE A 71 4.656 6.133 5.071 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.488 5.419 4.860 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.726 5.494 5.678 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.388 4.095 5.245 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.632 4.171 6.064 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.461 3.471 5.849 1.00 0.00 C ATOM 0 H PHE A 71 6.148 7.065 2.655 1.00 0.00 H new ATOM 0 HA PHE A 71 3.325 7.320 3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.799 7.892 4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.179 8.185 5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.645 5.903 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.644 6.037 5.851 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.472 3.550 5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.474 3.684 6.534 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.385 2.437 6.153 1.00 0.00 H new ATOM 1092 N SER A 72 5.164 10.077 3.038 1.00 0.00 N ATOM 1093 CA SER A 72 5.102 11.522 2.849 1.00 0.00 C ATOM 1094 C SER A 72 4.397 11.869 1.540 1.00 0.00 C ATOM 1095 O SER A 72 3.405 12.597 1.531 1.00 0.00 O ATOM 1096 CB SER A 72 6.510 12.119 2.856 1.00 0.00 C ATOM 1097 OG SER A 72 7.034 12.175 4.172 1.00 0.00 O ATOM 0 H SER A 72 6.103 9.712 3.195 1.00 0.00 H new ATOM 0 HA SER A 72 4.530 11.947 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.166 11.519 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.486 13.121 2.428 1.00 0.00 H new ATOM 0 HG SER A 72 7.935 12.559 4.149 1.00 0.00 H new ATOM 1103 N SER A 73 4.918 11.341 0.437 1.00 0.00 N ATOM 1104 CA SER A 73 4.343 11.597 -0.878 1.00 0.00 C ATOM 1105 C SER A 73 2.819 11.637 -0.805 1.00 0.00 C ATOM 1106 O SER A 73 2.189 12.581 -1.281 1.00 0.00 O ATOM 1107 CB SER A 73 4.789 10.523 -1.871 1.00 0.00 C ATOM 1108 OG SER A 73 6.159 10.671 -2.201 1.00 0.00 O ATOM 0 H SER A 73 5.737 10.733 0.428 1.00 0.00 H new ATOM 0 HA SER A 73 4.699 12.568 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.619 9.535 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.185 10.587 -2.776 1.00 0.00 H new ATOM 0 HG SER A 73 6.364 10.134 -2.994 1.00 0.00 H new ATOM 1114 N ALA A 74 2.234 10.605 -0.207 1.00 0.00 N ATOM 1115 CA ALA A 74 0.785 10.522 -0.070 1.00 0.00 C ATOM 1116 C ALA A 74 0.251 11.651 0.805 1.00 0.00 C ATOM 1117 O ALA A 74 -0.542 12.476 0.354 1.00 0.00 O ATOM 1118 CB ALA A 74 0.386 9.171 0.505 1.00 0.00 C ATOM 0 H ALA A 74 2.741 9.814 0.191 1.00 0.00 H new ATOM 0 HA ALA A 74 0.344 10.627 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.699 9.123 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.726 8.378 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.844 9.043 1.486 1.00 0.00 H new ATOM 1124 N GLU A 75 0.691 11.679 2.060 1.00 0.00 N ATOM 1125 CA GLU A 75 0.254 12.706 2.998 1.00 0.00 C ATOM 1126 C GLU A 75 0.210 14.075 2.324 1.00 0.00 C ATOM 1127 O GLU A 75 -0.534 14.963 2.743 1.00 0.00 O ATOM 1128 CB GLU A 75 1.188 12.752 4.209 1.00 0.00 C ATOM 1129 CG GLU A 75 1.027 14.004 5.055 1.00 0.00 C ATOM 1130 CD GLU A 75 1.867 15.161 4.550 1.00 0.00 C ATOM 1131 OE1 GLU A 75 3.080 14.962 4.332 1.00 0.00 O ATOM 1132 OE2 GLU A 75 1.312 16.266 4.374 1.00 0.00 O ATOM 0 H GLU A 75 1.348 11.003 2.449 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.752 12.452 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.005 11.877 4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.220 12.687 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.022 14.299 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.305 13.780 6.085 1.00 0.00 H new ATOM 1139 N THR A 76 1.013 14.239 1.278 1.00 0.00 N ATOM 1140 CA THR A 76 1.068 15.499 0.546 1.00 0.00 C ATOM 1141 C THR A 76 -0.332 15.995 0.200 1.00 0.00 C ATOM 1142 O THR A 76 -0.792 17.006 0.731 1.00 0.00 O ATOM 1143 CB THR A 76 1.887 15.360 -0.751 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.182 14.824 -0.458 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.034 16.706 -1.444 1.00 0.00 C ATOM 0 H THR A 76 1.635 13.515 0.918 1.00 0.00 H new ATOM 0 HA THR A 76 1.556 16.223 1.199 1.00 0.00 H new ATOM 0 HB THR A 76 1.357 14.681 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.312 13.991 -0.958 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.616 16.583 -2.357 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.047 17.097 -1.692 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.544 17.403 -0.780 1.00 0.00 H new ATOM 1153 N HIS A 77 -1.005 15.276 -0.693 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.354 15.643 -1.109 1.00 0.00 C ATOM 1155 C HIS A 77 -3.376 14.638 -0.588 1.00 0.00 C ATOM 1156 O HIS A 77 -4.555 14.957 -0.439 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.435 15.727 -2.634 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.489 14.801 -3.336 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.722 15.185 -4.415 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.189 13.502 -3.105 1.00 0.00 C ATOM 1161 CE1 HIS A 77 0.009 14.162 -4.819 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.255 13.128 -4.041 1.00 0.00 N ATOM 0 H HIS A 77 -0.639 14.437 -1.142 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.585 16.621 -0.686 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.454 15.500 -2.949 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.226 16.751 -2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.606 12.876 -2.330 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.704 14.170 -5.645 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.166 12.202 -4.122 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.915 13.421 -0.314 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.789 12.370 0.191 1.00 0.00 C ATOM 1173 C ALA A 78 -4.050 12.543 1.684 1.00 0.00 C ATOM 1174 O ALA A 78 -5.048 12.051 2.210 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.182 11.002 -0.085 1.00 0.00 C ATOM 0 H ALA A 78 -1.942 13.140 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.744 12.444 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.845 10.226 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.052 10.872 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.213 10.927 0.409 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.147 13.244 2.360 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.280 13.482 3.793 1.00 0.00 C ATOM 1183 C ASP A 79 -3.698 12.207 4.519 1.00 0.00 C ATOM 1184 O ASP A 79 -4.684 12.196 5.256 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.301 14.591 4.054 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.994 15.375 5.315 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.836 15.815 5.473 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.912 15.548 6.143 1.00 0.00 O ATOM 0 H ASP A 79 -2.315 13.658 1.939 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.309 13.795 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.320 15.271 3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.296 14.153 4.135 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.942 11.136 4.305 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.235 9.855 4.938 1.00 0.00 C ATOM 1195 C CYS A 80 -2.680 9.810 6.358 1.00 0.00 C ATOM 1196 O CYS A 80 -1.557 10.238 6.625 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.649 8.709 4.112 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.846 7.078 4.869 1.00 0.00 S ATOM 0 H CYS A 80 -2.122 11.129 3.698 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.318 9.741 4.987 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.124 8.702 3.131 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.588 8.897 3.951 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.756 6.389 4.705 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.485 9.282 7.292 1.00 0.00 N ATOM 1205 CA PRO A 81 -3.095 9.170 8.701 1.00 0.00 C ATOM 1206 C PRO A 81 -1.999 8.133 8.919 1.00 0.00 C ATOM 1207 O PRO A 81 -2.282 6.968 9.196 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.389 8.734 9.392 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.175 8.048 8.329 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.836 8.753 7.044 1.00 0.00 C ATOM 0 HA PRO A 81 -2.683 10.103 9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.185 8.064 10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.931 9.590 9.794 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.917 6.990 8.274 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.244 8.105 8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.850 8.070 6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.546 9.550 6.824 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.749 8.565 8.791 1.00 0.00 N ATOM 1219 CA GLN A 82 0.390 7.672 8.975 1.00 0.00 C ATOM 1220 C GLN A 82 0.164 6.738 10.159 1.00 0.00 C ATOM 1221 O GLN A 82 0.059 7.183 11.303 1.00 0.00 O ATOM 1222 CB GLN A 82 1.671 8.482 9.185 1.00 0.00 C ATOM 1223 CG GLN A 82 2.101 9.270 7.959 1.00 0.00 C ATOM 1224 CD GLN A 82 3.508 9.821 8.083 1.00 0.00 C ATOM 1225 OE1 GLN A 82 4.289 9.375 8.924 1.00 0.00 O ATOM 1226 NE2 GLN A 82 3.839 10.794 7.243 1.00 0.00 N ATOM 0 H GLN A 82 -0.499 9.527 8.561 1.00 0.00 H new ATOM 0 HA GLN A 82 0.495 7.067 8.074 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.523 9.172 10.016 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.476 7.805 9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.043 8.628 7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.405 10.094 7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.160 11.133 6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.773 11.203 7.279 1.00 0.00 H new ATOM 1235 N LEU A 83 0.090 5.442 9.878 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.124 4.444 10.920 1.00 0.00 C ATOM 1237 C LEU A 83 1.163 3.682 11.216 1.00 0.00 C ATOM 1238 O LEU A 83 1.569 3.552 12.372 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.224 3.468 10.500 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.529 4.096 10.010 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.478 3.025 9.497 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.183 4.903 11.122 1.00 0.00 C ATOM 0 H LEU A 83 0.175 5.057 8.937 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.434 4.962 11.828 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.832 2.829 9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.451 2.822 11.348 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.298 4.771 9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.401 3.491 9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.011 2.491 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.704 2.324 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.111 5.343 10.755 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.400 4.249 11.967 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.507 5.696 11.442 1.00 0.00 H new ATOM 1254 N LEU A 84 1.802 3.180 10.165 1.00 0.00 N ATOM 1255 CA LEU A 84 3.046 2.432 10.311 1.00 0.00 C ATOM 1256 C LEU A 84 4.178 3.343 10.775 1.00 0.00 C ATOM 1257 O LEU A 84 4.081 4.567 10.682 1.00 0.00 O ATOM 1258 CB LEU A 84 3.422 1.765 8.987 1.00 0.00 C ATOM 1259 CG LEU A 84 2.340 0.899 8.341 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.578 0.776 6.844 1.00 0.00 C ATOM 1261 CD2 LEU A 84 2.298 -0.476 8.991 1.00 0.00 C ATOM 0 H LEU A 84 1.479 3.277 9.202 1.00 0.00 H new ATOM 0 HA LEU A 84 2.891 1.662 11.067 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.707 2.543 8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.304 1.146 9.152 1.00 0.00 H new ATOM 0 HG LEU A 84 1.375 1.381 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.798 0.156 6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.556 1.766 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.551 0.317 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.522 -1.078 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.264 -0.966 8.868 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.078 -0.370 10.053 1.00 0.00 H new ATOM 1273 N ASP A 85 5.252 2.738 11.271 1.00 0.00 N ATOM 1274 CA ASP A 85 6.405 3.494 11.746 1.00 0.00 C ATOM 1275 C ASP A 85 7.695 2.960 11.132 1.00 0.00 C ATOM 1276 O ASP A 85 8.305 2.027 11.656 1.00 0.00 O ATOM 1277 CB ASP A 85 6.488 3.435 13.272 1.00 0.00 C ATOM 1278 CG ASP A 85 5.645 4.503 13.940 1.00 0.00 C ATOM 1279 OD1 ASP A 85 5.414 5.557 13.309 1.00 0.00 O ATOM 1280 OD2 ASP A 85 5.217 4.286 15.092 1.00 0.00 O ATOM 0 H ASP A 85 5.348 1.726 11.355 1.00 0.00 H new ATOM 0 HA ASP A 85 6.280 4.532 11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.161 2.453 13.613 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.527 3.550 13.581 1.00 0.00 H new ATOM 1285 N THR A 86 8.106 3.556 10.018 1.00 0.00 N ATOM 1286 CA THR A 86 9.322 3.139 9.331 1.00 0.00 C ATOM 1287 C THR A 86 10.397 2.714 10.326 1.00 0.00 C ATOM 1288 O THR A 86 11.004 1.654 10.181 1.00 0.00 O ATOM 1289 CB THR A 86 9.880 4.266 8.441 1.00 0.00 C ATOM 1290 OG1 THR A 86 8.877 4.700 7.515 1.00 0.00 O ATOM 1291 CG2 THR A 86 11.111 3.796 7.680 1.00 0.00 C ATOM 0 H THR A 86 7.614 4.330 9.572 1.00 0.00 H new ATOM 0 HA THR A 86 9.054 2.289 8.703 1.00 0.00 H new ATOM 0 HB THR A 86 10.166 5.099 9.083 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.354 5.426 7.915 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.487 4.609 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.883 3.494 8.388 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.846 2.949 7.048 1.00 0.00 H new ATOM 1299 N GLU A 87 10.626 3.549 11.335 1.00 0.00 N ATOM 1300 CA GLU A 87 11.628 3.258 12.354 1.00 0.00 C ATOM 1301 C GLU A 87 11.483 1.828 12.867 1.00 0.00 C ATOM 1302 O GLU A 87 12.469 1.106 13.011 1.00 0.00 O ATOM 1303 CB GLU A 87 11.506 4.244 13.517 1.00 0.00 C ATOM 1304 CG GLU A 87 11.585 5.700 13.092 1.00 0.00 C ATOM 1305 CD GLU A 87 11.687 6.648 14.271 1.00 0.00 C ATOM 1306 OE1 GLU A 87 10.694 6.776 15.016 1.00 0.00 O ATOM 1307 OE2 GLU A 87 12.761 7.261 14.449 1.00 0.00 O ATOM 0 H GLU A 87 10.132 4.431 11.469 1.00 0.00 H new ATOM 0 HA GLU A 87 12.613 3.364 11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.558 4.074 14.028 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.298 4.041 14.238 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.450 5.839 12.443 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.702 5.951 12.504 1.00 0.00 H new ATOM 1314 N ASP A 88 10.247 1.427 13.142 1.00 0.00 N ATOM 1315 CA ASP A 88 9.971 0.084 13.638 1.00 0.00 C ATOM 1316 C ASP A 88 9.899 -0.917 12.489 1.00 0.00 C ATOM 1317 O ASP A 88 10.259 -2.083 12.645 1.00 0.00 O ATOM 1318 CB ASP A 88 8.661 0.068 14.428 1.00 0.00 C ATOM 1319 CG ASP A 88 8.836 0.562 15.850 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.565 1.556 16.047 1.00 0.00 O ATOM 1321 OD2 ASP A 88 8.245 -0.047 16.767 1.00 0.00 O ATOM 0 H ASP A 88 9.420 2.013 13.030 1.00 0.00 H new ATOM 0 HA ASP A 88 10.788 -0.207 14.298 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.925 0.690 13.918 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.263 -0.947 14.445 1.00 0.00 H new ATOM 1326 N MET A 89 9.431 -0.452 11.335 1.00 0.00 N ATOM 1327 CA MET A 89 9.313 -1.307 10.160 1.00 0.00 C ATOM 1328 C MET A 89 10.688 -1.739 9.660 1.00 0.00 C ATOM 1329 O MET A 89 10.836 -2.805 9.063 1.00 0.00 O ATOM 1330 CB MET A 89 8.559 -0.577 9.046 1.00 0.00 C ATOM 1331 CG MET A 89 7.205 -0.040 9.480 1.00 0.00 C ATOM 1332 SD MET A 89 5.971 -1.341 9.672 1.00 0.00 S ATOM 1333 CE MET A 89 5.320 -1.438 8.006 1.00 0.00 C ATOM 0 H MET A 89 9.128 0.511 11.189 1.00 0.00 H new ATOM 0 HA MET A 89 8.754 -2.198 10.445 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.171 0.250 8.686 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.419 -1.258 8.207 1.00 0.00 H new ATOM 0 HG2 MET A 89 7.316 0.493 10.424 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.853 0.684 8.745 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.410 -2.039 8.005 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.093 -0.435 7.645 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.060 -1.900 7.352 1.00 0.00 H new ATOM 1343 N VAL A 90 11.692 -0.903 9.908 1.00 0.00 N ATOM 1344 CA VAL A 90 13.055 -1.199 9.485 1.00 0.00 C ATOM 1345 C VAL A 90 13.656 -2.328 10.315 1.00 0.00 C ATOM 1346 O VAL A 90 13.923 -3.415 9.802 1.00 0.00 O ATOM 1347 CB VAL A 90 13.960 0.042 9.596 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.426 -0.363 9.598 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.669 1.016 8.464 1.00 0.00 C ATOM 0 H VAL A 90 11.586 -0.016 10.400 1.00 0.00 H new ATOM 0 HA VAL A 90 13.001 -1.508 8.441 1.00 0.00 H new ATOM 0 HB VAL A 90 13.746 0.543 10.540 1.00 0.00 H new ATOM 0 HG11 VAL A 90 16.049 0.528 9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.621 -1.019 10.446 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.660 -0.888 8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.317 1.887 8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.854 0.528 7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.627 1.332 8.515 1.00 0.00 H new ATOM 1359 N ARG A 91 13.866 -2.063 11.600 1.00 0.00 N ATOM 1360 CA ARG A 91 14.436 -3.056 12.502 1.00 0.00 C ATOM 1361 C ARG A 91 13.599 -4.332 12.505 1.00 0.00 C ATOM 1362 O ARG A 91 14.127 -5.434 12.662 1.00 0.00 O ATOM 1363 CB ARG A 91 14.531 -2.493 13.921 1.00 0.00 C ATOM 1364 CG ARG A 91 13.225 -1.906 14.432 1.00 0.00 C ATOM 1365 CD ARG A 91 13.294 -1.607 15.921 1.00 0.00 C ATOM 1366 NE ARG A 91 14.278 -0.572 16.227 1.00 0.00 N ATOM 1367 CZ ARG A 91 14.033 0.729 16.125 1.00 0.00 C ATOM 1368 NH1 ARG A 91 12.841 1.153 15.727 1.00 0.00 N ATOM 1369 NH2 ARG A 91 14.980 1.610 16.421 1.00 0.00 N ATOM 0 H ARG A 91 13.650 -1.169 12.040 1.00 0.00 H new ATOM 0 HA ARG A 91 15.438 -3.299 12.147 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.852 -3.286 14.597 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.301 -1.722 13.946 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.998 -0.990 13.886 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.410 -2.604 14.237 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.312 -1.289 16.273 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.547 -2.519 16.462 1.00 0.00 H new ATOM 0 HE ARG A 91 15.205 -0.865 16.536 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.110 0.479 15.499 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.655 2.153 15.649 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.898 1.288 16.727 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.790 2.609 16.342 1.00 0.00 H new ATOM 1383 N LEU A 92 12.291 -4.176 12.331 1.00 0.00 N ATOM 1384 CA LEU A 92 11.380 -5.315 12.313 1.00 0.00 C ATOM 1385 C LEU A 92 11.663 -6.221 11.119 1.00 0.00 C ATOM 1386 O LEU A 92 11.569 -5.794 9.968 1.00 0.00 O ATOM 1387 CB LEU A 92 9.929 -4.832 12.269 1.00 0.00 C ATOM 1388 CG LEU A 92 9.322 -4.408 13.607 1.00 0.00 C ATOM 1389 CD1 LEU A 92 8.018 -3.656 13.386 1.00 0.00 C ATOM 1390 CD2 LEU A 92 9.096 -5.620 14.498 1.00 0.00 C ATOM 0 H LEU A 92 11.838 -3.272 12.200 1.00 0.00 H new ATOM 0 HA LEU A 92 11.538 -5.889 13.226 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.869 -3.988 11.582 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.314 -5.629 11.850 1.00 0.00 H new ATOM 0 HG LEU A 92 10.023 -3.740 14.107 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.600 -3.362 14.349 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.208 -2.766 12.786 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.310 -4.300 12.865 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.664 -5.299 15.446 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.414 -6.313 14.004 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.048 -6.118 14.683 1.00 0.00 H new ATOM 1402 N ARG A 93 12.009 -7.472 11.401 1.00 0.00 N ATOM 1403 CA ARG A 93 12.304 -8.439 10.350 1.00 0.00 C ATOM 1404 C ARG A 93 11.293 -8.332 9.213 1.00 0.00 C ATOM 1405 O ARG A 93 11.636 -8.511 8.045 1.00 0.00 O ATOM 1406 CB ARG A 93 12.301 -9.859 10.918 1.00 0.00 C ATOM 1407 CG ARG A 93 13.046 -10.863 10.053 1.00 0.00 C ATOM 1408 CD ARG A 93 13.449 -12.093 10.850 1.00 0.00 C ATOM 1409 NE ARG A 93 14.536 -12.829 10.209 1.00 0.00 N ATOM 1410 CZ ARG A 93 15.069 -13.938 10.710 1.00 0.00 C ATOM 1411 NH1 ARG A 93 14.618 -14.437 11.852 1.00 0.00 N ATOM 1412 NH2 ARG A 93 16.056 -14.550 10.067 1.00 0.00 N ATOM 0 H ARG A 93 12.092 -7.840 12.348 1.00 0.00 H new ATOM 0 HA ARG A 93 13.295 -8.216 9.954 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.749 -9.845 11.911 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.270 -10.191 11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.416 -11.161 9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.935 -10.393 9.632 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.757 -11.791 11.851 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.586 -12.749 10.966 1.00 0.00 H new ATOM 0 HE ARG A 93 14.906 -12.472 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.860 -13.969 12.349 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.029 -15.289 12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.406 -14.169 9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.465 -15.401 10.452 1.00 0.00 H new ATOM 1426 N GLU A 94 10.044 -8.039 9.564 1.00 0.00 N ATOM 1427 CA GLU A 94 8.983 -7.910 8.572 1.00 0.00 C ATOM 1428 C GLU A 94 7.694 -7.408 9.217 1.00 0.00 C ATOM 1429 O GLU A 94 7.360 -7.757 10.350 1.00 0.00 O ATOM 1430 CB GLU A 94 8.732 -9.253 7.883 1.00 0.00 C ATOM 1431 CG GLU A 94 8.127 -10.303 8.799 1.00 0.00 C ATOM 1432 CD GLU A 94 8.141 -11.690 8.186 1.00 0.00 C ATOM 1433 OE1 GLU A 94 7.295 -11.958 7.307 1.00 0.00 O ATOM 1434 OE2 GLU A 94 8.996 -12.508 8.586 1.00 0.00 O ATOM 0 H GLU A 94 9.743 -7.887 10.527 1.00 0.00 H new ATOM 0 HA GLU A 94 9.304 -7.182 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.067 -9.097 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.674 -9.629 7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.678 -10.320 9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.100 -10.025 9.036 1.00 0.00 H new ATOM 1441 N PRO A 95 6.952 -6.569 8.479 1.00 0.00 N ATOM 1442 CA PRO A 95 5.688 -6.001 8.957 1.00 0.00 C ATOM 1443 C PRO A 95 4.583 -7.047 9.057 1.00 0.00 C ATOM 1444 O PRO A 95 4.544 -7.999 8.277 1.00 0.00 O ATOM 1445 CB PRO A 95 5.342 -4.958 7.892 1.00 0.00 C ATOM 1446 CG PRO A 95 6.028 -5.435 6.658 1.00 0.00 C ATOM 1447 CD PRO A 95 7.289 -6.112 7.121 1.00 0.00 C ATOM 0 HA PRO A 95 5.781 -5.589 9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.265 -4.886 7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.691 -3.966 8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.395 -6.127 6.102 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.254 -4.603 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.559 -6.945 6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.135 -5.425 7.127 1.00 0.00 H new ATOM 1455 N ASP A 96 3.687 -6.865 10.021 1.00 0.00 N ATOM 1456 CA ASP A 96 2.580 -7.792 10.222 1.00 0.00 C ATOM 1457 C ASP A 96 1.325 -7.303 9.507 1.00 0.00 C ATOM 1458 O ASP A 96 0.865 -6.184 9.735 1.00 0.00 O ATOM 1459 CB ASP A 96 2.296 -7.966 11.715 1.00 0.00 C ATOM 1460 CG ASP A 96 3.166 -9.034 12.349 1.00 0.00 C ATOM 1461 OD1 ASP A 96 3.577 -9.969 11.630 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.436 -8.934 13.564 1.00 0.00 O ATOM 0 H ASP A 96 3.706 -6.083 10.676 1.00 0.00 H new ATOM 0 HA ASP A 96 2.865 -8.756 9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.460 -7.017 12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.247 -8.226 11.854 1.00 0.00 H new ATOM 1467 N TRP A 97 0.777 -8.147 8.640 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.425 -7.800 7.891 1.00 0.00 C ATOM 1469 C TRP A 97 -1.372 -6.959 8.739 1.00 0.00 C ATOM 1470 O TRP A 97 -2.059 -6.073 8.229 1.00 0.00 O ATOM 1471 CB TRP A 97 -1.137 -9.067 7.413 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.814 -9.820 8.518 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -1.346 -10.931 9.160 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -3.082 -9.517 9.110 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -2.246 -11.338 10.114 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -3.320 -10.487 10.105 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -4.039 -8.521 8.899 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -4.475 -10.487 10.882 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -5.185 -8.523 9.671 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -5.394 -9.500 10.654 1.00 0.00 C ATOM 0 H TRP A 97 1.146 -9.076 8.438 1.00 0.00 H new ATOM 0 HA TRP A 97 -0.125 -7.211 7.024 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.877 -8.797 6.660 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.413 -9.721 6.928 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -0.406 -11.418 8.948 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -2.133 -12.143 10.730 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.886 -7.763 8.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -4.640 -11.240 11.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.932 -7.759 9.514 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.299 -9.473 11.243 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.405 -7.240 10.037 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.267 -6.509 10.958 1.00 0.00 C ATOM 1493 C LYS A 98 -2.154 -5.005 10.730 1.00 0.00 C ATOM 1494 O LYS A 98 -3.162 -4.311 10.591 1.00 0.00 O ATOM 1495 CB LYS A 98 -1.903 -6.845 12.406 1.00 0.00 C ATOM 1496 CG LYS A 98 -1.976 -8.329 12.723 1.00 0.00 C ATOM 1497 CD LYS A 98 -3.376 -8.741 13.144 1.00 0.00 C ATOM 1498 CE LYS A 98 -3.595 -8.529 14.634 1.00 0.00 C ATOM 1499 NZ LYS A 98 -5.021 -8.237 14.948 1.00 0.00 N ATOM 0 H LYS A 98 -0.844 -7.970 10.476 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.297 -6.811 10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.894 -6.488 12.610 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.574 -6.306 13.075 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.674 -8.904 11.848 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.271 -8.567 13.519 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.111 -8.165 12.582 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.537 -9.790 12.897 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.278 -9.419 15.178 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.971 -7.705 14.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.129 -8.099 15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.317 -7.374 14.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.614 -9.034 14.642 1.00 0.00 H new ATOM 1513 N CYS A 99 -0.922 -4.508 10.693 1.00 0.00 N ATOM 1514 CA CYS A 99 -0.678 -3.085 10.481 1.00 0.00 C ATOM 1515 C CYS A 99 -0.680 -2.749 8.994 1.00 0.00 C ATOM 1516 O CYS A 99 -1.212 -1.718 8.580 1.00 0.00 O ATOM 1517 CB CYS A 99 0.657 -2.677 11.107 1.00 0.00 C ATOM 1518 SG CYS A 99 2.078 -3.607 10.486 1.00 0.00 S ATOM 0 H CYS A 99 -0.077 -5.069 10.807 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.482 -2.528 10.962 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.823 -1.615 10.924 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.595 -2.808 12.187 1.00 0.00 H new ATOM 0 HG CYS A 99 1.669 -4.721 9.956 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.082 -3.625 8.193 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.014 -3.421 6.751 1.00 0.00 C ATOM 1526 C VAL A 100 -1.409 -3.324 6.143 1.00 0.00 C ATOM 1527 O VAL A 100 -1.828 -2.259 5.690 1.00 0.00 O ATOM 1528 CB VAL A 100 0.758 -4.560 6.058 1.00 0.00 C ATOM 1529 CG1 VAL A 100 1.019 -4.218 4.599 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.062 -4.841 6.790 1.00 0.00 C ATOM 0 H VAL A 100 0.363 -4.483 8.519 1.00 0.00 H new ATOM 0 HA VAL A 100 0.516 -2.482 6.589 1.00 0.00 H new ATOM 0 HB VAL A 100 0.147 -5.462 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.565 -5.034 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.070 -4.071 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.610 -3.304 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.595 -5.648 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.680 -3.943 6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.847 -5.133 7.818 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.124 -4.444 6.138 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.472 -4.487 5.584 1.00 0.00 C ATOM 1542 C TYR A 101 -4.240 -3.213 5.921 1.00 0.00 C ATOM 1543 O TYR A 101 -4.891 -2.619 5.061 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.226 -5.706 6.116 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.710 -5.673 5.830 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.571 -4.907 6.605 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.252 -6.408 4.782 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -7.928 -4.874 6.347 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.607 -6.381 4.516 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.441 -5.613 5.302 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.792 -5.582 5.040 1.00 0.00 O ATOM 0 H TYR A 101 -1.793 -5.334 6.511 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.390 -4.564 4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.800 -6.607 5.675 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.074 -5.775 7.193 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.173 -4.327 7.424 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.602 -7.011 4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.583 -4.273 6.960 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.011 -6.958 3.697 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.961 -5.951 4.148 1.00 0.00 H new ATOM 1561 N THR A 102 -4.159 -2.797 7.181 1.00 0.00 N ATOM 1562 CA THR A 102 -4.846 -1.594 7.635 1.00 0.00 C ATOM 1563 C THR A 102 -4.503 -0.399 6.752 1.00 0.00 C ATOM 1564 O THR A 102 -5.392 0.274 6.229 1.00 0.00 O ATOM 1565 CB THR A 102 -4.488 -1.259 9.095 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.757 -2.385 9.937 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.278 -0.054 9.584 1.00 0.00 C ATOM 0 H THR A 102 -3.624 -3.276 7.906 1.00 0.00 H new ATOM 0 HA THR A 102 -5.915 -1.797 7.569 1.00 0.00 H new ATOM 0 HB THR A 102 -3.426 -1.019 9.138 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.913 -2.812 10.192 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.008 0.163 10.617 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.048 0.809 8.960 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.345 -0.270 9.526 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.211 -0.141 6.590 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.751 0.975 5.772 1.00 0.00 C ATOM 1577 C TYR A 103 -3.342 0.900 4.368 1.00 0.00 C ATOM 1578 O TYR A 103 -3.699 1.921 3.778 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.223 0.981 5.694 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.660 2.171 4.949 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.608 3.426 5.542 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.179 2.039 3.652 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.095 4.515 4.865 1.00 0.00 C ATOM 1584 CE2 TYR A 103 0.337 3.122 2.968 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.376 4.358 3.578 1.00 0.00 C ATOM 1586 OH TYR A 103 0.889 5.441 2.901 1.00 0.00 O ATOM 0 H TYR A 103 -2.463 -0.689 7.014 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.088 1.900 6.240 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.816 0.970 6.705 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.889 0.066 5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.975 3.552 6.550 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.209 1.073 3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.063 5.484 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.708 3.002 1.961 1.00 0.00 H new ATOM 0 HH TYR A 103 1.178 5.161 2.008 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.444 -0.315 3.839 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.993 -0.523 2.506 1.00 0.00 C ATOM 1598 C ILE A 104 -5.453 -0.088 2.438 1.00 0.00 C ATOM 1599 O ILE A 104 -5.847 0.659 1.543 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.889 -2.000 2.079 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.427 -2.449 2.069 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.520 -2.200 0.709 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.650 -1.951 0.870 1.00 0.00 C ATOM 0 H ILE A 104 -3.153 -1.170 4.314 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.403 0.088 1.823 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.432 -2.611 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.941 -2.097 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.390 -3.538 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.439 -3.248 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.571 -1.914 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.002 -1.581 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.622 -2.308 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.112 -2.325 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.656 -0.861 0.860 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.250 -0.559 3.392 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.667 -0.217 3.442 1.00 0.00 C ATOM 1617 C GLN A 105 -7.858 1.273 3.702 1.00 0.00 C ATOM 1618 O GLN A 105 -8.616 1.942 3.001 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.372 -1.032 4.528 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.853 -0.714 4.661 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.660 -1.184 3.467 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.252 -1.008 2.319 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.813 -1.788 3.733 1.00 0.00 N ATOM 0 H GLN A 105 -5.939 -1.178 4.140 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.108 -0.457 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.255 -2.093 4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.882 -0.849 5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.242 -1.183 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.980 0.362 4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.112 -1.913 4.700 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.399 -2.127 2.970 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.165 1.786 4.714 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.261 3.197 5.067 1.00 0.00 C ATOM 1634 C GLU A 106 -6.970 4.082 3.858 1.00 0.00 C ATOM 1635 O GLU A 106 -7.739 4.989 3.539 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.289 3.530 6.202 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.564 4.868 6.866 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.981 4.979 7.393 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.558 3.935 7.764 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.513 6.108 7.434 1.00 0.00 O ATOM 0 H GLU A 106 -6.532 1.246 5.303 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.280 3.392 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.339 2.743 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.272 3.531 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.863 5.012 7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.384 5.669 6.149 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.854 3.810 3.189 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.459 4.581 2.016 1.00 0.00 C ATOM 1649 C PHE A 107 -6.492 4.443 0.902 1.00 0.00 C ATOM 1650 O PHE A 107 -7.025 5.436 0.407 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.088 4.123 1.516 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.427 5.106 0.593 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.120 6.385 1.027 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -3.114 4.751 -0.710 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.511 7.292 0.180 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.505 5.654 -1.561 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.204 6.926 -1.116 1.00 0.00 C ATOM 0 H PHE A 107 -5.208 3.062 3.439 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.400 5.630 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.438 3.948 2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.199 3.170 0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.359 6.677 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.349 3.758 -1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.275 8.286 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.265 5.365 -2.573 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.729 7.633 -1.780 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.769 3.204 0.511 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.735 2.934 -0.548 1.00 0.00 C ATOM 1669 C TYR A 108 -8.987 3.789 -0.373 1.00 0.00 C ATOM 1670 O TYR A 108 -9.541 4.303 -1.344 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.113 1.452 -0.556 1.00 0.00 C ATOM 1672 CG TYR A 108 -9.245 1.121 -1.502 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -9.001 0.871 -2.847 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -10.558 1.060 -1.052 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -10.032 0.569 -3.716 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -11.595 0.757 -1.913 1.00 0.00 C ATOM 1677 CZ TYR A 108 -11.327 0.513 -3.244 1.00 0.00 C ATOM 1678 OH TYR A 108 -12.358 0.212 -4.105 1.00 0.00 O ATOM 0 H TYR A 108 -6.338 2.371 0.911 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.273 3.189 -1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.237 0.864 -0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.395 1.152 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.988 0.913 -3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.772 1.253 -0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -9.825 0.378 -4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.610 0.711 -1.546 1.00 0.00 H new ATOM 0 HH TYR A 108 -13.206 0.212 -3.613 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.426 3.935 0.873 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.613 4.726 1.176 1.00 0.00 C ATOM 1690 C ARG A 109 -10.441 6.167 0.704 1.00 0.00 C ATOM 1691 O ARG A 109 -11.361 6.760 0.139 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.898 4.701 2.679 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.358 4.937 3.026 1.00 0.00 C ATOM 1694 CD ARG A 109 -13.163 3.649 2.955 1.00 0.00 C ATOM 1695 NE ARG A 109 -13.641 3.376 1.602 1.00 0.00 N ATOM 1696 CZ ARG A 109 -14.116 2.198 1.214 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -14.175 1.188 2.072 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -14.532 2.027 -0.034 1.00 0.00 N ATOM 0 H ARG A 109 -8.978 3.516 1.688 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.457 4.286 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.589 3.737 3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.290 5.462 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.431 5.358 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.782 5.671 2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.547 2.817 3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.014 3.715 3.633 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.608 4.132 0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.855 1.315 3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.540 0.284 1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.487 2.801 -0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.897 1.122 -0.331 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.258 6.724 0.940 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.966 8.096 0.540 1.00 0.00 C ATOM 1714 C CYS A 110 -9.019 8.243 -0.977 1.00 0.00 C ATOM 1715 O CYS A 110 -9.676 9.143 -1.501 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.590 8.518 1.058 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.501 8.697 2.855 1.00 0.00 S ATOM 0 H CYS A 110 -8.486 6.247 1.406 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.725 8.745 0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.852 7.781 0.740 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.314 9.466 0.595 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.298 9.054 3.197 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.321 7.355 -1.677 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.287 7.387 -3.135 1.00 0.00 C ATOM 1725 C LEU A 111 -9.692 7.538 -3.709 1.00 0.00 C ATOM 1726 O LEU A 111 -9.942 8.404 -4.548 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.636 6.113 -3.677 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.292 5.730 -3.057 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.831 4.377 -3.576 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.248 6.799 -3.347 1.00 0.00 C ATOM 0 H LEU A 111 -7.771 6.604 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.695 8.249 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.329 5.285 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.498 6.229 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.419 5.657 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.873 4.121 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.569 3.617 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.721 4.421 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.297 6.510 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.124 6.903 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.574 7.750 -2.926 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.608 6.690 -3.251 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.989 6.731 -3.716 1.00 0.00 C ATOM 1744 C VAL A 112 -12.552 8.146 -3.643 1.00 0.00 C ATOM 1745 O VAL A 112 -13.179 8.623 -4.588 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.887 5.790 -2.891 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.336 5.908 -3.338 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.401 4.353 -3.007 1.00 0.00 C ATOM 0 H VAL A 112 -10.418 5.966 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.983 6.399 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.829 6.086 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.956 5.236 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.677 6.934 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.415 5.639 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -13.047 3.702 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.428 4.043 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.379 4.283 -2.635 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.322 8.811 -2.516 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.807 10.172 -2.320 1.00 0.00 C ATOM 1760 C GLN A 113 -12.052 11.152 -3.212 1.00 0.00 C ATOM 1761 O GLN A 113 -12.650 12.030 -3.834 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.661 10.582 -0.854 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.523 9.764 0.095 1.00 0.00 C ATOM 1764 CD GLN A 113 -13.480 10.284 1.518 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -12.653 9.857 2.323 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -14.374 11.214 1.836 1.00 0.00 N ATOM 0 H GLN A 113 -11.803 8.430 -1.725 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.862 10.198 -2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.616 10.483 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.922 11.635 -0.752 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -14.554 9.771 -0.259 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.188 8.727 0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -15.042 11.540 1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -14.392 11.602 2.779 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.733 10.997 -3.269 1.00 0.00 N ATOM 1776 CA LYS A 114 -9.895 11.867 -4.085 1.00 0.00 C ATOM 1777 C LYS A 114 -10.357 11.862 -5.538 1.00 0.00 C ATOM 1778 O LYS A 114 -10.309 12.886 -6.219 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.432 11.424 -4.002 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.692 11.990 -2.803 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.433 13.479 -2.958 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.148 13.744 -3.728 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.099 15.133 -4.262 1.00 0.00 N ATOM 0 H LYS A 114 -10.222 10.276 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.984 12.882 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.393 10.335 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.917 11.728 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.274 11.814 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.744 11.466 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.272 13.943 -3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.371 13.943 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.292 13.575 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.065 13.035 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.208 15.274 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.902 15.286 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.152 15.810 -3.474 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.808 10.703 -6.007 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.274 10.587 -7.377 1.00 0.00 C ATOM 1799 C GLY A 115 -10.344 9.755 -8.237 1.00 0.00 C ATOM 1800 O GLY A 115 -10.247 9.970 -9.446 1.00 0.00 O ATOM 0 H GLY A 115 -10.859 9.842 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.268 10.139 -7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.371 11.583 -7.810 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.658 8.803 -7.615 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.729 7.936 -8.332 1.00 0.00 C ATOM 1806 C LEU A 116 -9.369 6.584 -8.632 1.00 0.00 C ATOM 1807 O LEU A 116 -9.222 6.047 -9.730 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.452 7.738 -7.515 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.549 8.964 -7.373 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.608 8.801 -6.189 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.761 9.197 -8.654 1.00 0.00 C ATOM 0 H LEU A 116 -9.727 8.612 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.477 8.417 -9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.732 7.400 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.873 6.936 -7.972 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.178 9.835 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.974 9.683 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.190 8.684 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.985 7.919 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.124 10.073 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.142 8.325 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.452 9.360 -9.481 1.00 0.00 H new ATOM 1823 N VAL A 117 -10.080 6.040 -7.650 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.745 4.753 -7.811 1.00 0.00 C ATOM 1825 C VAL A 117 -12.256 4.924 -7.920 1.00 0.00 C ATOM 1826 O VAL A 117 -12.914 5.356 -6.973 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.431 3.808 -6.635 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -11.183 2.495 -6.789 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.932 3.565 -6.535 1.00 0.00 C ATOM 0 H VAL A 117 -10.210 6.471 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.364 4.314 -8.733 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.763 4.282 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.949 1.841 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.255 2.690 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.885 2.012 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.727 2.896 -5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.574 3.112 -7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.420 4.514 -6.374 1.00 0.00 H new