USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 692 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 72 CYS SG : rot 151:sc= 0.825 USER MOD Set 1.2: A 75 CYS SG : rot -65:sc= -0.349! USER MOD Set 1.3: A 98 CYS SG : rot -134:sc= 0.203 USER MOD Set 1.4: A 101 CYS SG : rot 152:sc= -1.61 USER MOD Set 2.1: A 74 THR OG1 : rot -14:sc= 0.449 USER MOD Set 2.2: A 97 LYS NZ :NH3+ 167:sc= 0.384 (180deg=-0.00324) USER MOD Set 3.1: A 57 CYS SG : rot 157:sc= -0.508 USER MOD Set 3.2: A 60 CYS SG : rot -60:sc= -1.09! USER MOD Set 3.3: A 80 HIS : no HE2:sc= -1.02 X(o=-1.3,f=-1.6) USER MOD Set 3.4: A 83 CYS SG : rot 49:sc= 1.34 USER MOD Set 4.1: A 50 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.25) USER MOD Set 4.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 25 CYS SG : rot 147:sc= 0.708 USER MOD Set 5.2: A 28 CYS SG : rot -55:sc= -0.162 USER MOD Set 5.3: A 51 CYS SG : rot -145:sc= -0.75! USER MOD Set 5.4: A 54 CYS SG : rot 122:sc= -2.47 USER MOD Set 6.1: A 10 CYS SG : rot -172:sc= 0.538 USER MOD Set 6.2: A 13 CYS SG : rot -134:sc= -2.34 USER MOD Set 6.3: A 22 GLN : amide:sc= -6.73! C(o=-20!,f=-19!) USER MOD Set 6.4: A 31 HIS : no HE2:sc= -7.02! C(o=-20!,f=-21!) USER MOD Set 6.5: A 33 HIS : no HD1:sc= -3.26! X(o=-20!,f=-19) USER MOD Set 6.6: A 36 CYS SG : rot 124:sc= -1.01 USER MOD Single : A 9 ASN : amide:sc= -1.83 K(o=-1.8,f=-2.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 136:sc= -0.601 (180deg=-2.96!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0.85 (180deg=0.617) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= -0.0398 (180deg=-0.193) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.958 F(o=-2.3,f=-0.96) USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.269) USER MOD Single : A 62 GLN : amide:sc= -0.0893 K(o=-0.089,f=-1.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= 0.295 (180deg=0.0528) USER MOD Single : A 69 MET CE :methyl 157:sc= -0.0112 (180deg=-0.352) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00247 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -138:sc= -1.55 (180deg=-2.08) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -18.236 5.059 0.331 1.00 0.00 N ATOM 67 CA ALA A 8 -16.960 4.358 0.264 1.00 0.00 C ATOM 68 C ALA A 8 -16.529 3.869 1.643 1.00 0.00 C ATOM 69 O ALA A 8 -16.057 4.650 2.468 1.00 0.00 O ATOM 70 CB ALA A 8 -15.892 5.260 -0.336 1.00 0.00 C ATOM 0 HA ALA A 8 -17.086 3.487 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.945 4.723 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.188 5.555 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.777 6.149 0.284 1.00 0.00 H new ATOM 76 N ASN A 9 -16.696 2.573 1.885 1.00 0.00 N ATOM 77 CA ASN A 9 -16.325 1.981 3.166 1.00 0.00 C ATOM 78 C ASN A 9 -15.110 1.072 3.013 1.00 0.00 C ATOM 79 O ASN A 9 -14.623 0.849 1.904 1.00 0.00 O ATOM 80 CB ASN A 9 -17.499 1.189 3.744 1.00 0.00 C ATOM 81 CG ASN A 9 -18.423 2.052 4.582 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.211 3.257 4.717 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.454 1.438 5.149 1.00 0.00 N ATOM 0 H ASN A 9 -17.085 1.913 1.212 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.068 2.789 3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.066 0.739 2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.116 0.372 4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.110 1.967 5.724 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.591 0.437 5.010 1.00 0.00 H new ATOM 90 N CYS A 10 -14.624 0.549 4.133 1.00 0.00 N ATOM 91 CA CYS A 10 -13.466 -0.336 4.126 1.00 0.00 C ATOM 92 C CYS A 10 -13.645 -1.458 3.106 1.00 0.00 C ATOM 93 O CYS A 10 -14.766 -1.881 2.824 1.00 0.00 O ATOM 94 CB CYS A 10 -13.242 -0.929 5.518 1.00 0.00 C ATOM 95 SG CYS A 10 -11.619 -1.730 5.733 1.00 0.00 S ATOM 0 H CYS A 10 -15.015 0.723 5.059 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.593 0.252 3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.345 -0.137 6.260 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.025 -1.659 5.720 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.586 -2.343 6.879 1.00 0.00 H new ATOM 100 N ALA A 11 -12.532 -1.934 2.557 1.00 0.00 N ATOM 101 CA ALA A 11 -12.566 -3.007 1.571 1.00 0.00 C ATOM 102 C ALA A 11 -12.310 -4.361 2.224 1.00 0.00 C ATOM 103 O ALA A 11 -12.519 -5.407 1.610 1.00 0.00 O ATOM 104 CB ALA A 11 -11.545 -2.747 0.474 1.00 0.00 C ATOM 0 H ALA A 11 -11.596 -1.594 2.778 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.562 -3.029 1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.581 -3.556 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.774 -1.803 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.547 -2.696 0.910 1.00 0.00 H new ATOM 110 N VAL A 12 -11.856 -4.334 3.474 1.00 0.00 N ATOM 111 CA VAL A 12 -11.572 -5.560 4.211 1.00 0.00 C ATOM 112 C VAL A 12 -12.756 -5.962 5.084 1.00 0.00 C ATOM 113 O VAL A 12 -13.277 -7.072 4.969 1.00 0.00 O ATOM 114 CB VAL A 12 -10.323 -5.404 5.098 1.00 0.00 C ATOM 115 CG1 VAL A 12 -10.103 -6.656 5.934 1.00 0.00 C ATOM 116 CG2 VAL A 12 -9.100 -5.100 4.246 1.00 0.00 C ATOM 0 H VAL A 12 -11.677 -3.477 3.997 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.388 -6.340 3.472 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.482 -4.566 5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.216 -6.528 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.971 -6.825 6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.964 -7.513 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.226 -4.993 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.935 -5.916 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.261 -4.173 3.696 1.00 0.00 H new ATOM 126 N CYS A 13 -13.176 -5.053 5.957 1.00 0.00 N ATOM 127 CA CYS A 13 -14.298 -5.312 6.851 1.00 0.00 C ATOM 128 C CYS A 13 -15.611 -4.854 6.222 1.00 0.00 C ATOM 129 O CYS A 13 -16.667 -5.439 6.469 1.00 0.00 O ATOM 130 CB CYS A 13 -14.086 -4.602 8.189 1.00 0.00 C ATOM 131 SG CYS A 13 -14.234 -2.789 8.100 1.00 0.00 S ATOM 0 H CYS A 13 -12.756 -4.130 6.064 1.00 0.00 H new ATOM 0 HA CYS A 13 -14.353 -6.387 7.023 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.813 -4.980 8.908 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -13.097 -4.857 8.571 1.00 0.00 H new ATOM 0 HG CYS A 13 -13.248 -2.241 8.747 1.00 0.00 H new ATOM 136 N ASP A 14 -15.538 -3.806 5.409 1.00 0.00 N ATOM 137 CA ASP A 14 -16.719 -3.270 4.744 1.00 0.00 C ATOM 138 C ASP A 14 -17.586 -2.487 5.724 1.00 0.00 C ATOM 139 O ASP A 14 -18.802 -2.674 5.780 1.00 0.00 O ATOM 140 CB ASP A 14 -17.534 -4.401 4.115 1.00 0.00 C ATOM 141 CG ASP A 14 -18.449 -3.911 3.010 1.00 0.00 C ATOM 142 OD1 ASP A 14 -19.444 -3.224 3.324 1.00 0.00 O ATOM 143 OD2 ASP A 14 -18.170 -4.212 1.831 1.00 0.00 O ATOM 0 H ASP A 14 -14.672 -3.311 5.195 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.386 -2.592 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.856 -5.154 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.130 -4.888 4.887 1.00 0.00 H new ATOM 148 N SER A 15 -16.953 -1.609 6.496 1.00 0.00 N ATOM 149 CA SER A 15 -17.666 -0.801 7.478 1.00 0.00 C ATOM 150 C SER A 15 -17.135 0.630 7.493 1.00 0.00 C ATOM 151 O SER A 15 -15.970 0.890 7.190 1.00 0.00 O ATOM 152 CB SER A 15 -17.535 -1.420 8.872 1.00 0.00 C ATOM 153 OG SER A 15 -18.567 -2.361 9.111 1.00 0.00 O ATOM 0 H SER A 15 -15.948 -1.439 6.460 1.00 0.00 H new ATOM 0 HA SER A 15 -18.719 -0.777 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.565 -1.908 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.573 -0.635 9.627 1.00 0.00 H new ATOM 0 HG SER A 15 -18.460 -2.743 10.007 1.00 0.00 H new ATOM 159 N PRO A 16 -18.009 1.581 7.854 1.00 0.00 N ATOM 160 CA PRO A 16 -17.652 3.001 7.917 1.00 0.00 C ATOM 161 C PRO A 16 -16.696 3.308 9.064 1.00 0.00 C ATOM 162 O PRO A 16 -15.652 3.928 8.866 1.00 0.00 O ATOM 163 CB PRO A 16 -18.998 3.695 8.143 1.00 0.00 C ATOM 164 CG PRO A 16 -19.851 2.664 8.797 1.00 0.00 C ATOM 165 CD PRO A 16 -19.413 1.343 8.228 1.00 0.00 C ATOM 0 HA PRO A 16 -17.132 3.331 7.018 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.888 4.576 8.775 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.434 4.030 7.202 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.726 2.683 9.880 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.907 2.845 8.595 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.503 0.540 8.960 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -20.016 1.057 7.366 1.00 0.00 H new ATOM 173 N GLY A 17 -17.059 2.868 10.265 1.00 0.00 N ATOM 174 CA GLY A 17 -16.222 3.104 11.427 1.00 0.00 C ATOM 175 C GLY A 17 -15.474 4.421 11.344 1.00 0.00 C ATOM 176 O GLY A 17 -16.082 5.478 11.172 1.00 0.00 O ATOM 0 H GLY A 17 -17.918 2.352 10.454 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.841 3.097 12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.506 2.288 11.527 1.00 0.00 H new ATOM 180 N ASP A 18 -14.153 4.358 11.467 1.00 0.00 N ATOM 181 CA ASP A 18 -13.322 5.554 11.406 1.00 0.00 C ATOM 182 C ASP A 18 -12.845 5.812 9.980 1.00 0.00 C ATOM 183 O ASP A 18 -12.329 4.913 9.314 1.00 0.00 O ATOM 184 CB ASP A 18 -12.120 5.414 12.341 1.00 0.00 C ATOM 185 CG ASP A 18 -11.641 6.751 12.872 1.00 0.00 C ATOM 186 OD1 ASP A 18 -11.528 7.702 12.071 1.00 0.00 O ATOM 187 OD2 ASP A 18 -11.378 6.847 14.090 1.00 0.00 O ATOM 0 H ASP A 18 -13.635 3.491 11.610 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.926 6.403 11.727 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.387 4.769 13.178 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.304 4.924 11.809 1.00 0.00 H new ATOM 192 N LEU A 19 -13.021 7.045 9.516 1.00 0.00 N ATOM 193 CA LEU A 19 -12.610 7.421 8.168 1.00 0.00 C ATOM 194 C LEU A 19 -11.229 8.067 8.181 1.00 0.00 C ATOM 195 O LEU A 19 -10.413 7.831 7.289 1.00 0.00 O ATOM 196 CB LEU A 19 -13.629 8.382 7.553 1.00 0.00 C ATOM 197 CG LEU A 19 -15.028 7.813 7.313 1.00 0.00 C ATOM 198 CD1 LEU A 19 -15.981 8.911 6.866 1.00 0.00 C ATOM 199 CD2 LEU A 19 -14.979 6.695 6.282 1.00 0.00 C ATOM 0 H LEU A 19 -13.445 7.801 10.054 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.562 6.516 7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.719 9.251 8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.235 8.737 6.601 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.397 7.399 8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.972 8.488 6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.039 9.679 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.616 9.355 5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -15.983 6.302 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.589 7.084 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.329 5.897 6.641 1.00 0.00 H new ATOM 211 N LEU A 20 -10.971 8.882 9.198 1.00 0.00 N ATOM 212 CA LEU A 20 -9.687 9.561 9.329 1.00 0.00 C ATOM 213 C LEU A 20 -8.570 8.563 9.618 1.00 0.00 C ATOM 214 O LEU A 20 -7.560 8.526 8.915 1.00 0.00 O ATOM 215 CB LEU A 20 -9.752 10.607 10.443 1.00 0.00 C ATOM 216 CG LEU A 20 -10.575 11.860 10.141 1.00 0.00 C ATOM 217 CD1 LEU A 20 -11.185 12.418 11.417 1.00 0.00 C ATOM 218 CD2 LEU A 20 -9.715 12.910 9.454 1.00 0.00 C ATOM 0 H LEU A 20 -11.635 9.089 9.944 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.469 10.059 8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.162 10.134 11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.735 10.915 10.685 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.385 11.585 9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.767 13.309 11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.835 11.668 11.868 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.391 12.677 12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.317 13.795 9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.883 13.181 10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.327 12.507 8.518 1.00 0.00 H new ATOM 230 N ASP A 21 -8.761 7.753 10.654 1.00 0.00 N ATOM 231 CA ASP A 21 -7.771 6.752 11.033 1.00 0.00 C ATOM 232 C ASP A 21 -7.362 5.909 9.830 1.00 0.00 C ATOM 233 O ASP A 21 -6.176 5.667 9.605 1.00 0.00 O ATOM 234 CB ASP A 21 -8.325 5.850 12.138 1.00 0.00 C ATOM 235 CG ASP A 21 -7.235 5.078 12.855 1.00 0.00 C ATOM 236 OD1 ASP A 21 -6.216 4.751 12.210 1.00 0.00 O ATOM 237 OD2 ASP A 21 -7.400 4.801 14.061 1.00 0.00 O ATOM 0 H ASP A 21 -9.592 7.770 11.246 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.889 7.272 11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.871 6.458 12.860 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.039 5.149 11.707 1.00 0.00 H new ATOM 242 N GLN A 22 -8.350 5.464 9.061 1.00 0.00 N ATOM 243 CA GLN A 22 -8.092 4.647 7.882 1.00 0.00 C ATOM 244 C GLN A 22 -7.421 5.468 6.786 1.00 0.00 C ATOM 245 O GLN A 22 -7.539 6.694 6.754 1.00 0.00 O ATOM 246 CB GLN A 22 -9.397 4.045 7.357 1.00 0.00 C ATOM 247 CG GLN A 22 -10.419 5.086 6.931 1.00 0.00 C ATOM 248 CD GLN A 22 -11.524 4.502 6.072 1.00 0.00 C ATOM 249 OE1 GLN A 22 -11.813 5.005 4.986 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.148 3.435 6.556 1.00 0.00 N ATOM 0 H GLN A 22 -9.337 5.656 9.233 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.418 3.841 8.171 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.174 3.399 6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.834 3.415 8.131 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.857 5.544 7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.915 5.879 6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.875 3.052 7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.900 2.999 6.023 1.00 0.00 H new ATOM 259 N PHE A 23 -6.715 4.786 5.890 1.00 0.00 N ATOM 260 CA PHE A 23 -6.023 5.453 4.794 1.00 0.00 C ATOM 261 C PHE A 23 -6.901 5.503 3.546 1.00 0.00 C ATOM 262 O PHE A 23 -7.946 4.855 3.483 1.00 0.00 O ATOM 263 CB PHE A 23 -4.710 4.734 4.479 1.00 0.00 C ATOM 264 CG PHE A 23 -3.759 4.686 5.641 1.00 0.00 C ATOM 265 CD1 PHE A 23 -4.025 3.883 6.738 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.599 5.444 5.635 1.00 0.00 C ATOM 267 CE1 PHE A 23 -3.152 3.838 7.808 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.722 5.402 6.703 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.999 4.597 7.790 1.00 0.00 C ATOM 0 H PHE A 23 -6.607 3.772 5.902 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.804 6.475 5.104 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.930 3.716 4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.223 5.234 3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.925 3.286 6.757 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.378 6.075 4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.372 3.209 8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.822 5.998 6.687 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.315 4.561 8.625 1.00 0.00 H new ATOM 279 N PHE A 24 -6.468 6.276 2.556 1.00 0.00 N ATOM 280 CA PHE A 24 -7.214 6.412 1.310 1.00 0.00 C ATOM 281 C PHE A 24 -6.281 6.329 0.106 1.00 0.00 C ATOM 282 O PHE A 24 -5.472 7.227 -0.130 1.00 0.00 O ATOM 283 CB PHE A 24 -7.976 7.738 1.290 1.00 0.00 C ATOM 284 CG PHE A 24 -8.566 8.071 -0.051 1.00 0.00 C ATOM 285 CD1 PHE A 24 -7.826 8.764 -0.995 1.00 0.00 C ATOM 286 CD2 PHE A 24 -9.859 7.689 -0.368 1.00 0.00 C ATOM 287 CE1 PHE A 24 -8.366 9.071 -2.230 1.00 0.00 C ATOM 288 CE2 PHE A 24 -10.405 7.993 -1.601 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.657 8.684 -2.533 1.00 0.00 C ATOM 0 H PHE A 24 -5.605 6.818 2.592 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.928 5.590 1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.775 7.700 2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.302 8.540 1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.816 9.068 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.448 7.147 0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.779 9.613 -2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -11.415 7.690 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.081 8.922 -3.498 1.00 0.00 H new ATOM 299 N CYS A 25 -6.400 5.246 -0.654 1.00 0.00 N ATOM 300 CA CYS A 25 -5.568 5.043 -1.834 1.00 0.00 C ATOM 301 C CYS A 25 -5.856 6.106 -2.891 1.00 0.00 C ATOM 302 O CYS A 25 -6.934 6.700 -2.913 1.00 0.00 O ATOM 303 CB CYS A 25 -5.805 3.649 -2.418 1.00 0.00 C ATOM 304 SG CYS A 25 -4.662 3.203 -3.765 1.00 0.00 S ATOM 0 H CYS A 25 -7.065 4.494 -0.474 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.524 5.129 -1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.714 2.912 -1.620 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.828 3.592 -2.790 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.431 1.924 -3.733 1.00 0.00 H new ATOM 309 N THR A 26 -4.884 6.339 -3.768 1.00 0.00 N ATOM 310 CA THR A 26 -5.032 7.329 -4.827 1.00 0.00 C ATOM 311 C THR A 26 -5.369 6.665 -6.157 1.00 0.00 C ATOM 312 O THR A 26 -6.081 7.234 -6.985 1.00 0.00 O ATOM 313 CB THR A 26 -3.751 8.168 -4.995 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.640 7.312 -5.287 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.461 8.971 -3.736 1.00 0.00 C ATOM 0 H THR A 26 -3.986 5.855 -3.765 1.00 0.00 H new ATOM 0 HA THR A 26 -5.851 7.985 -4.534 1.00 0.00 H new ATOM 0 HB THR A 26 -3.903 8.861 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.830 7.853 -5.394 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.552 9.555 -3.878 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.295 9.642 -3.532 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.327 8.292 -2.894 1.00 0.00 H new ATOM 323 N THR A 27 -4.852 5.456 -6.358 1.00 0.00 N ATOM 324 CA THR A 27 -5.098 4.715 -7.588 1.00 0.00 C ATOM 325 C THR A 27 -6.531 4.199 -7.642 1.00 0.00 C ATOM 326 O THR A 27 -7.318 4.610 -8.497 1.00 0.00 O ATOM 327 CB THR A 27 -4.131 3.524 -7.729 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.783 3.997 -7.830 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.475 2.689 -8.953 1.00 0.00 C ATOM 0 H THR A 27 -4.260 4.970 -5.684 1.00 0.00 H new ATOM 0 HA THR A 27 -4.933 5.408 -8.413 1.00 0.00 H new ATOM 0 HB THR A 27 -4.230 2.897 -6.843 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.174 3.234 -7.918 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.779 1.854 -9.031 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.491 2.306 -8.858 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.402 3.307 -9.848 1.00 0.00 H new ATOM 337 N CYS A 28 -6.867 3.298 -6.725 1.00 0.00 N ATOM 338 CA CYS A 28 -8.206 2.726 -6.668 1.00 0.00 C ATOM 339 C CYS A 28 -9.138 3.606 -5.840 1.00 0.00 C ATOM 340 O CYS A 28 -10.281 3.851 -6.223 1.00 0.00 O ATOM 341 CB CYS A 28 -8.157 1.317 -6.075 1.00 0.00 C ATOM 342 SG CYS A 28 -7.704 1.268 -4.311 1.00 0.00 S ATOM 0 H CYS A 28 -6.229 2.948 -6.010 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.594 2.671 -7.685 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.132 0.847 -6.202 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.440 0.721 -6.640 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.574 1.886 -4.136 1.00 0.00 H new ATOM 347 N GLY A 29 -8.641 4.079 -4.701 1.00 0.00 N ATOM 348 CA GLY A 29 -9.441 4.926 -3.837 1.00 0.00 C ATOM 349 C GLY A 29 -10.274 4.129 -2.853 1.00 0.00 C ATOM 350 O GLY A 29 -11.430 4.463 -2.595 1.00 0.00 O ATOM 0 H GLY A 29 -7.698 3.890 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.785 5.603 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.099 5.544 -4.448 1.00 0.00 H new ATOM 354 N GLN A 30 -9.686 3.071 -2.303 1.00 0.00 N ATOM 355 CA GLN A 30 -10.383 2.223 -1.344 1.00 0.00 C ATOM 356 C GLN A 30 -10.102 2.673 0.086 1.00 0.00 C ATOM 357 O GLN A 30 -9.254 3.534 0.321 1.00 0.00 O ATOM 358 CB GLN A 30 -9.964 0.763 -1.523 1.00 0.00 C ATOM 359 CG GLN A 30 -10.394 0.165 -2.853 1.00 0.00 C ATOM 360 CD GLN A 30 -11.724 -0.557 -2.765 1.00 0.00 C ATOM 361 OE1 GLN A 30 -12.789 0.194 -2.510 1.00 0.00 O flip ATOM 362 NE2 GLN A 30 -11.794 -1.776 -2.925 1.00 0.00 N flip ATOM 0 H GLN A 30 -8.729 2.781 -2.505 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.453 2.312 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.880 0.692 -1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.389 0.170 -0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.464 0.958 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.629 -0.531 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.950 -2.314 -3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.696 -2.247 -2.863 1.00 0.00 H new ATOM 371 N HIS A 31 -10.820 2.085 1.038 1.00 0.00 N ATOM 372 CA HIS A 31 -10.648 2.426 2.446 1.00 0.00 C ATOM 373 C HIS A 31 -10.056 1.252 3.220 1.00 0.00 C ATOM 374 O HIS A 31 -10.432 0.100 3.004 1.00 0.00 O ATOM 375 CB HIS A 31 -11.986 2.835 3.061 1.00 0.00 C ATOM 376 CG HIS A 31 -12.546 4.101 2.488 1.00 0.00 C ATOM 377 ND1 HIS A 31 -13.482 4.874 3.143 1.00 0.00 N ATOM 378 CD2 HIS A 31 -12.297 4.729 1.315 1.00 0.00 C ATOM 379 CE1 HIS A 31 -13.784 5.921 2.397 1.00 0.00 C ATOM 380 NE2 HIS A 31 -13.079 5.857 1.283 1.00 0.00 N ATOM 0 H HIS A 31 -11.526 1.371 0.860 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.957 3.266 2.509 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.706 2.030 2.914 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.860 2.957 4.137 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -13.879 4.669 4.060 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.611 4.403 0.547 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.488 6.698 2.655 1.00 0.00 H new ATOM 389 N TYR A 32 -9.129 1.552 4.123 1.00 0.00 N ATOM 390 CA TYR A 32 -8.483 0.522 4.927 1.00 0.00 C ATOM 391 C TYR A 32 -8.174 1.039 6.329 1.00 0.00 C ATOM 392 O TYR A 32 -7.454 2.024 6.496 1.00 0.00 O ATOM 393 CB TYR A 32 -7.195 0.050 4.250 1.00 0.00 C ATOM 394 CG TYR A 32 -7.430 -0.733 2.979 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.712 -2.093 3.020 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.371 -0.114 1.737 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.928 -2.813 1.860 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.586 -0.825 0.572 1.00 0.00 C ATOM 399 CZ TYR A 32 -7.864 -2.175 0.639 1.00 0.00 C ATOM 400 OH TYR A 32 -8.078 -2.887 -0.518 1.00 0.00 O ATOM 0 H TYR A 32 -8.808 2.501 4.316 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.170 -0.320 5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.575 0.917 4.023 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.633 -0.569 4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.763 -2.596 3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.153 0.942 1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.146 -3.870 1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.537 -0.327 -0.385 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.998 -2.289 -1.290 1.00 0.00 H new ATOM 410 N HIS A 33 -8.725 0.366 7.335 1.00 0.00 N ATOM 411 CA HIS A 33 -8.508 0.756 8.724 1.00 0.00 C ATOM 412 C HIS A 33 -7.124 0.324 9.199 1.00 0.00 C ATOM 413 O HIS A 33 -6.562 -0.650 8.702 1.00 0.00 O ATOM 414 CB HIS A 33 -9.583 0.141 9.621 1.00 0.00 C ATOM 415 CG HIS A 33 -10.971 0.597 9.291 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.970 -0.263 8.886 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.525 1.832 9.310 1.00 0.00 C ATOM 418 CE1 HIS A 33 -13.078 0.423 8.669 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.835 1.697 8.919 1.00 0.00 N ATOM 0 H HIS A 33 -9.324 -0.451 7.214 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.571 1.842 8.786 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.537 -0.945 9.538 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.365 0.391 10.659 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.029 2.752 9.582 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -14.022 0.012 8.343 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.510 2.457 8.835 1.00 0.00 H new ATOM 427 N GLY A 34 -6.581 1.058 10.166 1.00 0.00 N ATOM 428 CA GLY A 34 -5.267 0.736 10.692 1.00 0.00 C ATOM 429 C GLY A 34 -5.209 -0.653 11.298 1.00 0.00 C ATOM 430 O GLY A 34 -4.149 -1.277 11.335 1.00 0.00 O ATOM 0 H GLY A 34 -7.027 1.869 10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.530 0.811 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.992 1.471 11.449 1.00 0.00 H new ATOM 434 N MET A 35 -6.351 -1.136 11.775 1.00 0.00 N ATOM 435 CA MET A 35 -6.425 -2.460 12.382 1.00 0.00 C ATOM 436 C MET A 35 -6.694 -3.528 11.327 1.00 0.00 C ATOM 437 O MET A 35 -6.054 -4.580 11.316 1.00 0.00 O ATOM 438 CB MET A 35 -7.521 -2.494 13.450 1.00 0.00 C ATOM 439 CG MET A 35 -7.296 -1.507 14.583 1.00 0.00 C ATOM 440 SD MET A 35 -6.211 -2.159 15.867 1.00 0.00 S ATOM 441 CE MET A 35 -4.602 -1.793 15.169 1.00 0.00 C ATOM 0 H MET A 35 -7.237 -0.631 11.753 1.00 0.00 H new ATOM 0 HA MET A 35 -5.464 -2.672 12.850 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.481 -2.282 12.980 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.583 -3.501 13.863 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.866 -0.590 14.181 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.257 -1.242 15.025 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.953 -1.385 15.944 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.161 -2.707 14.772 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.711 -1.064 14.366 1.00 0.00 H new ATOM 451 N CYS A 36 -7.646 -3.252 10.441 1.00 0.00 N ATOM 452 CA CYS A 36 -8.000 -4.189 9.382 1.00 0.00 C ATOM 453 C CYS A 36 -6.759 -4.645 8.620 1.00 0.00 C ATOM 454 O CYS A 36 -6.660 -5.801 8.206 1.00 0.00 O ATOM 455 CB CYS A 36 -8.997 -3.546 8.416 1.00 0.00 C ATOM 456 SG CYS A 36 -10.741 -3.763 8.895 1.00 0.00 S ATOM 0 H CYS A 36 -8.186 -2.387 10.436 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.462 -5.062 9.844 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.781 -2.480 8.344 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.849 -3.969 7.423 1.00 0.00 H new ATOM 0 HG CYS A 36 -11.315 -2.600 8.982 1.00 0.00 H new ATOM 461 N LEU A 37 -5.814 -3.729 8.439 1.00 0.00 N ATOM 462 CA LEU A 37 -4.577 -4.035 7.728 1.00 0.00 C ATOM 463 C LEU A 37 -3.415 -4.200 8.702 1.00 0.00 C ATOM 464 O LEU A 37 -2.284 -4.466 8.295 1.00 0.00 O ATOM 465 CB LEU A 37 -4.259 -2.930 6.719 1.00 0.00 C ATOM 466 CG LEU A 37 -4.842 -3.113 5.317 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.530 -1.904 4.448 1.00 0.00 C ATOM 468 CD2 LEU A 37 -4.305 -4.385 4.678 1.00 0.00 C ATOM 0 H LEU A 37 -5.880 -2.768 8.775 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.716 -4.976 7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.621 -1.984 7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.176 -2.846 6.632 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.925 -3.203 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.952 -2.052 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.964 -1.011 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.450 -1.782 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.731 -4.499 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.219 -4.325 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.580 -5.244 5.290 1.00 0.00 H new ATOM 480 N ASP A 38 -3.702 -4.044 9.989 1.00 0.00 N ATOM 481 CA ASP A 38 -2.682 -4.179 11.022 1.00 0.00 C ATOM 482 C ASP A 38 -1.520 -3.224 10.766 1.00 0.00 C ATOM 483 O ASP A 38 -0.356 -3.591 10.929 1.00 0.00 O ATOM 484 CB ASP A 38 -2.172 -5.619 11.080 1.00 0.00 C ATOM 485 CG ASP A 38 -1.544 -5.958 12.417 1.00 0.00 C ATOM 486 OD1 ASP A 38 -0.367 -5.597 12.629 1.00 0.00 O ATOM 487 OD2 ASP A 38 -2.229 -6.584 13.253 1.00 0.00 O ATOM 0 H ASP A 38 -4.633 -3.824 10.342 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.134 -3.924 11.980 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.999 -6.302 10.887 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.439 -5.774 10.288 1.00 0.00 H new ATOM 492 N ILE A 39 -1.844 -2.000 10.364 1.00 0.00 N ATOM 493 CA ILE A 39 -0.827 -0.994 10.086 1.00 0.00 C ATOM 494 C ILE A 39 -0.732 0.021 11.220 1.00 0.00 C ATOM 495 O ILE A 39 -1.712 0.278 11.920 1.00 0.00 O ATOM 496 CB ILE A 39 -1.117 -0.249 8.769 1.00 0.00 C ATOM 497 CG1 ILE A 39 -1.137 -1.232 7.596 1.00 0.00 C ATOM 498 CG2 ILE A 39 -0.081 0.840 8.537 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.736 -0.653 6.333 1.00 0.00 C ATOM 0 H ILE A 39 -2.803 -1.681 10.224 1.00 0.00 H new ATOM 0 HA ILE A 39 0.122 -1.523 9.994 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.098 0.220 8.842 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.118 -1.559 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.703 -2.118 7.884 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.300 1.357 7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.111 1.552 9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.911 0.392 8.480 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.718 -1.405 5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.766 -0.352 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.156 0.216 6.020 1.00 0.00 H new ATOM 511 N ALA A 40 0.453 0.596 11.395 1.00 0.00 N ATOM 512 CA ALA A 40 0.674 1.586 12.442 1.00 0.00 C ATOM 513 C ALA A 40 0.581 3.003 11.886 1.00 0.00 C ATOM 514 O ALA A 40 1.524 3.504 11.272 1.00 0.00 O ATOM 515 CB ALA A 40 2.028 1.364 13.100 1.00 0.00 C ATOM 0 H ALA A 40 1.275 0.393 10.825 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.107 1.466 13.192 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.180 2.110 13.880 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.060 0.367 13.540 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.815 1.455 12.352 1.00 0.00 H new ATOM 521 N VAL A 41 -0.562 3.646 12.104 1.00 0.00 N ATOM 522 CA VAL A 41 -0.778 5.006 11.625 1.00 0.00 C ATOM 523 C VAL A 41 0.465 5.864 11.828 1.00 0.00 C ATOM 524 O VAL A 41 1.046 5.889 12.914 1.00 0.00 O ATOM 525 CB VAL A 41 -1.970 5.670 12.341 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.143 7.105 11.869 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.242 4.867 12.113 1.00 0.00 C ATOM 0 H VAL A 41 -1.353 3.247 12.609 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.997 4.936 10.560 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.766 5.687 13.412 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.989 7.558 12.385 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.238 7.672 12.089 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.326 7.115 10.794 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.074 5.350 12.626 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.454 4.817 11.045 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.111 3.858 12.505 1.00 0.00 H new ATOM 537 N THR A 42 0.870 6.568 10.776 1.00 0.00 N ATOM 538 CA THR A 42 2.045 7.428 10.838 1.00 0.00 C ATOM 539 C THR A 42 1.820 8.723 10.065 1.00 0.00 C ATOM 540 O THR A 42 1.131 8.754 9.045 1.00 0.00 O ATOM 541 CB THR A 42 3.291 6.718 10.275 1.00 0.00 C ATOM 542 OG1 THR A 42 4.351 7.662 10.090 1.00 0.00 O ATOM 543 CG2 THR A 42 2.974 6.037 8.952 1.00 0.00 C ATOM 0 H THR A 42 0.401 6.559 9.870 1.00 0.00 H new ATOM 0 HA THR A 42 2.212 7.660 11.890 1.00 0.00 H new ATOM 0 HB THR A 42 3.604 5.958 10.991 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.140 7.202 9.734 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.869 5.543 8.574 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.187 5.298 9.103 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.639 6.782 8.230 1.00 0.00 H new ATOM 551 N PRO A 43 2.414 9.819 10.560 1.00 0.00 N ATOM 552 CA PRO A 43 2.294 11.137 9.931 1.00 0.00 C ATOM 553 C PRO A 43 3.037 11.215 8.602 1.00 0.00 C ATOM 554 O PRO A 43 3.112 12.277 7.982 1.00 0.00 O ATOM 555 CB PRO A 43 2.931 12.079 10.956 1.00 0.00 C ATOM 556 CG PRO A 43 3.877 11.221 11.722 1.00 0.00 C ATOM 557 CD PRO A 43 3.250 9.855 11.772 1.00 0.00 C ATOM 0 HA PRO A 43 1.259 11.382 9.692 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.451 12.903 10.467 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.178 12.520 11.610 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.852 11.185 11.236 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.035 11.615 12.726 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.003 9.067 11.764 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.655 9.719 12.675 1.00 0.00 H new ATOM 565 N LEU A 44 3.585 10.085 8.168 1.00 0.00 N ATOM 566 CA LEU A 44 4.322 10.025 6.911 1.00 0.00 C ATOM 567 C LEU A 44 3.482 9.374 5.817 1.00 0.00 C ATOM 568 O LEU A 44 3.367 9.902 4.711 1.00 0.00 O ATOM 569 CB LEU A 44 5.626 9.247 7.099 1.00 0.00 C ATOM 570 CG LEU A 44 6.450 9.002 5.834 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.334 10.202 5.532 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.289 7.742 5.980 1.00 0.00 C ATOM 0 H LEU A 44 3.533 9.198 8.669 1.00 0.00 H new ATOM 0 HA LEU A 44 4.555 11.045 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.247 9.786 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.389 8.282 7.546 1.00 0.00 H new ATOM 0 HG LEU A 44 5.764 8.863 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.913 10.009 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.711 11.084 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.012 10.374 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.869 7.583 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.966 7.852 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.635 6.886 6.147 1.00 0.00 H new ATOM 584 N LYS A 45 2.893 8.226 6.135 1.00 0.00 N ATOM 585 CA LYS A 45 2.059 7.504 5.181 1.00 0.00 C ATOM 586 C LYS A 45 0.822 8.317 4.815 1.00 0.00 C ATOM 587 O LYS A 45 0.510 8.496 3.638 1.00 0.00 O ATOM 588 CB LYS A 45 1.640 6.151 5.761 1.00 0.00 C ATOM 589 CG LYS A 45 2.747 5.111 5.738 1.00 0.00 C ATOM 590 CD LYS A 45 2.400 3.908 6.599 1.00 0.00 C ATOM 591 CE LYS A 45 3.649 3.233 7.143 1.00 0.00 C ATOM 592 NZ LYS A 45 3.325 2.238 8.203 1.00 0.00 N ATOM 0 H LYS A 45 2.978 7.776 7.046 1.00 0.00 H new ATOM 0 HA LYS A 45 2.644 7.339 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.308 6.293 6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.786 5.773 5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.922 4.787 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.675 5.558 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.765 4.223 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.825 3.192 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.178 2.737 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.323 3.988 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.170 1.670 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.016 2.735 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.563 1.613 7.871 1.00 0.00 H new ATOM 606 N ARG A 46 0.121 8.809 5.832 1.00 0.00 N ATOM 607 CA ARG A 46 -1.082 9.604 5.617 1.00 0.00 C ATOM 608 C ARG A 46 -0.970 10.425 4.336 1.00 0.00 C ATOM 609 O ARG A 46 -1.920 10.517 3.560 1.00 0.00 O ATOM 610 CB ARG A 46 -1.328 10.530 6.809 1.00 0.00 C ATOM 611 CG ARG A 46 -1.898 9.819 8.026 1.00 0.00 C ATOM 612 CD ARG A 46 -2.416 10.809 9.057 1.00 0.00 C ATOM 613 NE ARG A 46 -3.486 11.648 8.523 1.00 0.00 N ATOM 614 CZ ARG A 46 -3.273 12.799 7.896 1.00 0.00 C ATOM 615 NH1 ARG A 46 -2.037 13.247 7.725 1.00 0.00 N ATOM 616 NH2 ARG A 46 -4.299 13.506 7.437 1.00 0.00 N ATOM 0 H ARG A 46 0.366 8.671 6.813 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.925 8.920 5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.389 11.009 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.013 11.322 6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.707 9.157 7.717 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.128 9.192 8.476 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.782 10.266 9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.595 11.441 9.397 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.449 11.333 8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.246 12.707 8.076 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.877 14.132 7.243 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.252 13.165 7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.134 14.390 6.956 1.00 0.00 H new ATOM 630 N ALA A 47 0.199 11.021 4.122 1.00 0.00 N ATOM 631 CA ALA A 47 0.436 11.833 2.935 1.00 0.00 C ATOM 632 C ALA A 47 0.979 10.986 1.790 1.00 0.00 C ATOM 633 O ALA A 47 2.172 10.688 1.736 1.00 0.00 O ATOM 634 CB ALA A 47 1.397 12.968 3.256 1.00 0.00 C ATOM 0 H ALA A 47 0.996 10.957 4.755 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.517 12.257 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.565 13.567 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.970 13.596 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.345 12.555 3.600 1.00 0.00 H new ATOM 640 N GLY A 48 0.095 10.599 0.875 1.00 0.00 N ATOM 641 CA GLY A 48 0.505 9.788 -0.257 1.00 0.00 C ATOM 642 C GLY A 48 0.571 8.312 0.081 1.00 0.00 C ATOM 643 O GLY A 48 1.577 7.653 -0.181 1.00 0.00 O ATOM 0 H GLY A 48 -0.898 10.833 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.194 9.938 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.483 10.122 -0.604 1.00 0.00 H new ATOM 647 N TRP A 49 -0.503 7.792 0.665 1.00 0.00 N ATOM 648 CA TRP A 49 -0.562 6.384 1.040 1.00 0.00 C ATOM 649 C TRP A 49 -1.039 5.529 -0.128 1.00 0.00 C ATOM 650 O TRP A 49 -1.946 5.918 -0.863 1.00 0.00 O ATOM 651 CB TRP A 49 -1.491 6.194 2.241 1.00 0.00 C ATOM 652 CG TRP A 49 -1.604 4.767 2.684 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.696 4.064 3.423 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.686 3.869 2.414 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.149 2.783 3.629 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.368 2.638 3.021 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.894 3.985 1.721 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.213 1.534 2.953 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.732 2.888 1.654 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.389 1.676 2.268 1.00 0.00 C ATOM 0 H TRP A 49 -1.344 8.324 0.889 1.00 0.00 H new ATOM 0 HA TRP A 49 0.443 6.064 1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.126 6.797 3.072 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.483 6.568 1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.240 4.457 3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.657 2.057 4.150 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.168 4.916 1.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.950 0.599 3.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.667 2.966 1.119 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.066 0.837 2.199 1.00 0.00 H new ATOM 671 N GLN A 50 -0.423 4.362 -0.292 1.00 0.00 N ATOM 672 CA GLN A 50 -0.786 3.453 -1.373 1.00 0.00 C ATOM 673 C GLN A 50 -1.188 2.088 -0.823 1.00 0.00 C ATOM 674 O GLN A 50 -0.526 1.543 0.060 1.00 0.00 O ATOM 675 CB GLN A 50 0.379 3.299 -2.351 1.00 0.00 C ATOM 676 CG GLN A 50 0.389 4.345 -3.455 1.00 0.00 C ATOM 677 CD GLN A 50 1.127 3.878 -4.694 1.00 0.00 C ATOM 678 OE1 GLN A 50 2.350 3.738 -4.687 1.00 0.00 O ATOM 679 NE2 GLN A 50 0.385 3.635 -5.768 1.00 0.00 N ATOM 0 H GLN A 50 0.329 4.024 0.309 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.640 3.878 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.317 3.357 -1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.336 2.307 -2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.638 4.597 -3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.854 5.257 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.626 3.764 -5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.826 3.319 -6.632 1.00 0.00 H new ATOM 688 N CYS A 51 -2.277 1.540 -1.352 1.00 0.00 N ATOM 689 CA CYS A 51 -2.769 0.239 -0.914 1.00 0.00 C ATOM 690 C CYS A 51 -1.961 -0.889 -1.550 1.00 0.00 C ATOM 691 O CYS A 51 -1.332 -0.723 -2.595 1.00 0.00 O ATOM 692 CB CYS A 51 -4.249 0.085 -1.269 1.00 0.00 C ATOM 693 SG CYS A 51 -4.550 -0.475 -2.977 1.00 0.00 S ATOM 0 H CYS A 51 -2.836 1.977 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.654 0.179 0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.705 -0.625 -0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.749 1.042 -1.118 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.628 0.089 -3.435 1.00 0.00 H new ATOM 698 N PRO A 52 -1.979 -2.065 -0.905 1.00 0.00 N ATOM 699 CA PRO A 52 -1.255 -3.244 -1.389 1.00 0.00 C ATOM 700 C PRO A 52 -1.869 -3.820 -2.660 1.00 0.00 C ATOM 701 O PRO A 52 -1.342 -4.769 -3.239 1.00 0.00 O ATOM 702 CB PRO A 52 -1.385 -4.239 -0.233 1.00 0.00 C ATOM 703 CG PRO A 52 -2.627 -3.830 0.481 1.00 0.00 C ATOM 704 CD PRO A 52 -2.708 -2.334 0.346 1.00 0.00 C ATOM 0 HA PRO A 52 -0.224 -3.009 -1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.458 -5.263 -0.599 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.517 -4.196 0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.504 -4.309 0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.590 -4.126 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.741 -1.991 0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.249 -1.828 1.195 1.00 0.00 H new ATOM 712 N GLU A 53 -2.986 -3.240 -3.088 1.00 0.00 N ATOM 713 CA GLU A 53 -3.671 -3.698 -4.291 1.00 0.00 C ATOM 714 C GLU A 53 -3.290 -2.839 -5.494 1.00 0.00 C ATOM 715 O GLU A 53 -3.505 -3.229 -6.642 1.00 0.00 O ATOM 716 CB GLU A 53 -5.187 -3.663 -4.086 1.00 0.00 C ATOM 717 CG GLU A 53 -5.662 -4.510 -2.918 1.00 0.00 C ATOM 718 CD GLU A 53 -5.978 -5.937 -3.323 1.00 0.00 C ATOM 719 OE1 GLU A 53 -6.599 -6.128 -4.389 1.00 0.00 O ATOM 720 OE2 GLU A 53 -5.604 -6.862 -2.572 1.00 0.00 O ATOM 0 H GLU A 53 -3.435 -2.453 -2.620 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.361 -4.725 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.500 -2.631 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.677 -4.008 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.895 -4.517 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.551 -4.055 -2.482 1.00 0.00 H new ATOM 727 N CYS A 54 -2.722 -1.669 -5.222 1.00 0.00 N ATOM 728 CA CYS A 54 -2.311 -0.754 -6.280 1.00 0.00 C ATOM 729 C CYS A 54 -0.808 -0.498 -6.225 1.00 0.00 C ATOM 730 O CYS A 54 -0.107 -0.630 -7.228 1.00 0.00 O ATOM 731 CB CYS A 54 -3.070 0.570 -6.161 1.00 0.00 C ATOM 732 SG CYS A 54 -4.864 0.427 -6.442 1.00 0.00 S ATOM 0 H CYS A 54 -2.536 -1.332 -4.277 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.548 -1.216 -7.238 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.901 0.985 -5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.656 1.279 -6.878 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.503 0.850 -5.392 1.00 0.00 H new ATOM 737 N LYS A 55 -0.319 -0.131 -5.045 1.00 0.00 N ATOM 738 CA LYS A 55 1.101 0.142 -4.856 1.00 0.00 C ATOM 739 C LYS A 55 1.947 -0.689 -5.815 1.00 0.00 C ATOM 740 O LYS A 55 1.633 -1.847 -6.093 1.00 0.00 O ATOM 741 CB LYS A 55 1.510 -0.154 -3.411 1.00 0.00 C ATOM 742 CG LYS A 55 1.855 -1.612 -3.163 1.00 0.00 C ATOM 743 CD LYS A 55 2.420 -1.822 -1.768 1.00 0.00 C ATOM 744 CE LYS A 55 3.186 -3.133 -1.668 1.00 0.00 C ATOM 745 NZ LYS A 55 2.404 -4.275 -2.220 1.00 0.00 N ATOM 0 H LYS A 55 -0.886 -0.016 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 55 1.274 1.197 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.370 0.463 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.697 0.137 -2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.963 -2.225 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.581 -1.946 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.080 -0.993 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.608 -1.818 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.129 -3.045 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.432 -3.332 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.889 -5.168 -1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.454 -4.282 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.322 -4.173 -3.252 1.00 0.00 H new ATOM 759 N VAL A 56 3.022 -0.091 -6.318 1.00 0.00 N ATOM 760 CA VAL A 56 3.915 -0.776 -7.245 1.00 0.00 C ATOM 761 C VAL A 56 5.363 -0.349 -7.030 1.00 0.00 C ATOM 762 O VAL A 56 5.650 0.521 -6.208 1.00 0.00 O ATOM 763 CB VAL A 56 3.522 -0.504 -8.709 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.094 -0.956 -8.971 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.693 0.971 -9.040 1.00 0.00 C ATOM 0 H VAL A 56 3.296 0.867 -6.099 1.00 0.00 H new ATOM 0 HA VAL A 56 3.821 -1.843 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 56 4.184 -1.078 -9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.834 -0.756 -10.010 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.009 -2.025 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.414 -0.412 -8.316 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.411 1.146 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.057 1.567 -8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.734 1.258 -8.893 1.00 0.00 H new ATOM 775 N CYS A 57 6.273 -0.966 -7.777 1.00 0.00 N ATOM 776 CA CYS A 57 7.692 -0.650 -7.670 1.00 0.00 C ATOM 777 C CYS A 57 7.994 0.713 -8.285 1.00 0.00 C ATOM 778 O CYS A 57 7.776 0.928 -9.477 1.00 0.00 O ATOM 779 CB CYS A 57 8.529 -1.730 -8.359 1.00 0.00 C ATOM 780 SG CYS A 57 10.326 -1.537 -8.129 1.00 0.00 S ATOM 0 H CYS A 57 6.052 -1.688 -8.463 1.00 0.00 H new ATOM 0 HA CYS A 57 7.953 -0.617 -6.612 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.228 -2.706 -7.979 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.307 -1.721 -9.426 1.00 0.00 H new ATOM 0 HG CYS A 57 10.912 -2.684 -8.306 1.00 0.00 H new ATOM 785 N GLN A 58 8.497 1.629 -7.463 1.00 0.00 N ATOM 786 CA GLN A 58 8.828 2.971 -7.927 1.00 0.00 C ATOM 787 C GLN A 58 10.221 3.004 -8.547 1.00 0.00 C ATOM 788 O GLN A 58 10.766 4.074 -8.814 1.00 0.00 O ATOM 789 CB GLN A 58 8.749 3.967 -6.769 1.00 0.00 C ATOM 790 CG GLN A 58 7.327 4.361 -6.401 1.00 0.00 C ATOM 791 CD GLN A 58 6.831 5.558 -7.188 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.327 6.673 -7.022 1.00 0.00 O ATOM 793 NE2 GLN A 58 5.846 5.334 -8.050 1.00 0.00 N ATOM 0 H GLN A 58 8.684 1.466 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 58 8.103 3.254 -8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.235 3.534 -5.895 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.309 4.864 -7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.663 3.515 -6.577 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.281 4.587 -5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.465 4.394 -8.156 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.471 6.102 -8.607 1.00 0.00 H new ATOM 802 N ASN A 59 10.791 1.825 -8.773 1.00 0.00 N ATOM 803 CA ASN A 59 12.121 1.719 -9.362 1.00 0.00 C ATOM 804 C ASN A 59 12.039 1.250 -10.811 1.00 0.00 C ATOM 805 O ASN A 59 12.852 1.642 -11.649 1.00 0.00 O ATOM 806 CB ASN A 59 12.986 0.753 -8.549 1.00 0.00 C ATOM 807 CG ASN A 59 13.230 1.245 -7.136 1.00 0.00 C ATOM 808 OD1 ASN A 59 13.315 0.315 -6.192 1.00 0.00 O flip ATOM 809 ND2 ASN A 59 13.342 2.448 -6.896 1.00 0.00 N flip ATOM 0 H ASN A 59 10.353 0.930 -8.557 1.00 0.00 H new ATOM 0 HA ASN A 59 12.578 2.708 -9.345 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.501 -0.222 -8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.943 0.614 -9.053 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.270 3.128 -7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.507 2.764 -5.940 1.00 0.00 H new ATOM 816 N CYS A 60 11.052 0.409 -11.100 1.00 0.00 N ATOM 817 CA CYS A 60 10.863 -0.115 -12.447 1.00 0.00 C ATOM 818 C CYS A 60 9.406 0.018 -12.882 1.00 0.00 C ATOM 819 O CYS A 60 9.044 -0.351 -14.000 1.00 0.00 O ATOM 820 CB CYS A 60 11.295 -1.581 -12.513 1.00 0.00 C ATOM 821 SG CYS A 60 10.222 -2.715 -11.575 1.00 0.00 S ATOM 0 H CYS A 60 10.370 0.076 -10.419 1.00 0.00 H new ATOM 0 HA CYS A 60 11.482 0.469 -13.127 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.315 -1.896 -13.556 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.314 -1.666 -12.135 1.00 0.00 H new ATOM 0 HG CYS A 60 10.222 -2.374 -10.320 1.00 0.00 H new ATOM 826 N LYS A 61 8.574 0.547 -11.991 1.00 0.00 N ATOM 827 CA LYS A 61 7.157 0.730 -12.282 1.00 0.00 C ATOM 828 C LYS A 61 6.528 -0.573 -12.765 1.00 0.00 C ATOM 829 O LYS A 61 5.913 -0.617 -13.830 1.00 0.00 O ATOM 830 CB LYS A 61 6.969 1.822 -13.337 1.00 0.00 C ATOM 831 CG LYS A 61 6.790 3.211 -12.750 1.00 0.00 C ATOM 832 CD LYS A 61 8.039 3.671 -12.017 1.00 0.00 C ATOM 833 CE LYS A 61 8.886 4.593 -12.881 1.00 0.00 C ATOM 834 NZ LYS A 61 9.723 3.832 -13.849 1.00 0.00 N ATOM 0 H LYS A 61 8.857 0.857 -11.061 1.00 0.00 H new ATOM 0 HA LYS A 61 6.659 1.034 -11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.833 1.826 -14.001 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.099 1.580 -13.947 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.554 3.916 -13.547 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.943 3.211 -12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.754 4.189 -11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.629 2.803 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.237 5.280 -13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.529 5.199 -12.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.438 4.464 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.196 3.048 -13.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.120 3.452 -14.606 1.00 0.00 H new ATOM 848 N GLN A 62 6.685 -1.629 -11.974 1.00 0.00 N ATOM 849 CA GLN A 62 6.130 -2.932 -12.322 1.00 0.00 C ATOM 850 C GLN A 62 5.673 -3.680 -11.074 1.00 0.00 C ATOM 851 O GLN A 62 6.418 -3.799 -10.101 1.00 0.00 O ATOM 852 CB GLN A 62 7.166 -3.765 -13.079 1.00 0.00 C ATOM 853 CG GLN A 62 7.378 -3.313 -14.515 1.00 0.00 C ATOM 854 CD GLN A 62 7.794 -4.449 -15.429 1.00 0.00 C ATOM 855 OE1 GLN A 62 8.063 -5.561 -14.973 1.00 0.00 O ATOM 856 NE2 GLN A 62 7.848 -4.175 -16.727 1.00 0.00 N ATOM 0 H GLN A 62 7.191 -1.608 -11.089 1.00 0.00 H new ATOM 0 HA GLN A 62 5.264 -2.770 -12.964 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.117 -3.718 -12.548 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.852 -4.809 -13.078 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.457 -2.868 -14.891 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.141 -2.535 -14.538 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.617 -3.239 -17.061 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.121 -4.900 -17.390 1.00 0.00 H new ATOM 865 N SER A 63 4.442 -4.182 -11.108 1.00 0.00 N ATOM 866 CA SER A 63 3.884 -4.915 -9.978 1.00 0.00 C ATOM 867 C SER A 63 3.565 -6.354 -10.368 1.00 0.00 C ATOM 868 O SER A 63 2.792 -6.602 -11.293 1.00 0.00 O ATOM 869 CB SER A 63 2.620 -4.220 -9.467 1.00 0.00 C ATOM 870 OG SER A 63 2.075 -4.908 -8.354 1.00 0.00 O ATOM 0 H SER A 63 3.813 -4.094 -11.906 1.00 0.00 H new ATOM 0 HA SER A 63 4.629 -4.930 -9.182 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.854 -3.193 -9.185 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.880 -4.170 -10.266 1.00 0.00 H new ATOM 0 HG SER A 63 1.269 -4.444 -8.045 1.00 0.00 H new ATOM 876 N GLY A 64 4.166 -7.302 -9.655 1.00 0.00 N ATOM 877 CA GLY A 64 3.934 -8.706 -9.941 1.00 0.00 C ATOM 878 C GLY A 64 4.592 -9.620 -8.928 1.00 0.00 C ATOM 879 O GLY A 64 3.912 -10.347 -8.205 1.00 0.00 O ATOM 0 H GLY A 64 4.810 -7.123 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.861 -8.898 -9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.314 -8.938 -10.936 1.00 0.00 H new ATOM 883 N GLU A 65 5.920 -9.586 -8.876 1.00 0.00 N ATOM 884 CA GLU A 65 6.670 -10.421 -7.944 1.00 0.00 C ATOM 885 C GLU A 65 6.498 -9.927 -6.511 1.00 0.00 C ATOM 886 O GLU A 65 7.358 -9.226 -5.977 1.00 0.00 O ATOM 887 CB GLU A 65 8.154 -10.433 -8.317 1.00 0.00 C ATOM 888 CG GLU A 65 8.419 -10.874 -9.746 1.00 0.00 C ATOM 889 CD GLU A 65 8.173 -12.355 -9.956 1.00 0.00 C ATOM 890 OE1 GLU A 65 7.148 -12.862 -9.454 1.00 0.00 O ATOM 891 OE2 GLU A 65 9.005 -13.008 -10.620 1.00 0.00 O ATOM 0 H GLU A 65 6.499 -8.990 -9.468 1.00 0.00 H new ATOM 0 HA GLU A 65 6.278 -11.436 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.564 -9.434 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.686 -11.098 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.781 -10.304 -10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.451 -10.640 -10.009 1.00 0.00 H new ATOM 898 N ASP A 66 5.380 -10.295 -5.895 1.00 0.00 N ATOM 899 CA ASP A 66 5.094 -9.891 -4.523 1.00 0.00 C ATOM 900 C ASP A 66 6.198 -10.356 -3.578 1.00 0.00 C ATOM 901 O ASP A 66 6.810 -9.550 -2.878 1.00 0.00 O ATOM 902 CB ASP A 66 3.747 -10.457 -4.072 1.00 0.00 C ATOM 903 CG ASP A 66 3.696 -11.969 -4.161 1.00 0.00 C ATOM 904 OD1 ASP A 66 3.686 -12.497 -5.293 1.00 0.00 O ATOM 905 OD2 ASP A 66 3.666 -12.625 -3.099 1.00 0.00 O ATOM 0 H ASP A 66 4.657 -10.872 -6.324 1.00 0.00 H new ATOM 0 HA ASP A 66 5.050 -8.802 -4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.553 -10.150 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.953 -10.033 -4.687 1.00 0.00 H new ATOM 910 N SER A 67 6.446 -11.662 -3.563 1.00 0.00 N ATOM 911 CA SER A 67 7.472 -12.235 -2.700 1.00 0.00 C ATOM 912 C SER A 67 8.755 -11.412 -2.762 1.00 0.00 C ATOM 913 O SER A 67 9.202 -10.861 -1.756 1.00 0.00 O ATOM 914 CB SER A 67 7.760 -13.682 -3.107 1.00 0.00 C ATOM 915 OG SER A 67 8.069 -13.772 -4.487 1.00 0.00 O ATOM 0 H SER A 67 5.950 -12.343 -4.139 1.00 0.00 H new ATOM 0 HA SER A 67 7.101 -12.220 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.592 -14.070 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.894 -14.305 -2.884 1.00 0.00 H new ATOM 0 HG SER A 67 8.251 -14.706 -4.721 1.00 0.00 H new ATOM 921 N LYS A 68 9.344 -11.334 -3.951 1.00 0.00 N ATOM 922 CA LYS A 68 10.576 -10.579 -4.147 1.00 0.00 C ATOM 923 C LYS A 68 10.398 -9.127 -3.713 1.00 0.00 C ATOM 924 O LYS A 68 11.300 -8.532 -3.123 1.00 0.00 O ATOM 925 CB LYS A 68 11.004 -10.635 -5.615 1.00 0.00 C ATOM 926 CG LYS A 68 11.253 -12.044 -6.123 1.00 0.00 C ATOM 927 CD LYS A 68 11.686 -12.043 -7.580 1.00 0.00 C ATOM 928 CE LYS A 68 13.190 -11.856 -7.714 1.00 0.00 C ATOM 929 NZ LYS A 68 13.621 -11.833 -9.139 1.00 0.00 N ATOM 0 H LYS A 68 8.988 -11.785 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 68 11.353 -11.032 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.233 -10.168 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.912 -10.046 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.021 -12.521 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.345 -12.637 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.392 -12.982 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.170 -11.245 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.485 -10.925 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.704 -12.663 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.575 -12.238 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.958 -12.393 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.631 -10.852 -9.483 1.00 0.00 H new ATOM 943 N MET A 69 9.231 -8.565 -4.007 1.00 0.00 N ATOM 944 CA MET A 69 8.936 -7.183 -3.644 1.00 0.00 C ATOM 945 C MET A 69 9.046 -6.982 -2.136 1.00 0.00 C ATOM 946 O MET A 69 8.512 -7.770 -1.354 1.00 0.00 O ATOM 947 CB MET A 69 7.535 -6.797 -4.121 1.00 0.00 C ATOM 948 CG MET A 69 7.143 -5.372 -3.765 1.00 0.00 C ATOM 949 SD MET A 69 5.516 -4.919 -4.397 1.00 0.00 S ATOM 950 CE MET A 69 5.958 -3.680 -5.612 1.00 0.00 C ATOM 0 H MET A 69 8.474 -9.044 -4.495 1.00 0.00 H new ATOM 0 HA MET A 69 9.668 -6.540 -4.132 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.482 -6.920 -5.203 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.810 -7.484 -3.686 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.152 -5.257 -2.681 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.888 -4.684 -4.165 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.163 -3.598 -6.354 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.094 -2.718 -5.118 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.886 -3.969 -6.105 1.00 0.00 H new ATOM 960 N LEU A 70 9.742 -5.924 -1.734 1.00 0.00 N ATOM 961 CA LEU A 70 9.922 -5.620 -0.319 1.00 0.00 C ATOM 962 C LEU A 70 8.968 -4.517 0.127 1.00 0.00 C ATOM 963 O LEU A 70 9.017 -3.396 -0.380 1.00 0.00 O ATOM 964 CB LEU A 70 11.368 -5.199 -0.048 1.00 0.00 C ATOM 965 CG LEU A 70 12.436 -6.262 -0.309 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.826 -5.690 -0.074 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.202 -7.481 0.572 1.00 0.00 C ATOM 0 H LEU A 70 10.191 -5.263 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 70 9.698 -6.521 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.593 -4.328 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.445 -4.883 0.992 1.00 0.00 H new ATOM 0 HG LEU A 70 12.365 -6.574 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.573 -6.460 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.992 -4.849 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.910 -5.350 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.971 -8.227 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.245 -7.186 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.221 -7.904 0.355 1.00 0.00 H new ATOM 979 N VAL A 71 8.100 -4.842 1.080 1.00 0.00 N ATOM 980 CA VAL A 71 7.136 -3.878 1.597 1.00 0.00 C ATOM 981 C VAL A 71 7.683 -3.157 2.824 1.00 0.00 C ATOM 982 O VAL A 71 7.768 -3.733 3.909 1.00 0.00 O ATOM 983 CB VAL A 71 5.804 -4.558 1.966 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.822 -3.541 2.526 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.216 -5.269 0.756 1.00 0.00 C ATOM 0 H VAL A 71 8.045 -5.765 1.510 1.00 0.00 H new ATOM 0 HA VAL A 71 6.957 -3.153 0.803 1.00 0.00 H new ATOM 0 HB VAL A 71 5.998 -5.303 2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.887 -4.040 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.244 -3.082 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.630 -2.771 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.275 -5.744 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.036 -4.546 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.915 -6.028 0.404 1.00 0.00 H new ATOM 995 N CYS A 72 8.053 -1.894 2.646 1.00 0.00 N ATOM 996 CA CYS A 72 8.592 -1.093 3.738 1.00 0.00 C ATOM 997 C CYS A 72 7.524 -0.824 4.794 1.00 0.00 C ATOM 998 O CYS A 72 6.327 -0.913 4.519 1.00 0.00 O ATOM 999 CB CYS A 72 9.141 0.232 3.204 1.00 0.00 C ATOM 1000 SG CYS A 72 10.118 1.175 4.418 1.00 0.00 S ATOM 0 H CYS A 72 7.989 -1.402 1.755 1.00 0.00 H new ATOM 0 HA CYS A 72 9.403 -1.655 4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.762 0.030 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.308 0.849 2.866 1.00 0.00 H new ATOM 0 HG CYS A 72 11.013 1.885 3.797 1.00 0.00 H new ATOM 1005 N ASP A 73 7.965 -0.495 6.003 1.00 0.00 N ATOM 1006 CA ASP A 73 7.048 -0.212 7.101 1.00 0.00 C ATOM 1007 C ASP A 73 6.903 1.292 7.313 1.00 0.00 C ATOM 1008 O ASP A 73 5.802 1.794 7.542 1.00 0.00 O ATOM 1009 CB ASP A 73 7.540 -0.876 8.388 1.00 0.00 C ATOM 1010 CG ASP A 73 6.466 -0.931 9.457 1.00 0.00 C ATOM 1011 OD1 ASP A 73 5.284 -1.120 9.102 1.00 0.00 O ATOM 1012 OD2 ASP A 73 6.808 -0.784 10.650 1.00 0.00 O ATOM 0 H ASP A 73 8.952 -0.418 6.248 1.00 0.00 H new ATOM 0 HA ASP A 73 6.071 -0.620 6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.879 -1.888 8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.401 -0.328 8.770 1.00 0.00 H new ATOM 1017 N THR A 74 8.021 2.006 7.237 1.00 0.00 N ATOM 1018 CA THR A 74 8.019 3.452 7.423 1.00 0.00 C ATOM 1019 C THR A 74 7.193 4.144 6.345 1.00 0.00 C ATOM 1020 O THR A 74 6.204 4.816 6.641 1.00 0.00 O ATOM 1021 CB THR A 74 9.449 4.023 7.403 1.00 0.00 C ATOM 1022 OG1 THR A 74 10.220 3.452 8.466 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.429 5.538 7.541 1.00 0.00 C ATOM 0 H THR A 74 8.940 1.607 7.048 1.00 0.00 H new ATOM 0 HA THR A 74 7.572 3.644 8.399 1.00 0.00 H new ATOM 0 HB THR A 74 9.905 3.767 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.622 3.005 9.100 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.450 5.918 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.867 5.971 6.714 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.956 5.811 8.484 1.00 0.00 H new ATOM 1031 N CYS A 75 7.602 3.974 5.092 1.00 0.00 N ATOM 1032 CA CYS A 75 6.900 4.582 3.969 1.00 0.00 C ATOM 1033 C CYS A 75 5.808 3.654 3.443 1.00 0.00 C ATOM 1034 O CYS A 75 4.682 4.083 3.191 1.00 0.00 O ATOM 1035 CB CYS A 75 7.884 4.917 2.846 1.00 0.00 C ATOM 1036 SG CYS A 75 8.533 3.459 1.967 1.00 0.00 S ATOM 0 H CYS A 75 8.417 3.420 4.829 1.00 0.00 H new ATOM 0 HA CYS A 75 6.433 5.502 4.320 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.390 5.571 2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.720 5.477 3.265 1.00 0.00 H new ATOM 0 HG CYS A 75 9.255 2.748 2.781 1.00 0.00 H new ATOM 1041 N ASP A 76 6.150 2.381 3.282 1.00 0.00 N ATOM 1042 CA ASP A 76 5.199 1.391 2.788 1.00 0.00 C ATOM 1043 C ASP A 76 4.922 1.598 1.302 1.00 0.00 C ATOM 1044 O ASP A 76 3.771 1.744 0.888 1.00 0.00 O ATOM 1045 CB ASP A 76 3.893 1.468 3.579 1.00 0.00 C ATOM 1046 CG ASP A 76 3.028 0.237 3.391 1.00 0.00 C ATOM 1047 OD1 ASP A 76 3.585 -0.837 3.081 1.00 0.00 O ATOM 1048 OD2 ASP A 76 1.795 0.347 3.553 1.00 0.00 O ATOM 0 H ASP A 76 7.078 2.010 3.486 1.00 0.00 H new ATOM 0 HA ASP A 76 5.638 0.402 2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.120 1.591 4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.335 2.351 3.268 1.00 0.00 H new ATOM 1053 N LYS A 77 5.984 1.611 0.503 1.00 0.00 N ATOM 1054 CA LYS A 77 5.856 1.800 -0.937 1.00 0.00 C ATOM 1055 C LYS A 77 6.024 0.476 -1.676 1.00 0.00 C ATOM 1056 O LYS A 77 5.075 -0.041 -2.265 1.00 0.00 O ATOM 1057 CB LYS A 77 6.894 2.808 -1.434 1.00 0.00 C ATOM 1058 CG LYS A 77 6.523 4.253 -1.149 1.00 0.00 C ATOM 1059 CD LYS A 77 5.624 4.822 -2.233 1.00 0.00 C ATOM 1060 CE LYS A 77 4.960 6.115 -1.786 1.00 0.00 C ATOM 1061 NZ LYS A 77 3.802 6.473 -2.651 1.00 0.00 N ATOM 0 H LYS A 77 6.943 1.493 0.829 1.00 0.00 H new ATOM 0 HA LYS A 77 4.857 2.186 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.854 2.589 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.027 2.681 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.017 4.317 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.429 4.854 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.210 5.005 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.859 4.090 -2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.624 6.013 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.691 6.924 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.377 7.360 -2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.126 6.596 -3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.093 5.713 -2.613 1.00 0.00 H new ATOM 1075 N GLY A 78 7.236 -0.068 -1.640 1.00 0.00 N ATOM 1076 CA GLY A 78 7.505 -1.327 -2.309 1.00 0.00 C ATOM 1077 C GLY A 78 8.660 -1.230 -3.286 1.00 0.00 C ATOM 1078 O GLY A 78 8.634 -0.418 -4.210 1.00 0.00 O ATOM 0 H GLY A 78 8.037 0.341 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.727 -2.091 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.610 -1.651 -2.840 1.00 0.00 H new ATOM 1082 N TYR A 79 9.678 -2.059 -3.080 1.00 0.00 N ATOM 1083 CA TYR A 79 10.850 -2.060 -3.947 1.00 0.00 C ATOM 1084 C TYR A 79 11.431 -3.465 -4.076 1.00 0.00 C ATOM 1085 O TYR A 79 11.856 -4.067 -3.089 1.00 0.00 O ATOM 1086 CB TYR A 79 11.913 -1.104 -3.404 1.00 0.00 C ATOM 1087 CG TYR A 79 11.378 0.270 -3.070 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.227 1.237 -4.055 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.022 0.601 -1.768 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.740 2.494 -3.754 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.532 1.854 -1.458 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.393 2.798 -2.454 1.00 0.00 C ATOM 1093 OH TYR A 79 9.906 4.048 -2.150 1.00 0.00 O ATOM 0 H TYR A 79 9.715 -2.739 -2.320 1.00 0.00 H new ATOM 0 HA TYR A 79 10.539 -1.723 -4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.358 -1.539 -2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.711 -1.005 -4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.495 1.002 -5.074 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.131 -0.135 -0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.631 3.235 -4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.259 2.094 -0.441 1.00 0.00 H new ATOM 0 HH TYR A 79 9.709 4.098 -1.191 1.00 0.00 H new ATOM 1103 N HIS A 80 11.446 -3.982 -5.301 1.00 0.00 N ATOM 1104 CA HIS A 80 11.976 -5.316 -5.561 1.00 0.00 C ATOM 1105 C HIS A 80 13.415 -5.434 -5.069 1.00 0.00 C ATOM 1106 O HIS A 80 14.202 -4.493 -5.184 1.00 0.00 O ATOM 1107 CB HIS A 80 11.908 -5.632 -7.055 1.00 0.00 C ATOM 1108 CG HIS A 80 10.542 -5.451 -7.644 1.00 0.00 C ATOM 1109 ND1 HIS A 80 10.329 -4.942 -8.907 1.00 0.00 N ATOM 1110 CD2 HIS A 80 9.317 -5.716 -7.135 1.00 0.00 C ATOM 1111 CE1 HIS A 80 9.031 -4.900 -9.149 1.00 0.00 C ATOM 1112 NE2 HIS A 80 8.394 -5.365 -8.090 1.00 0.00 N ATOM 0 H HIS A 80 11.098 -3.498 -6.128 1.00 0.00 H new ATOM 0 HA HIS A 80 11.364 -6.036 -5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.612 -4.991 -7.586 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.231 -6.661 -7.215 1.00 0.00 H new ATOM 0 HD1 HIS A 80 11.059 -4.644 -9.554 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.104 -6.127 -6.159 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.569 -4.545 -10.059 1.00 0.00 H new ATOM 1120 N THR A 81 13.755 -6.596 -4.520 1.00 0.00 N ATOM 1121 CA THR A 81 15.098 -6.837 -4.009 1.00 0.00 C ATOM 1122 C THR A 81 16.155 -6.433 -5.030 1.00 0.00 C ATOM 1123 O THR A 81 17.097 -5.707 -4.709 1.00 0.00 O ATOM 1124 CB THR A 81 15.301 -8.317 -3.636 1.00 0.00 C ATOM 1125 OG1 THR A 81 14.903 -9.156 -4.726 1.00 0.00 O ATOM 1126 CG2 THR A 81 14.499 -8.677 -2.394 1.00 0.00 C ATOM 0 H THR A 81 13.117 -7.386 -4.418 1.00 0.00 H new ATOM 0 HA THR A 81 15.209 -6.226 -3.113 1.00 0.00 H new ATOM 0 HB THR A 81 16.359 -8.474 -3.425 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.037 -10.096 -4.481 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.658 -9.727 -2.150 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.824 -8.057 -1.559 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.439 -8.505 -2.583 1.00 0.00 H new ATOM 1134 N PHE A 82 15.994 -6.906 -6.261 1.00 0.00 N ATOM 1135 CA PHE A 82 16.935 -6.594 -7.330 1.00 0.00 C ATOM 1136 C PHE A 82 16.869 -5.114 -7.698 1.00 0.00 C ATOM 1137 O PHE A 82 17.837 -4.545 -8.204 1.00 0.00 O ATOM 1138 CB PHE A 82 16.642 -7.451 -8.563 1.00 0.00 C ATOM 1139 CG PHE A 82 15.184 -7.509 -8.920 1.00 0.00 C ATOM 1140 CD1 PHE A 82 14.624 -6.560 -9.760 1.00 0.00 C ATOM 1141 CD2 PHE A 82 14.374 -8.514 -8.416 1.00 0.00 C ATOM 1142 CE1 PHE A 82 13.283 -6.611 -10.089 1.00 0.00 C ATOM 1143 CE2 PHE A 82 13.032 -8.570 -8.742 1.00 0.00 C ATOM 1144 CZ PHE A 82 12.486 -7.618 -9.581 1.00 0.00 C ATOM 0 H PHE A 82 15.220 -7.507 -6.543 1.00 0.00 H new ATOM 0 HA PHE A 82 17.940 -6.817 -6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.200 -7.055 -9.412 1.00 0.00 H new ATOM 0 HB3 PHE A 82 17.005 -8.463 -8.387 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.243 -5.771 -10.162 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.796 -9.262 -7.761 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.858 -5.864 -10.743 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.411 -9.357 -8.341 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.438 -7.661 -9.839 1.00 0.00 H new ATOM 1154 N CYS A 83 15.721 -4.497 -7.441 1.00 0.00 N ATOM 1155 CA CYS A 83 15.526 -3.085 -7.745 1.00 0.00 C ATOM 1156 C CYS A 83 16.071 -2.207 -6.622 1.00 0.00 C ATOM 1157 O CYS A 83 15.649 -1.062 -6.454 1.00 0.00 O ATOM 1158 CB CYS A 83 14.041 -2.789 -7.964 1.00 0.00 C ATOM 1159 SG CYS A 83 13.398 -3.357 -9.571 1.00 0.00 S ATOM 0 H CYS A 83 14.911 -4.954 -7.022 1.00 0.00 H new ATOM 0 HA CYS A 83 16.073 -2.857 -8.659 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.466 -3.261 -7.167 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.879 -1.714 -7.880 1.00 0.00 H new ATOM 0 HG CYS A 83 13.763 -4.588 -9.774 1.00 0.00 H new ATOM 1164 N LEU A 84 17.011 -2.750 -5.857 1.00 0.00 N ATOM 1165 CA LEU A 84 17.615 -2.017 -4.750 1.00 0.00 C ATOM 1166 C LEU A 84 19.111 -1.824 -4.976 1.00 0.00 C ATOM 1167 O LEU A 84 19.807 -2.746 -5.402 1.00 0.00 O ATOM 1168 CB LEU A 84 17.378 -2.757 -3.432 1.00 0.00 C ATOM 1169 CG LEU A 84 15.924 -2.854 -2.969 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.812 -3.751 -1.746 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.367 -1.469 -2.669 1.00 0.00 C ATOM 0 H LEU A 84 17.372 -3.696 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 84 17.145 -1.035 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.776 -3.767 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.955 -2.261 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 84 15.335 -3.295 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.770 -3.808 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.172 -4.750 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.414 -3.339 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.331 -1.557 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.959 -1.001 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.412 -0.856 -3.569 1.00 0.00 H new ATOM 1183 N GLN A 85 19.598 -0.622 -4.687 1.00 0.00 N ATOM 1184 CA GLN A 85 21.012 -0.310 -4.858 1.00 0.00 C ATOM 1185 C GLN A 85 21.630 0.151 -3.542 1.00 0.00 C ATOM 1186 O GLN A 85 21.411 1.272 -3.084 1.00 0.00 O ATOM 1187 CB GLN A 85 21.192 0.770 -5.926 1.00 0.00 C ATOM 1188 CG GLN A 85 21.318 0.217 -7.336 1.00 0.00 C ATOM 1189 CD GLN A 85 21.243 1.298 -8.396 1.00 0.00 C ATOM 1190 OE1 GLN A 85 22.247 1.645 -9.018 1.00 0.00 O ATOM 1191 NE2 GLN A 85 20.048 1.837 -8.608 1.00 0.00 N ATOM 0 H GLN A 85 19.035 0.151 -4.334 1.00 0.00 H new ATOM 0 HA GLN A 85 21.523 -1.218 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.343 1.453 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 85 22.082 1.355 -5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 85 22.265 -0.314 -7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 85 20.526 -0.511 -7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.242 1.519 -8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.936 2.569 -9.309 1.00 0.00 H new ATOM 1200 N PRO A 86 22.423 -0.734 -2.919 1.00 0.00 N ATOM 1201 CA PRO A 86 22.691 -2.072 -3.454 1.00 0.00 C ATOM 1202 C PRO A 86 21.465 -2.977 -3.392 1.00 0.00 C ATOM 1203 O PRO A 86 20.435 -2.606 -2.831 1.00 0.00 O ATOM 1204 CB PRO A 86 23.796 -2.605 -2.540 1.00 0.00 C ATOM 1205 CG PRO A 86 23.623 -1.860 -1.261 1.00 0.00 C ATOM 1206 CD PRO A 86 23.117 -0.496 -1.642 1.00 0.00 C ATOM 0 HA PRO A 86 22.969 -2.042 -4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.700 -3.680 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.783 -2.431 -2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.917 -2.369 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.567 -1.789 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.442 -0.092 -0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.933 0.218 -1.755 1.00 0.00 H new ATOM 1214 N VAL A 87 21.585 -4.167 -3.973 1.00 0.00 N ATOM 1215 CA VAL A 87 20.487 -5.127 -3.982 1.00 0.00 C ATOM 1216 C VAL A 87 20.463 -5.947 -2.697 1.00 0.00 C ATOM 1217 O VAL A 87 21.504 -6.207 -2.095 1.00 0.00 O ATOM 1218 CB VAL A 87 20.587 -6.082 -5.186 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.793 -7.354 -4.926 1.00 0.00 C ATOM 1220 CG2 VAL A 87 20.105 -5.393 -6.454 1.00 0.00 C ATOM 0 H VAL A 87 22.431 -4.489 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 87 19.564 -4.552 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 87 21.633 -6.357 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.875 -8.017 -5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.189 -7.856 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.746 -7.102 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 87 20.183 -6.082 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 87 19.066 -5.088 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.721 -4.514 -6.647 1.00 0.00 H new ATOM 1230 N MET A 88 19.267 -6.352 -2.282 1.00 0.00 N ATOM 1231 CA MET A 88 19.108 -7.145 -1.069 1.00 0.00 C ATOM 1232 C MET A 88 19.264 -8.632 -1.367 1.00 0.00 C ATOM 1233 O MET A 88 18.296 -9.312 -1.709 1.00 0.00 O ATOM 1234 CB MET A 88 17.739 -6.880 -0.437 1.00 0.00 C ATOM 1235 CG MET A 88 17.643 -5.533 0.261 1.00 0.00 C ATOM 1236 SD MET A 88 18.223 -5.591 1.967 1.00 0.00 S ATOM 1237 CE MET A 88 16.829 -6.378 2.772 1.00 0.00 C ATOM 0 H MET A 88 18.394 -6.144 -2.768 1.00 0.00 H new ATOM 0 HA MET A 88 19.888 -6.850 -0.367 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.974 -6.934 -1.211 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.521 -7.669 0.282 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.228 -4.799 -0.293 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.608 -5.193 0.245 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.629 -5.882 3.722 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.950 -6.304 2.132 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.059 -7.428 2.953 1.00 0.00 H new ATOM 1247 N LYS A 89 20.487 -9.133 -1.234 1.00 0.00 N ATOM 1248 CA LYS A 89 20.771 -10.540 -1.488 1.00 0.00 C ATOM 1249 C LYS A 89 19.721 -11.433 -0.834 1.00 0.00 C ATOM 1250 O LYS A 89 19.313 -12.446 -1.402 1.00 0.00 O ATOM 1251 CB LYS A 89 22.163 -10.904 -0.965 1.00 0.00 C ATOM 1252 CG LYS A 89 22.833 -12.020 -1.747 1.00 0.00 C ATOM 1253 CD LYS A 89 23.598 -11.480 -2.945 1.00 0.00 C ATOM 1254 CE LYS A 89 22.656 -10.978 -4.028 1.00 0.00 C ATOM 1255 NZ LYS A 89 23.338 -10.861 -5.346 1.00 0.00 N ATOM 0 H LYS A 89 21.299 -8.584 -0.951 1.00 0.00 H new ATOM 0 HA LYS A 89 20.741 -10.702 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 89 22.797 -10.018 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 89 22.083 -11.202 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 89 23.515 -12.565 -1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 89 22.080 -12.731 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 89 24.251 -10.668 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 89 24.238 -12.263 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 89 21.809 -11.658 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.255 -10.006 -3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.662 -10.516 -6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 24.131 -10.192 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 23.698 -11.793 -5.634 1.00 0.00 H new ATOM 1269 N SER A 90 19.288 -11.050 0.363 1.00 0.00 N ATOM 1270 CA SER A 90 18.287 -11.818 1.095 1.00 0.00 C ATOM 1271 C SER A 90 17.095 -10.942 1.465 1.00 0.00 C ATOM 1272 O SER A 90 17.091 -9.738 1.209 1.00 0.00 O ATOM 1273 CB SER A 90 18.902 -12.423 2.359 1.00 0.00 C ATOM 1274 OG SER A 90 19.682 -13.565 2.050 1.00 0.00 O ATOM 0 H SER A 90 19.614 -10.213 0.846 1.00 0.00 H new ATOM 0 HA SER A 90 17.937 -12.623 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.523 -11.679 2.857 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.111 -12.697 3.057 1.00 0.00 H new ATOM 0 HG SER A 90 20.065 -13.932 2.874 1.00 0.00 H new ATOM 1280 N VAL A 91 16.082 -11.556 2.069 1.00 0.00 N ATOM 1281 CA VAL A 91 14.883 -10.834 2.476 1.00 0.00 C ATOM 1282 C VAL A 91 14.795 -10.727 3.995 1.00 0.00 C ATOM 1283 O VAL A 91 15.062 -11.680 4.726 1.00 0.00 O ATOM 1284 CB VAL A 91 13.609 -11.517 1.946 1.00 0.00 C ATOM 1285 CG1 VAL A 91 12.367 -10.798 2.451 1.00 0.00 C ATOM 1286 CG2 VAL A 91 13.625 -11.567 0.426 1.00 0.00 C ATOM 0 H VAL A 91 16.068 -12.552 2.287 1.00 0.00 H new ATOM 0 HA VAL A 91 14.955 -9.834 2.048 1.00 0.00 H new ATOM 0 HB VAL A 91 13.584 -12.540 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.477 -11.295 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.352 -10.820 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.381 -9.763 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.717 -12.053 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.674 -10.553 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.495 -12.131 0.090 1.00 0.00 H new ATOM 1296 N PRO A 92 14.410 -9.538 4.483 1.00 0.00 N ATOM 1297 CA PRO A 92 14.276 -9.278 5.919 1.00 0.00 C ATOM 1298 C PRO A 92 13.097 -10.023 6.536 1.00 0.00 C ATOM 1299 O PRO A 92 12.110 -10.313 5.859 1.00 0.00 O ATOM 1300 CB PRO A 92 14.047 -7.766 5.986 1.00 0.00 C ATOM 1301 CG PRO A 92 13.457 -7.413 4.664 1.00 0.00 C ATOM 1302 CD PRO A 92 14.075 -8.357 3.669 1.00 0.00 C ATOM 0 HA PRO A 92 15.149 -9.616 6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.374 -7.503 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 92 14.981 -7.231 6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.372 -7.518 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.673 -6.377 4.405 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.381 -8.606 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.961 -7.926 3.202 1.00 0.00 H new ATOM 1310 N THR A 93 13.206 -10.329 7.825 1.00 0.00 N ATOM 1311 CA THR A 93 12.149 -11.041 8.533 1.00 0.00 C ATOM 1312 C THR A 93 11.709 -10.277 9.776 1.00 0.00 C ATOM 1313 O THR A 93 11.280 -10.873 10.763 1.00 0.00 O ATOM 1314 CB THR A 93 12.603 -12.454 8.946 1.00 0.00 C ATOM 1315 OG1 THR A 93 13.785 -12.373 9.750 1.00 0.00 O ATOM 1316 CG2 THR A 93 12.874 -13.315 7.722 1.00 0.00 C ATOM 0 H THR A 93 14.015 -10.095 8.400 1.00 0.00 H new ATOM 0 HA THR A 93 11.308 -11.124 7.845 1.00 0.00 H new ATOM 0 HB THR A 93 11.802 -12.915 9.524 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.066 -13.275 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 93 13.193 -14.308 8.039 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.964 -13.399 7.127 1.00 0.00 H new ATOM 0 HG23 THR A 93 13.659 -12.856 7.121 1.00 0.00 H new ATOM 1324 N ASN A 94 11.818 -8.953 9.721 1.00 0.00 N ATOM 1325 CA ASN A 94 11.430 -8.107 10.844 1.00 0.00 C ATOM 1326 C ASN A 94 11.501 -6.631 10.463 1.00 0.00 C ATOM 1327 O ASN A 94 12.585 -6.072 10.302 1.00 0.00 O ATOM 1328 CB ASN A 94 12.333 -8.378 12.049 1.00 0.00 C ATOM 1329 CG ASN A 94 11.849 -7.677 13.303 1.00 0.00 C ATOM 1330 OD1 ASN A 94 10.693 -7.261 13.389 1.00 0.00 O ATOM 1331 ND2 ASN A 94 12.733 -7.542 14.285 1.00 0.00 N ATOM 0 H ASN A 94 12.172 -8.443 8.911 1.00 0.00 H new ATOM 0 HA ASN A 94 10.400 -8.347 11.109 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.379 -9.452 12.231 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.347 -8.050 11.821 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.464 -7.079 15.153 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.681 -7.902 14.171 1.00 0.00 H new ATOM 1338 N GLY A 95 10.336 -6.006 10.319 1.00 0.00 N ATOM 1339 CA GLY A 95 10.288 -4.601 9.959 1.00 0.00 C ATOM 1340 C GLY A 95 11.441 -4.192 9.065 1.00 0.00 C ATOM 1341 O GLY A 95 12.516 -3.839 9.550 1.00 0.00 O ATOM 0 H GLY A 95 9.425 -6.448 10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.347 -4.391 9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.303 -3.996 10.866 1.00 0.00 H new ATOM 1345 N TRP A 96 11.219 -4.241 7.756 1.00 0.00 N ATOM 1346 CA TRP A 96 12.250 -3.874 6.792 1.00 0.00 C ATOM 1347 C TRP A 96 12.320 -2.361 6.619 1.00 0.00 C ATOM 1348 O TRP A 96 11.362 -1.647 6.916 1.00 0.00 O ATOM 1349 CB TRP A 96 11.977 -4.542 5.443 1.00 0.00 C ATOM 1350 CG TRP A 96 12.869 -4.048 4.345 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.232 -4.120 4.300 1.00 0.00 C ATOM 1352 CD2 TRP A 96 12.460 -3.405 3.133 1.00 0.00 C ATOM 1353 NE1 TRP A 96 14.695 -3.560 3.134 1.00 0.00 N ATOM 1354 CE2 TRP A 96 13.627 -3.115 2.400 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.221 -3.047 2.595 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 13.590 -2.483 1.160 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.185 -2.420 1.363 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.363 -2.144 0.657 1.00 0.00 C ATOM 0 H TRP A 96 10.335 -4.531 7.338 1.00 0.00 H new ATOM 0 HA TRP A 96 13.210 -4.222 7.174 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.103 -5.620 5.547 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.938 -4.368 5.163 1.00 0.00 H new ATOM 0 HD1 TRP A 96 14.855 -4.554 5.068 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.675 -3.487 2.859 1.00 0.00 H new ATOM 0 HE3 TRP A 96 10.308 -3.256 3.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.497 -2.268 0.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.233 -2.138 0.938 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.302 -1.654 -0.303 1.00 0.00 H new ATOM 1369 N LYS A 97 13.460 -1.877 6.137 1.00 0.00 N ATOM 1370 CA LYS A 97 13.654 -0.448 5.922 1.00 0.00 C ATOM 1371 C LYS A 97 14.230 -0.179 4.536 1.00 0.00 C ATOM 1372 O LYS A 97 15.388 -0.496 4.261 1.00 0.00 O ATOM 1373 CB LYS A 97 14.585 0.127 6.993 1.00 0.00 C ATOM 1374 CG LYS A 97 13.851 0.687 8.199 1.00 0.00 C ATOM 1375 CD LYS A 97 13.264 2.058 7.909 1.00 0.00 C ATOM 1376 CE LYS A 97 13.152 2.896 9.173 1.00 0.00 C ATOM 1377 NZ LYS A 97 12.219 2.288 10.161 1.00 0.00 N ATOM 0 H LYS A 97 14.264 -2.454 5.888 1.00 0.00 H new ATOM 0 HA LYS A 97 12.682 0.040 5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.269 -0.654 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.192 0.916 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.054 0.003 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.537 0.755 9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.889 2.576 7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.278 1.945 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.138 3.006 9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.806 3.897 8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.334 2.758 11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.240 2.406 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.431 1.275 10.261 1.00 0.00 H new ATOM 1391 N CYS A 98 13.416 0.408 3.665 1.00 0.00 N ATOM 1392 CA CYS A 98 13.844 0.721 2.307 1.00 0.00 C ATOM 1393 C CYS A 98 14.838 1.879 2.303 1.00 0.00 C ATOM 1394 O CYS A 98 14.762 2.780 3.139 1.00 0.00 O ATOM 1395 CB CYS A 98 12.635 1.069 1.437 1.00 0.00 C ATOM 1396 SG CYS A 98 12.114 2.811 1.550 1.00 0.00 S ATOM 0 H CYS A 98 12.455 0.677 3.876 1.00 0.00 H new ATOM 0 HA CYS A 98 14.338 -0.160 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 98 12.870 0.838 0.398 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.799 0.431 1.724 1.00 0.00 H new ATOM 0 HG CYS A 98 10.823 2.869 1.693 1.00 0.00 H new ATOM 1401 N LYS A 99 15.769 1.848 1.357 1.00 0.00 N ATOM 1402 CA LYS A 99 16.778 2.895 1.241 1.00 0.00 C ATOM 1403 C LYS A 99 16.164 4.271 1.477 1.00 0.00 C ATOM 1404 O LYS A 99 16.488 4.947 2.452 1.00 0.00 O ATOM 1405 CB LYS A 99 17.435 2.848 -0.140 1.00 0.00 C ATOM 1406 CG LYS A 99 18.220 4.102 -0.483 1.00 0.00 C ATOM 1407 CD LYS A 99 19.343 3.806 -1.463 1.00 0.00 C ATOM 1408 CE LYS A 99 20.633 3.449 -0.741 1.00 0.00 C ATOM 1409 NZ LYS A 99 21.444 4.657 -0.423 1.00 0.00 N ATOM 0 H LYS A 99 15.847 1.109 0.658 1.00 0.00 H new ATOM 0 HA LYS A 99 17.537 2.720 2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.103 1.988 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.664 2.694 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.549 4.847 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.635 4.533 0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.050 2.983 -2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.510 4.675 -2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.398 2.917 0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 99 21.220 2.770 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.315 4.371 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.690 5.152 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.894 5.293 0.189 1.00 0.00 H new ATOM 1423 N ASN A 100 15.275 4.679 0.577 1.00 0.00 N ATOM 1424 CA ASN A 100 14.614 5.975 0.688 1.00 0.00 C ATOM 1425 C ASN A 100 14.339 6.321 2.148 1.00 0.00 C ATOM 1426 O ASN A 100 14.298 7.494 2.523 1.00 0.00 O ATOM 1427 CB ASN A 100 13.305 5.973 -0.103 1.00 0.00 C ATOM 1428 CG ASN A 100 12.578 7.301 -0.021 1.00 0.00 C ATOM 1429 OD1 ASN A 100 12.278 7.790 1.069 1.00 0.00 O ATOM 1430 ND2 ASN A 100 12.290 7.891 -1.175 1.00 0.00 N ATOM 0 H ASN A 100 14.996 4.131 -0.237 1.00 0.00 H new ATOM 0 HA ASN A 100 15.280 6.732 0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.515 5.741 -1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.656 5.183 0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.801 8.786 -1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.558 7.449 -2.054 1.00 0.00 H new ATOM 1437 N CYS A 101 14.150 5.294 2.969 1.00 0.00 N ATOM 1438 CA CYS A 101 13.878 5.487 4.388 1.00 0.00 C ATOM 1439 C CYS A 101 15.163 5.398 5.205 1.00 0.00 C ATOM 1440 O CYS A 101 15.406 6.217 6.092 1.00 0.00 O ATOM 1441 CB CYS A 101 12.872 4.446 4.883 1.00 0.00 C ATOM 1442 SG CYS A 101 11.143 4.813 4.441 1.00 0.00 S ATOM 0 H CYS A 101 14.180 4.318 2.675 1.00 0.00 H new ATOM 0 HA CYS A 101 13.454 6.482 4.519 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.142 3.473 4.473 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.950 4.368 5.967 1.00 0.00 H new ATOM 0 HG CYS A 101 10.474 3.702 4.345 1.00 0.00 H new ATOM 1447 N ARG A 102 15.983 4.397 4.901 1.00 0.00 N ATOM 1448 CA ARG A 102 17.243 4.200 5.607 1.00 0.00 C ATOM 1449 C ARG A 102 17.939 5.534 5.861 1.00 0.00 C ATOM 1450 O ARG A 102 18.540 5.740 6.916 1.00 0.00 O ATOM 1451 CB ARG A 102 18.163 3.277 4.805 1.00 0.00 C ATOM 1452 CG ARG A 102 19.101 4.018 3.867 1.00 0.00 C ATOM 1453 CD ARG A 102 20.060 3.065 3.170 1.00 0.00 C ATOM 1454 NE ARG A 102 21.204 2.726 4.013 1.00 0.00 N ATOM 1455 CZ ARG A 102 21.909 1.608 3.880 1.00 0.00 C ATOM 1456 NH1 ARG A 102 21.589 0.727 2.942 1.00 0.00 N ATOM 1457 NH2 ARG A 102 22.936 1.371 4.685 1.00 0.00 N ATOM 0 H ARG A 102 15.797 3.710 4.170 1.00 0.00 H new ATOM 0 HA ARG A 102 17.023 3.736 6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.754 2.677 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.553 2.586 4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 102 18.519 4.560 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 102 19.668 4.760 4.429 1.00 0.00 H new ATOM 0 HD2 ARG A 102 19.529 2.153 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 102 20.414 3.519 2.244 1.00 0.00 H new ATOM 0 HE ARG A 102 21.476 3.384 4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.800 0.907 2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.132 -0.131 2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 102 23.185 2.047 5.407 1.00 0.00 H new ATOM 0 HH22 ARG A 102 23.477 0.512 4.582 1.00 0.00 H new ATOM 1471 N ILE A 103 17.854 6.434 4.888 1.00 0.00 N ATOM 1472 CA ILE A 103 18.475 7.748 5.007 1.00 0.00 C ATOM 1473 C ILE A 103 18.342 8.292 6.425 1.00 0.00 C ATOM 1474 O ILE A 103 17.330 8.074 7.092 1.00 0.00 O ATOM 1475 CB ILE A 103 17.853 8.755 4.022 1.00 0.00 C ATOM 1476 CG1 ILE A 103 18.208 8.379 2.582 1.00 0.00 C ATOM 1477 CG2 ILE A 103 18.326 10.166 4.339 1.00 0.00 C ATOM 1478 CD1 ILE A 103 17.220 7.427 1.944 1.00 0.00 C ATOM 0 H ILE A 103 17.361 6.278 4.009 1.00 0.00 H new ATOM 0 HA ILE A 103 19.531 7.622 4.767 1.00 0.00 H new ATOM 0 HB ILE A 103 16.769 8.723 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 103 18.265 9.287 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 103 19.199 7.925 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 103 17.878 10.867 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 103 18.027 10.431 5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 103 19.412 10.213 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 103 17.535 7.205 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 103 17.180 6.503 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 103 16.232 7.886 1.926 1.00 0.00 H new