USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=34 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 77 LYS NZ :NH3+ -141:sc=-0.00191 (180deg=0) USER MOD Set 1.2: A 100 ASN : amide:sc= -0.0107 X(o=-0.013,f=0.22) USER MOD Set 2.1: A 72 CYS SG : rot 152:sc= 1.31 USER MOD Set 2.2: A 75 CYS SG : rot -64:sc= -2.69 USER MOD Set 2.3: A 98 CYS SG : rot -130:sc= 0.597 USER MOD Set 2.4: A 101 CYS SG : rot 151:sc= -1.31 USER MOD Set 3.1: A 55 LYS NZ :NH3+ -174:sc= -0.399 (180deg=-0.44) USER MOD Set 3.2: A 69 MET CE :methyl -141:sc= -0.19 (180deg=-0.962) USER MOD Set 4.1: A 57 CYS SG : rot 166:sc= 1.13 USER MOD Set 4.2: A 60 CYS SG : rot -65:sc= -0.859 USER MOD Set 4.3: A 62 GLN : amide:sc= 0 K(o=-5,f=-3.4) USER MOD Set 4.4: A 80 HIS : no HE2:sc= -6.45! K(o=-5!,f=-2.9) USER MOD Set 4.5: A 83 CYS SG : rot 64:sc= 1.21 USER MOD Set 5.1: A 42 THR OG1 : rot 170:sc= 0.461 USER MOD Set 5.2: A 45 LYS NZ :NH3+ -115:sc= 1.14 (180deg=-0.875) USER MOD Set 6.1: A 25 CYS SG : rot 147:sc= 0.602 USER MOD Set 6.2: A 28 CYS SG : rot -57:sc= -0.288 USER MOD Set 6.3: A 51 CYS SG : rot -142:sc= -0.588! USER MOD Set 6.4: A 54 CYS SG : rot 123:sc= -2.53 USER MOD Set 7.1: A 10 CYS SG : rot -167:sc= 0.132 USER MOD Set 7.2: A 13 CYS SG : rot -126:sc= -3.31 USER MOD Set 7.3: A 22 GLN : amide:sc= -2.55! C(o=-14!,f=-17!) USER MOD Set 7.4: A 31 HIS : no HD1:sc= -8.18! C(o=-14!,f=-13!) USER MOD Set 7.5: A 33 HIS : no HD1:sc= 0.379 K(o=-14,f=-17) USER MOD Set 7.6: A 36 CYS SG : rot 120:sc= -0.705 USER MOD Single : A 9 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.61) USER MOD Single : A 15 SER OG : rot 22:sc= 0.0243 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 32 TYR OH : rot -111:sc= -0.741 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.43) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 20:sc= 0.414 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0709 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.237 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.36 X(o=0.36,f=0) USER MOD Single : A 88 MET CE :methyl 161:sc= -0.2 (180deg=-0.685) 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= -0.287 X(o=-0.29,f=-0.29) USER MOD Single : A 97 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.465) USER MOD Single : A 99 LYS NZ :NH3+ -160:sc= -0.028 (180deg=-0.219) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -17.762 4.251 1.995 1.00 0.00 N ATOM 67 CA ALA A 8 -16.404 3.724 1.956 1.00 0.00 C ATOM 68 C ALA A 8 -16.175 2.713 3.074 1.00 0.00 C ATOM 69 O ALA A 8 -15.838 3.082 4.198 1.00 0.00 O ATOM 70 CB ALA A 8 -15.395 4.859 2.053 1.00 0.00 C ATOM 0 HA ALA A 8 -16.267 3.211 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.385 4.451 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.535 5.543 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.541 5.397 2.990 1.00 0.00 H new ATOM 76 N ASN A 9 -16.362 1.436 2.758 1.00 0.00 N ATOM 77 CA ASN A 9 -16.177 0.371 3.737 1.00 0.00 C ATOM 78 C ASN A 9 -14.809 -0.285 3.576 1.00 0.00 C ATOM 79 O ASN A 9 -14.229 -0.279 2.489 1.00 0.00 O ATOM 80 CB ASN A 9 -17.279 -0.680 3.593 1.00 0.00 C ATOM 81 CG ASN A 9 -17.733 -0.848 2.155 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.581 -0.099 1.669 1.00 0.00 O ATOM 83 ND2 ASN A 9 -17.170 -1.835 1.469 1.00 0.00 N ATOM 0 H ASN A 9 -16.642 1.113 1.832 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.233 0.813 4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -16.917 -1.636 3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.132 -0.395 4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.436 -1.998 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.471 -2.431 1.913 1.00 0.00 H new ATOM 90 N CYS A 10 -14.298 -0.850 4.664 1.00 0.00 N ATOM 91 CA CYS A 10 -12.998 -1.511 4.645 1.00 0.00 C ATOM 92 C CYS A 10 -12.995 -2.675 3.659 1.00 0.00 C ATOM 93 O CYS A 10 -13.817 -3.586 3.756 1.00 0.00 O ATOM 94 CB CYS A 10 -12.637 -2.012 6.045 1.00 0.00 C ATOM 95 SG CYS A 10 -10.901 -2.535 6.222 1.00 0.00 S ATOM 0 H CYS A 10 -14.764 -0.864 5.571 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.252 -0.784 4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.843 -1.221 6.767 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.286 -2.851 6.298 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.755 -3.182 7.340 1.00 0.00 H new ATOM 100 N ALA A 11 -12.063 -2.639 2.712 1.00 0.00 N ATOM 101 CA ALA A 11 -11.950 -3.691 1.710 1.00 0.00 C ATOM 102 C ALA A 11 -11.379 -4.968 2.317 1.00 0.00 C ATOM 103 O ALA A 11 -11.108 -5.938 1.609 1.00 0.00 O ATOM 104 CB ALA A 11 -11.086 -3.224 0.549 1.00 0.00 C ATOM 0 H ALA A 11 -11.375 -1.892 2.618 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.950 -3.912 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.011 -4.020 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.537 -2.344 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.090 -2.973 0.914 1.00 0.00 H new ATOM 110 N VAL A 12 -11.198 -4.962 3.634 1.00 0.00 N ATOM 111 CA VAL A 12 -10.659 -6.120 4.337 1.00 0.00 C ATOM 112 C VAL A 12 -11.687 -6.708 5.297 1.00 0.00 C ATOM 113 O VAL A 12 -11.934 -7.915 5.298 1.00 0.00 O ATOM 114 CB VAL A 12 -9.387 -5.757 5.125 1.00 0.00 C ATOM 115 CG1 VAL A 12 -8.825 -6.983 5.828 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.347 -5.139 4.202 1.00 0.00 C ATOM 0 H VAL A 12 -11.417 -4.168 4.236 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.408 -6.861 3.578 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.650 -5.021 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.926 -6.706 6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.568 -7.378 6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.577 -7.745 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.455 -4.889 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.087 -5.851 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.753 -4.234 3.750 1.00 0.00 H new ATOM 126 N CYS A 13 -12.286 -5.847 6.114 1.00 0.00 N ATOM 127 CA CYS A 13 -13.289 -6.280 7.080 1.00 0.00 C ATOM 128 C CYS A 13 -14.685 -5.844 6.646 1.00 0.00 C ATOM 129 O CYS A 13 -15.687 -6.417 7.075 1.00 0.00 O ATOM 130 CB CYS A 13 -12.972 -5.711 8.464 1.00 0.00 C ATOM 131 SG CYS A 13 -13.271 -3.921 8.619 1.00 0.00 S ATOM 0 H CYS A 13 -12.094 -4.845 6.126 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.266 -7.369 7.128 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.574 -6.235 9.207 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -11.927 -5.916 8.699 1.00 0.00 H new ATOM 0 HG CYS A 13 -12.195 -3.338 9.057 1.00 0.00 H new ATOM 136 N ASP A 14 -14.743 -4.827 5.794 1.00 0.00 N ATOM 137 CA ASP A 14 -16.016 -4.314 5.301 1.00 0.00 C ATOM 138 C ASP A 14 -16.837 -3.712 6.437 1.00 0.00 C ATOM 139 O ASP A 14 -17.996 -4.072 6.638 1.00 0.00 O ATOM 140 CB ASP A 14 -16.810 -5.430 4.618 1.00 0.00 C ATOM 141 CG ASP A 14 -16.014 -6.124 3.530 1.00 0.00 C ATOM 142 OD1 ASP A 14 -16.043 -5.645 2.377 1.00 0.00 O ATOM 143 OD2 ASP A 14 -15.362 -7.145 3.832 1.00 0.00 O ATOM 0 H ASP A 14 -13.923 -4.341 5.430 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.806 -3.530 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.116 -6.163 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.721 -5.013 4.188 1.00 0.00 H new ATOM 148 N SER A 15 -16.226 -2.793 7.178 1.00 0.00 N ATOM 149 CA SER A 15 -16.898 -2.144 8.298 1.00 0.00 C ATOM 150 C SER A 15 -16.492 -0.677 8.398 1.00 0.00 C ATOM 151 O SER A 15 -15.329 -0.314 8.223 1.00 0.00 O ATOM 152 CB SER A 15 -16.569 -2.866 9.606 1.00 0.00 C ATOM 153 OG SER A 15 -17.425 -3.978 9.804 1.00 0.00 O ATOM 0 H SER A 15 -15.267 -2.481 7.023 1.00 0.00 H new ATOM 0 HA SER A 15 -17.973 -2.195 8.124 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.532 -3.200 9.590 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.668 -2.174 10.442 1.00 0.00 H new ATOM 0 HG SER A 15 -17.792 -4.266 8.942 1.00 0.00 H new ATOM 159 N PRO A 16 -17.475 0.189 8.688 1.00 0.00 N ATOM 160 CA PRO A 16 -17.246 1.631 8.819 1.00 0.00 C ATOM 161 C PRO A 16 -16.439 1.979 10.065 1.00 0.00 C ATOM 162 O PRO A 16 -15.425 2.671 9.986 1.00 0.00 O ATOM 163 CB PRO A 16 -18.660 2.207 8.920 1.00 0.00 C ATOM 164 CG PRO A 16 -19.486 1.091 9.460 1.00 0.00 C ATOM 165 CD PRO A 16 -18.885 -0.173 8.910 1.00 0.00 C ATOM 0 HA PRO A 16 -16.667 2.029 7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.688 3.075 9.579 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.025 2.534 7.946 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.472 1.087 10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.527 1.193 9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.982 -1.002 9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.372 -0.480 7.984 1.00 0.00 H new ATOM 173 N GLY A 17 -16.896 1.494 11.215 1.00 0.00 N ATOM 174 CA GLY A 17 -16.204 1.764 12.462 1.00 0.00 C ATOM 175 C GLY A 17 -15.567 3.140 12.485 1.00 0.00 C ATOM 176 O GLY A 17 -16.264 4.153 12.554 1.00 0.00 O ATOM 0 H GLY A 17 -17.733 0.919 11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.907 1.679 13.290 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.434 1.008 12.618 1.00 0.00 H new ATOM 180 N ASP A 18 -14.240 3.177 12.429 1.00 0.00 N ATOM 181 CA ASP A 18 -13.509 4.438 12.445 1.00 0.00 C ATOM 182 C ASP A 18 -13.032 4.807 11.044 1.00 0.00 C ATOM 183 O ASP A 18 -12.423 3.992 10.350 1.00 0.00 O ATOM 184 CB ASP A 18 -12.316 4.349 13.397 1.00 0.00 C ATOM 185 CG ASP A 18 -12.668 4.774 14.809 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.218 5.883 14.974 1.00 0.00 O ATOM 187 OD2 ASP A 18 -12.394 3.999 15.749 1.00 0.00 O ATOM 0 H ASP A 18 -13.649 2.348 12.372 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.186 5.217 12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.942 3.325 13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.508 4.978 13.022 1.00 0.00 H new ATOM 192 N LEU A 19 -13.312 6.039 10.634 1.00 0.00 N ATOM 193 CA LEU A 19 -12.912 6.516 9.314 1.00 0.00 C ATOM 194 C LEU A 19 -11.593 7.278 9.388 1.00 0.00 C ATOM 195 O LEU A 19 -10.812 7.282 8.436 1.00 0.00 O ATOM 196 CB LEU A 19 -14.001 7.413 8.723 1.00 0.00 C ATOM 197 CG LEU A 19 -15.153 6.695 8.019 1.00 0.00 C ATOM 198 CD1 LEU A 19 -14.623 5.770 6.935 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.990 5.917 9.024 1.00 0.00 C ATOM 0 H LEU A 19 -13.814 6.726 11.196 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.774 5.650 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.416 8.023 9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.535 8.095 8.012 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.789 7.445 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.457 5.268 6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.068 6.352 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.964 5.026 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.805 5.412 8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.364 5.177 9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.401 6.604 9.764 1.00 0.00 H new ATOM 211 N LEU A 20 -11.351 7.922 10.525 1.00 0.00 N ATOM 212 CA LEU A 20 -10.124 8.686 10.724 1.00 0.00 C ATOM 213 C LEU A 20 -8.896 7.796 10.569 1.00 0.00 C ATOM 214 O LEU A 20 -7.837 8.251 10.136 1.00 0.00 O ATOM 215 CB LEU A 20 -10.125 9.337 12.108 1.00 0.00 C ATOM 216 CG LEU A 20 -10.735 10.737 12.192 1.00 0.00 C ATOM 217 CD1 LEU A 20 -11.104 11.074 13.628 1.00 0.00 C ATOM 218 CD2 LEU A 20 -9.772 11.772 11.629 1.00 0.00 C ATOM 0 H LEU A 20 -11.987 7.930 11.322 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.083 9.465 9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.666 8.685 12.794 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.096 9.389 12.464 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.645 10.753 11.593 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.536 12.074 13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.830 10.350 13.997 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.210 11.040 14.251 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.222 12.762 11.697 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.844 11.755 12.201 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.559 11.541 10.585 1.00 0.00 H new ATOM 230 N ASP A 21 -9.045 6.524 10.924 1.00 0.00 N ATOM 231 CA ASP A 21 -7.948 5.569 10.821 1.00 0.00 C ATOM 232 C ASP A 21 -8.085 4.718 9.562 1.00 0.00 C ATOM 233 O ASP A 21 -7.776 3.527 9.571 1.00 0.00 O ATOM 234 CB ASP A 21 -7.910 4.669 12.058 1.00 0.00 C ATOM 235 CG ASP A 21 -8.233 5.423 13.332 1.00 0.00 C ATOM 236 OD1 ASP A 21 -7.894 6.623 13.415 1.00 0.00 O ATOM 237 OD2 ASP A 21 -8.826 4.815 14.247 1.00 0.00 O ATOM 0 H ASP A 21 -9.914 6.131 11.285 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.015 6.129 10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.621 3.853 11.932 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.921 4.219 12.146 1.00 0.00 H new ATOM 242 N GLN A 22 -8.551 5.338 8.483 1.00 0.00 N ATOM 243 CA GLN A 22 -8.730 4.636 7.217 1.00 0.00 C ATOM 244 C GLN A 22 -7.836 5.231 6.134 1.00 0.00 C ATOM 245 O GLN A 22 -7.988 6.394 5.758 1.00 0.00 O ATOM 246 CB GLN A 22 -10.194 4.699 6.778 1.00 0.00 C ATOM 247 CG GLN A 22 -11.087 3.697 7.492 1.00 0.00 C ATOM 248 CD GLN A 22 -12.343 3.373 6.708 1.00 0.00 C ATOM 249 OE1 GLN A 22 -12.684 4.062 5.746 1.00 0.00 O ATOM 250 NE2 GLN A 22 -13.040 2.319 7.116 1.00 0.00 N ATOM 0 H GLN A 22 -8.811 6.324 8.460 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.447 3.594 7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.575 5.704 6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.250 4.523 5.704 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.527 2.779 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.365 4.095 8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.721 1.776 7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.895 2.052 6.627 1.00 0.00 H new ATOM 259 N PHE A 23 -6.903 4.426 5.636 1.00 0.00 N ATOM 260 CA PHE A 23 -5.984 4.873 4.597 1.00 0.00 C ATOM 261 C PHE A 23 -6.729 5.158 3.296 1.00 0.00 C ATOM 262 O PHE A 23 -7.765 4.555 3.016 1.00 0.00 O ATOM 263 CB PHE A 23 -4.901 3.818 4.356 1.00 0.00 C ATOM 264 CG PHE A 23 -3.821 3.819 5.399 1.00 0.00 C ATOM 265 CD1 PHE A 23 -2.721 4.652 5.276 1.00 0.00 C ATOM 266 CD2 PHE A 23 -3.905 2.986 6.503 1.00 0.00 C ATOM 267 CE1 PHE A 23 -1.725 4.655 6.234 1.00 0.00 C ATOM 268 CE2 PHE A 23 -2.913 2.985 7.465 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.821 3.820 7.330 1.00 0.00 C ATOM 0 H PHE A 23 -6.764 3.461 5.936 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.514 5.796 4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.365 2.832 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.451 3.988 3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.641 5.307 4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.756 2.330 6.613 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.873 5.309 6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.991 2.332 8.322 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.044 3.820 8.080 1.00 0.00 H new ATOM 279 N PHE A 24 -6.195 6.084 2.506 1.00 0.00 N ATOM 280 CA PHE A 24 -6.810 6.452 1.236 1.00 0.00 C ATOM 281 C PHE A 24 -5.814 6.309 0.088 1.00 0.00 C ATOM 282 O PHE A 24 -4.812 7.023 0.028 1.00 0.00 O ATOM 283 CB PHE A 24 -7.334 7.888 1.296 1.00 0.00 C ATOM 284 CG PHE A 24 -7.802 8.411 -0.032 1.00 0.00 C ATOM 285 CD1 PHE A 24 -6.909 8.995 -0.915 1.00 0.00 C ATOM 286 CD2 PHE A 24 -9.136 8.319 -0.396 1.00 0.00 C ATOM 287 CE1 PHE A 24 -7.337 9.478 -2.137 1.00 0.00 C ATOM 288 CE2 PHE A 24 -9.570 8.800 -1.617 1.00 0.00 C ATOM 289 CZ PHE A 24 -8.669 9.379 -2.489 1.00 0.00 C ATOM 0 H PHE A 24 -5.338 6.593 2.723 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.645 5.775 1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.158 7.936 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.546 8.538 1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.866 9.074 -0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.844 7.866 0.282 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.631 9.932 -2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.612 8.723 -1.889 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.005 9.754 -3.444 1.00 0.00 H new ATOM 299 N CYS A 25 -6.097 5.382 -0.821 1.00 0.00 N ATOM 300 CA CYS A 25 -5.228 5.144 -1.966 1.00 0.00 C ATOM 301 C CYS A 25 -5.408 6.231 -3.022 1.00 0.00 C ATOM 302 O CYS A 25 -6.450 6.884 -3.086 1.00 0.00 O ATOM 303 CB CYS A 25 -5.519 3.772 -2.577 1.00 0.00 C ATOM 304 SG CYS A 25 -4.464 3.352 -4.002 1.00 0.00 S ATOM 0 H CYS A 25 -6.922 4.783 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.196 5.168 -1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.393 3.010 -1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.563 3.740 -2.889 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.248 2.070 -4.019 1.00 0.00 H new ATOM 309 N THR A 26 -4.384 6.421 -3.849 1.00 0.00 N ATOM 310 CA THR A 26 -4.428 7.429 -4.900 1.00 0.00 C ATOM 311 C THR A 26 -4.793 6.807 -6.243 1.00 0.00 C ATOM 312 O THR A 26 -5.443 7.439 -7.077 1.00 0.00 O ATOM 313 CB THR A 26 -3.079 8.160 -5.035 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.039 7.219 -5.325 1.00 0.00 O ATOM 315 CG2 THR A 26 -2.743 8.916 -3.758 1.00 0.00 C ATOM 0 H THR A 26 -3.514 5.889 -3.811 1.00 0.00 H new ATOM 0 HA THR A 26 -5.195 8.149 -4.615 1.00 0.00 H new ATOM 0 HB THR A 26 -3.159 8.876 -5.853 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.185 7.692 -5.411 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.786 9.424 -3.877 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.522 9.651 -3.555 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.680 8.215 -2.926 1.00 0.00 H new ATOM 323 N THR A 27 -4.370 5.563 -6.448 1.00 0.00 N ATOM 324 CA THR A 27 -4.651 4.856 -7.691 1.00 0.00 C ATOM 325 C THR A 27 -6.117 4.445 -7.770 1.00 0.00 C ATOM 326 O THR A 27 -6.870 4.951 -8.603 1.00 0.00 O ATOM 327 CB THR A 27 -3.770 3.600 -7.834 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.387 3.968 -7.812 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.083 2.864 -9.129 1.00 0.00 C ATOM 0 H THR A 27 -3.832 5.025 -5.769 1.00 0.00 H new ATOM 0 HA THR A 27 -4.425 5.545 -8.505 1.00 0.00 H new ATOM 0 HB THR A 27 -3.983 2.936 -6.996 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.839 3.194 -8.060 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.449 1.981 -9.208 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.130 2.560 -9.131 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.895 3.523 -9.977 1.00 0.00 H new ATOM 337 N CYS A 28 -6.518 3.526 -6.898 1.00 0.00 N ATOM 338 CA CYS A 28 -7.894 3.047 -6.868 1.00 0.00 C ATOM 339 C CYS A 28 -8.774 3.973 -6.034 1.00 0.00 C ATOM 340 O CYS A 28 -9.872 4.343 -6.448 1.00 0.00 O ATOM 341 CB CYS A 28 -7.950 1.626 -6.303 1.00 0.00 C ATOM 342 SG CYS A 28 -7.572 1.519 -4.524 1.00 0.00 S ATOM 0 H CYS A 28 -5.908 3.098 -6.202 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.272 3.039 -7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.945 1.216 -6.478 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.246 1.000 -6.852 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.397 2.027 -4.299 1.00 0.00 H new ATOM 347 N GLY A 29 -8.284 4.344 -4.855 1.00 0.00 N ATOM 348 CA GLY A 29 -9.038 5.223 -3.981 1.00 0.00 C ATOM 349 C GLY A 29 -9.933 4.461 -3.024 1.00 0.00 C ATOM 350 O GLY A 29 -11.090 4.829 -2.823 1.00 0.00 O ATOM 0 H GLY A 29 -7.378 4.051 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.347 5.844 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.647 5.896 -4.585 1.00 0.00 H new ATOM 354 N GLN A 30 -9.398 3.397 -2.435 1.00 0.00 N ATOM 355 CA GLN A 30 -10.158 2.581 -1.497 1.00 0.00 C ATOM 356 C GLN A 30 -9.830 2.959 -0.056 1.00 0.00 C ATOM 357 O GLN A 30 -9.000 3.833 0.194 1.00 0.00 O ATOM 358 CB GLN A 30 -9.866 1.097 -1.726 1.00 0.00 C ATOM 359 CG GLN A 30 -10.396 0.570 -3.050 1.00 0.00 C ATOM 360 CD GLN A 30 -11.872 0.225 -2.992 1.00 0.00 C ATOM 361 OE1 GLN A 30 -12.693 0.849 -3.664 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.215 -0.773 -2.186 1.00 0.00 N ATOM 0 H GLN A 30 -8.441 3.080 -2.591 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.218 2.767 -1.670 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.789 0.937 -1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.305 0.519 -0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.232 1.317 -3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.830 -0.317 -3.336 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.500 -1.262 -1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.193 -1.050 -2.105 1.00 0.00 H new ATOM 371 N HIS A 31 -10.487 2.294 0.889 1.00 0.00 N ATOM 372 CA HIS A 31 -10.265 2.561 2.306 1.00 0.00 C ATOM 373 C HIS A 31 -9.832 1.293 3.036 1.00 0.00 C ATOM 374 O HIS A 31 -10.325 0.201 2.750 1.00 0.00 O ATOM 375 CB HIS A 31 -11.535 3.123 2.946 1.00 0.00 C ATOM 376 CG HIS A 31 -12.087 4.318 2.231 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.272 5.541 2.841 1.00 0.00 N ATOM 378 CD2 HIS A 31 -12.495 4.472 0.950 1.00 0.00 C ATOM 379 CE1 HIS A 31 -12.771 6.395 1.966 1.00 0.00 C ATOM 380 NE2 HIS A 31 -12.915 5.772 0.810 1.00 0.00 N ATOM 0 H HIS A 31 -11.177 1.567 0.700 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.467 3.299 2.391 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.295 2.342 2.972 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.322 3.395 3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.491 3.714 0.181 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.019 7.428 2.162 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.279 6.189 -0.047 1.00 0.00 H new ATOM 389 N TYR A 32 -8.908 1.445 3.978 1.00 0.00 N ATOM 390 CA TYR A 32 -8.406 0.312 4.746 1.00 0.00 C ATOM 391 C TYR A 32 -8.055 0.732 6.170 1.00 0.00 C ATOM 392 O TYR A 32 -7.582 1.846 6.403 1.00 0.00 O ATOM 393 CB TYR A 32 -7.177 -0.290 4.063 1.00 0.00 C ATOM 394 CG TYR A 32 -7.455 -0.819 2.674 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.902 -2.120 2.481 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.271 -0.017 1.554 1.00 0.00 C ATOM 397 CE1 TYR A 32 -8.157 -2.607 1.213 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.524 -0.495 0.283 1.00 0.00 C ATOM 399 CZ TYR A 32 -7.967 -1.791 0.118 1.00 0.00 C ATOM 400 OH TYR A 32 -8.219 -2.271 -1.147 1.00 0.00 O ATOM 0 H TYR A 32 -8.491 2.342 4.228 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.193 -0.440 4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.396 0.468 4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.789 -1.100 4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.053 -2.762 3.336 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.924 0.998 1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.503 -3.621 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.376 0.142 -0.576 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.375 -2.364 -1.636 1.00 0.00 H new ATOM 410 N HIS A 33 -8.288 -0.167 7.120 1.00 0.00 N ATOM 411 CA HIS A 33 -7.996 0.108 8.523 1.00 0.00 C ATOM 412 C HIS A 33 -6.515 -0.109 8.822 1.00 0.00 C ATOM 413 O HIS A 33 -5.809 -0.773 8.064 1.00 0.00 O ATOM 414 CB HIS A 33 -8.847 -0.783 9.428 1.00 0.00 C ATOM 415 CG HIS A 33 -10.268 -0.328 9.552 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.337 -1.198 9.584 1.00 0.00 N ATOM 417 CD2 HIS A 33 -10.793 0.915 9.654 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.459 -0.510 9.699 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.156 0.775 9.744 1.00 0.00 N ATOM 0 H HIS A 33 -8.678 -1.093 6.944 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.240 1.152 8.721 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.833 -1.801 9.039 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.397 -0.815 10.420 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.243 1.844 9.663 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.454 -0.927 9.748 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.826 1.539 9.831 1.00 0.00 H new ATOM 427 N GLY A 34 -6.051 0.457 9.932 1.00 0.00 N ATOM 428 CA GLY A 34 -4.658 0.314 10.311 1.00 0.00 C ATOM 429 C GLY A 34 -4.352 -1.050 10.895 1.00 0.00 C ATOM 430 O GLY A 34 -3.229 -1.542 10.788 1.00 0.00 O ATOM 0 H GLY A 34 -6.615 1.012 10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.028 0.481 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.402 1.083 11.040 1.00 0.00 H new ATOM 434 N MET A 35 -5.354 -1.663 11.517 1.00 0.00 N ATOM 435 CA MET A 35 -5.186 -2.980 12.122 1.00 0.00 C ATOM 436 C MET A 35 -5.467 -4.084 11.108 1.00 0.00 C ATOM 437 O MET A 35 -4.720 -5.057 11.011 1.00 0.00 O ATOM 438 CB MET A 35 -6.113 -3.132 13.329 1.00 0.00 C ATOM 439 CG MET A 35 -5.879 -4.410 14.118 1.00 0.00 C ATOM 440 SD MET A 35 -7.270 -4.834 15.184 1.00 0.00 S ATOM 441 CE MET A 35 -7.675 -6.470 14.578 1.00 0.00 C ATOM 0 H MET A 35 -6.290 -1.270 11.615 1.00 0.00 H new ATOM 0 HA MET A 35 -4.152 -3.071 12.454 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.978 -2.276 13.991 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.148 -3.110 12.987 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.694 -5.231 13.425 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.981 -4.298 14.726 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.520 -6.868 15.141 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.937 -6.412 13.522 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.815 -7.127 14.703 1.00 0.00 H new ATOM 451 N CYS A 36 -6.550 -3.927 10.354 1.00 0.00 N ATOM 452 CA CYS A 36 -6.931 -4.910 9.347 1.00 0.00 C ATOM 453 C CYS A 36 -5.749 -5.252 8.446 1.00 0.00 C ATOM 454 O CYS A 36 -5.555 -6.408 8.069 1.00 0.00 O ATOM 455 CB CYS A 36 -8.094 -4.383 8.504 1.00 0.00 C ATOM 456 SG CYS A 36 -9.721 -4.521 9.312 1.00 0.00 S ATOM 0 H CYS A 36 -7.180 -3.127 10.422 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.246 -5.817 9.862 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.908 -3.337 8.262 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.121 -4.928 7.561 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.246 -3.338 9.435 1.00 0.00 H new ATOM 461 N LEU A 37 -4.961 -4.238 8.103 1.00 0.00 N ATOM 462 CA LEU A 37 -3.796 -4.431 7.246 1.00 0.00 C ATOM 463 C LEU A 37 -2.512 -4.458 8.070 1.00 0.00 C ATOM 464 O LEU A 37 -1.410 -4.448 7.521 1.00 0.00 O ATOM 465 CB LEU A 37 -3.720 -3.318 6.199 1.00 0.00 C ATOM 466 CG LEU A 37 -4.618 -3.488 4.973 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.610 -2.224 4.127 1.00 0.00 C ATOM 468 CD2 LEU A 37 -4.174 -4.687 4.148 1.00 0.00 C ATOM 0 H LEU A 37 -5.108 -3.275 8.405 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.902 -5.391 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.973 -2.374 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.687 -3.236 5.860 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.638 -3.666 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.254 -2.363 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.977 -1.387 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.593 -2.015 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.825 -4.792 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.146 -4.540 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.233 -5.589 4.757 1.00 0.00 H new ATOM 480 N ASP A 38 -2.663 -4.494 9.389 1.00 0.00 N ATOM 481 CA ASP A 38 -1.516 -4.527 10.289 1.00 0.00 C ATOM 482 C ASP A 38 -0.548 -3.389 9.978 1.00 0.00 C ATOM 483 O ASP A 38 0.669 -3.555 10.063 1.00 0.00 O ATOM 484 CB ASP A 38 -0.794 -5.871 10.181 1.00 0.00 C ATOM 485 CG ASP A 38 -1.557 -6.994 10.855 1.00 0.00 C ATOM 486 OD1 ASP A 38 -2.231 -6.727 11.872 1.00 0.00 O ATOM 487 OD2 ASP A 38 -1.481 -8.140 10.365 1.00 0.00 O ATOM 0 H ASP A 38 -3.568 -4.501 9.859 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.882 -4.401 11.308 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.645 -6.117 9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.195 -5.786 10.631 1.00 0.00 H new ATOM 492 N ILE A 39 -1.098 -2.235 9.615 1.00 0.00 N ATOM 493 CA ILE A 39 -0.283 -1.070 9.291 1.00 0.00 C ATOM 494 C ILE A 39 -0.244 -0.086 10.455 1.00 0.00 C ATOM 495 O ILE A 39 -1.218 0.058 11.193 1.00 0.00 O ATOM 496 CB ILE A 39 -0.810 -0.346 8.038 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.776 -1.282 6.829 1.00 0.00 C ATOM 498 CG2 ILE A 39 0.008 0.908 7.768 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.366 -0.673 5.576 1.00 0.00 C ATOM 0 H ILE A 39 -2.103 -2.082 9.538 1.00 0.00 H new ATOM 0 HA ILE A 39 0.725 -1.434 9.093 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.844 -0.050 8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.257 -1.570 6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.321 -2.195 7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.376 1.409 6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.064 1.580 8.623 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.051 0.635 7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.308 -1.393 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.409 -0.410 5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.807 0.224 5.309 1.00 0.00 H new ATOM 511 N ALA A 40 0.889 0.591 10.613 1.00 0.00 N ATOM 512 CA ALA A 40 1.055 1.565 11.684 1.00 0.00 C ATOM 513 C ALA A 40 0.808 2.983 11.180 1.00 0.00 C ATOM 514 O ALA A 40 1.694 3.607 10.596 1.00 0.00 O ATOM 515 CB ALA A 40 2.446 1.452 12.290 1.00 0.00 C ATOM 0 H ALA A 40 1.706 0.482 10.012 1.00 0.00 H new ATOM 0 HA ALA A 40 0.316 1.349 12.456 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.556 2.186 13.089 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.586 0.450 12.696 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.195 1.639 11.520 1.00 0.00 H new ATOM 521 N VAL A 41 -0.400 3.486 11.409 1.00 0.00 N ATOM 522 CA VAL A 41 -0.763 4.831 10.978 1.00 0.00 C ATOM 523 C VAL A 41 0.307 5.842 11.374 1.00 0.00 C ATOM 524 O VAL A 41 0.649 5.973 12.550 1.00 0.00 O ATOM 525 CB VAL A 41 -2.113 5.267 11.578 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.461 6.681 11.137 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.211 4.292 11.182 1.00 0.00 C ATOM 0 H VAL A 41 -1.145 2.982 11.891 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.849 4.803 9.892 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.027 5.261 12.665 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.418 6.972 11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.685 7.369 11.474 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.529 6.717 10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.158 4.615 11.614 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.299 4.264 10.096 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.964 3.297 11.551 1.00 0.00 H new ATOM 537 N THR A 42 0.833 6.557 10.385 1.00 0.00 N ATOM 538 CA THR A 42 1.866 7.556 10.629 1.00 0.00 C ATOM 539 C THR A 42 1.638 8.801 9.779 1.00 0.00 C ATOM 540 O THR A 42 1.008 8.754 8.722 1.00 0.00 O ATOM 541 CB THR A 42 3.270 6.997 10.334 1.00 0.00 C ATOM 542 OG1 THR A 42 3.299 6.407 9.030 1.00 0.00 O ATOM 543 CG2 THR A 42 3.669 5.961 11.374 1.00 0.00 C ATOM 0 H THR A 42 0.560 6.463 9.407 1.00 0.00 H new ATOM 0 HA THR A 42 1.804 7.823 11.684 1.00 0.00 H new ATOM 0 HB THR A 42 3.981 7.822 10.374 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.225 6.200 8.785 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.664 5.580 11.145 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.675 6.421 12.362 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.954 5.138 11.361 1.00 0.00 H new ATOM 551 N PRO A 43 2.161 9.943 10.249 1.00 0.00 N ATOM 552 CA PRO A 43 2.028 11.223 9.545 1.00 0.00 C ATOM 553 C PRO A 43 2.844 11.264 8.258 1.00 0.00 C ATOM 554 O PRO A 43 2.990 12.317 7.636 1.00 0.00 O ATOM 555 CB PRO A 43 2.570 12.239 10.554 1.00 0.00 C ATOM 556 CG PRO A 43 3.501 11.459 11.416 1.00 0.00 C ATOM 557 CD PRO A 43 2.923 10.073 11.502 1.00 0.00 C ATOM 0 HA PRO A 43 1.000 11.414 9.236 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.087 13.057 10.053 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.765 12.682 11.141 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.503 11.438 10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.586 11.909 12.405 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.704 9.316 11.578 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.282 9.958 12.376 1.00 0.00 H new ATOM 565 N LEU A 44 3.374 10.112 7.862 1.00 0.00 N ATOM 566 CA LEU A 44 4.175 10.016 6.646 1.00 0.00 C ATOM 567 C LEU A 44 3.367 9.401 5.508 1.00 0.00 C ATOM 568 O LEU A 44 3.357 9.916 4.390 1.00 0.00 O ATOM 569 CB LEU A 44 5.431 9.181 6.904 1.00 0.00 C ATOM 570 CG LEU A 44 6.575 9.363 5.906 1.00 0.00 C ATOM 571 CD1 LEU A 44 6.095 9.092 4.489 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.159 10.764 6.014 1.00 0.00 C ATOM 0 H LEU A 44 3.264 9.231 8.365 1.00 0.00 H new ATOM 0 HA LEU A 44 4.469 11.024 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.803 9.420 7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.148 8.129 6.913 1.00 0.00 H new ATOM 0 HG LEU A 44 7.359 8.645 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.923 9.226 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.725 8.069 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.293 9.786 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.972 10.876 5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.383 11.499 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.541 10.922 7.023 1.00 0.00 H new ATOM 584 N LYS A 45 2.688 8.297 5.801 1.00 0.00 N ATOM 585 CA LYS A 45 1.873 7.613 4.804 1.00 0.00 C ATOM 586 C LYS A 45 0.637 8.436 4.453 1.00 0.00 C ATOM 587 O LYS A 45 0.370 8.703 3.282 1.00 0.00 O ATOM 588 CB LYS A 45 1.451 6.235 5.319 1.00 0.00 C ATOM 589 CG LYS A 45 2.512 5.164 5.131 1.00 0.00 C ATOM 590 CD LYS A 45 2.182 3.907 5.918 1.00 0.00 C ATOM 591 CE LYS A 45 2.668 4.006 7.356 1.00 0.00 C ATOM 592 NZ LYS A 45 1.601 4.500 8.269 1.00 0.00 N ATOM 0 H LYS A 45 2.686 7.857 6.721 1.00 0.00 H new ATOM 0 HA LYS A 45 2.474 7.490 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.208 6.311 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.541 5.927 4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.599 4.919 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.480 5.550 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.105 3.742 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.641 3.044 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.009 3.027 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.526 4.676 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.876 5.425 8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.710 4.596 7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.471 3.824 9.048 1.00 0.00 H new ATOM 606 N ARG A 46 -0.111 8.836 5.476 1.00 0.00 N ATOM 607 CA ARG A 46 -1.318 9.629 5.275 1.00 0.00 C ATOM 608 C ARG A 46 -1.191 10.508 4.034 1.00 0.00 C ATOM 609 O ARG A 46 -2.144 10.665 3.272 1.00 0.00 O ATOM 610 CB ARG A 46 -1.593 10.498 6.503 1.00 0.00 C ATOM 611 CG ARG A 46 -1.998 9.704 7.734 1.00 0.00 C ATOM 612 CD ARG A 46 -1.814 10.516 9.006 1.00 0.00 C ATOM 613 NE ARG A 46 -2.584 9.969 10.120 1.00 0.00 N ATOM 614 CZ ARG A 46 -3.840 10.311 10.384 1.00 0.00 C ATOM 615 NH1 ARG A 46 -4.465 11.194 9.618 1.00 0.00 N ATOM 616 NH2 ARG A 46 -4.474 9.769 11.416 1.00 0.00 N ATOM 0 H ARG A 46 0.097 8.624 6.452 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.153 8.944 5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.700 11.079 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.383 11.210 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.040 9.398 7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.402 8.793 7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.757 10.539 9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.119 11.547 8.826 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.132 9.287 10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.981 11.613 8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.430 11.455 9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.997 9.089 12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.439 10.033 11.618 1.00 0.00 H new ATOM 630 N ALA A 47 -0.007 11.079 3.839 1.00 0.00 N ATOM 631 CA ALA A 47 0.246 11.941 2.691 1.00 0.00 C ATOM 632 C ALA A 47 0.443 11.120 1.421 1.00 0.00 C ATOM 633 O ALA A 47 1.533 10.612 1.162 1.00 0.00 O ATOM 634 CB ALA A 47 1.461 12.820 2.948 1.00 0.00 C ATOM 0 H ALA A 47 0.792 10.960 4.461 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.626 12.579 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.638 13.458 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.282 13.441 3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.335 12.192 3.120 1.00 0.00 H new ATOM 640 N GLY A 48 -0.620 10.993 0.632 1.00 0.00 N ATOM 641 CA GLY A 48 -0.542 10.232 -0.600 1.00 0.00 C ATOM 642 C GLY A 48 -0.180 8.779 -0.363 1.00 0.00 C ATOM 643 O GLY A 48 0.766 8.263 -0.957 1.00 0.00 O ATOM 0 H GLY A 48 -1.533 11.404 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.500 10.285 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.200 10.685 -1.257 1.00 0.00 H new ATOM 647 N TRP A 49 -0.933 8.119 0.509 1.00 0.00 N ATOM 648 CA TRP A 49 -0.685 6.717 0.825 1.00 0.00 C ATOM 649 C TRP A 49 -1.077 5.818 -0.342 1.00 0.00 C ATOM 650 O TRP A 49 -1.862 6.213 -1.204 1.00 0.00 O ATOM 651 CB TRP A 49 -1.460 6.311 2.080 1.00 0.00 C ATOM 652 CG TRP A 49 -1.479 4.830 2.314 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.536 4.093 2.972 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.488 3.908 1.888 1.00 0.00 C ATOM 655 NE1 TRP A 49 -0.899 2.768 2.982 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.092 2.628 2.324 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.687 4.039 1.183 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -2.855 1.490 2.076 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.442 2.908 0.938 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.024 1.647 1.384 1.00 0.00 C ATOM 0 H TRP A 49 -1.720 8.532 1.010 1.00 0.00 H new ATOM 0 HA TRP A 49 0.382 6.596 1.010 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.018 6.803 2.946 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.485 6.672 1.998 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.362 4.493 3.419 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.366 2.011 3.410 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.018 5.007 0.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.535 0.517 2.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.370 2.997 0.393 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.637 0.782 1.177 1.00 0.00 H new ATOM 671 N GLN A 50 -0.526 4.609 -0.364 1.00 0.00 N ATOM 672 CA GLN A 50 -0.819 3.655 -1.427 1.00 0.00 C ATOM 673 C GLN A 50 -1.253 2.312 -0.849 1.00 0.00 C ATOM 674 O GLN A 50 -0.711 1.852 0.156 1.00 0.00 O ATOM 675 CB GLN A 50 0.406 3.466 -2.324 1.00 0.00 C ATOM 676 CG GLN A 50 0.497 4.482 -3.450 1.00 0.00 C ATOM 677 CD GLN A 50 1.208 3.936 -4.673 1.00 0.00 C ATOM 678 OE1 GLN A 50 2.400 4.172 -4.869 1.00 0.00 O ATOM 679 NE2 GLN A 50 0.477 3.201 -5.503 1.00 0.00 N ATOM 0 H GLN A 50 0.126 4.267 0.342 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.639 4.055 -2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.307 3.531 -1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.382 2.464 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.508 4.799 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.023 5.367 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.508 3.031 -5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.901 2.806 -6.343 1.00 0.00 H new ATOM 688 N CYS A 51 -2.234 1.686 -1.491 1.00 0.00 N ATOM 689 CA CYS A 51 -2.742 0.396 -1.041 1.00 0.00 C ATOM 690 C CYS A 51 -1.935 -0.748 -1.649 1.00 0.00 C ATOM 691 O CYS A 51 -1.290 -0.603 -2.687 1.00 0.00 O ATOM 692 CB CYS A 51 -4.218 0.247 -1.414 1.00 0.00 C ATOM 693 SG CYS A 51 -4.500 -0.335 -3.117 1.00 0.00 S ATOM 0 H CYS A 51 -2.693 2.052 -2.325 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.642 0.353 0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.688 -0.450 -0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.714 1.209 -1.284 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.534 0.274 -3.618 1.00 0.00 H new ATOM 698 N PRO A 52 -1.971 -1.915 -0.987 1.00 0.00 N ATOM 699 CA PRO A 52 -1.250 -3.106 -1.444 1.00 0.00 C ATOM 700 C PRO A 52 -1.851 -3.696 -2.715 1.00 0.00 C ATOM 701 O PRO A 52 -1.337 -4.673 -3.259 1.00 0.00 O ATOM 702 CB PRO A 52 -1.405 -4.083 -0.276 1.00 0.00 C ATOM 703 CG PRO A 52 -2.652 -3.653 0.415 1.00 0.00 C ATOM 704 CD PRO A 52 -2.720 -2.160 0.257 1.00 0.00 C ATOM 0 HA PRO A 52 -0.214 -2.883 -1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.482 -5.112 -0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.546 -4.039 0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.527 -4.132 -0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.631 -3.933 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.750 -1.810 0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.270 -1.645 1.106 1.00 0.00 H new ATOM 712 N GLU A 53 -2.942 -3.097 -3.182 1.00 0.00 N ATOM 713 CA GLU A 53 -3.612 -3.565 -4.389 1.00 0.00 C ATOM 714 C GLU A 53 -3.183 -2.744 -5.603 1.00 0.00 C ATOM 715 O GLU A 53 -3.357 -3.168 -6.746 1.00 0.00 O ATOM 716 CB GLU A 53 -5.131 -3.487 -4.219 1.00 0.00 C ATOM 717 CG GLU A 53 -5.636 -4.159 -2.953 1.00 0.00 C ATOM 718 CD GLU A 53 -7.118 -4.476 -3.013 1.00 0.00 C ATOM 719 OE1 GLU A 53 -7.918 -3.538 -3.215 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.477 -5.662 -2.858 1.00 0.00 O ATOM 0 H GLU A 53 -3.380 -2.287 -2.743 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.324 -4.603 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.434 -2.440 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.609 -3.950 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.077 -5.080 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.441 -3.510 -2.099 1.00 0.00 H new ATOM 727 N CYS A 54 -2.621 -1.568 -5.345 1.00 0.00 N ATOM 728 CA CYS A 54 -2.167 -0.687 -6.414 1.00 0.00 C ATOM 729 C CYS A 54 -0.664 -0.445 -6.318 1.00 0.00 C ATOM 730 O CYS A 54 0.047 -0.477 -7.323 1.00 0.00 O ATOM 731 CB CYS A 54 -2.915 0.647 -6.355 1.00 0.00 C ATOM 732 SG CYS A 54 -4.712 0.504 -6.611 1.00 0.00 S ATOM 0 H CYS A 54 -2.469 -1.203 -4.405 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.378 -1.173 -7.367 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.733 1.111 -5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.503 1.316 -7.111 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.337 1.006 -5.588 1.00 0.00 H new ATOM 737 N LYS A 55 -0.186 -0.203 -5.102 1.00 0.00 N ATOM 738 CA LYS A 55 1.233 0.043 -4.872 1.00 0.00 C ATOM 739 C LYS A 55 2.087 -0.705 -5.891 1.00 0.00 C ATOM 740 O LYS A 55 1.767 -1.829 -6.278 1.00 0.00 O ATOM 741 CB LYS A 55 1.622 -0.381 -3.455 1.00 0.00 C ATOM 742 CG LYS A 55 1.789 -1.882 -3.293 1.00 0.00 C ATOM 743 CD LYS A 55 2.095 -2.257 -1.853 1.00 0.00 C ATOM 744 CE LYS A 55 3.570 -2.074 -1.530 1.00 0.00 C ATOM 745 NZ LYS A 55 4.411 -3.128 -2.161 1.00 0.00 N ATOM 0 H LYS A 55 -0.761 -0.172 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 55 1.414 1.112 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.555 0.112 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.860 -0.031 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.879 -2.387 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.594 -2.231 -3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.496 -1.643 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.809 -3.294 -1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.898 -1.093 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.711 -2.096 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.394 -3.029 -1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.051 -4.066 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.377 -3.026 -3.195 1.00 0.00 H new ATOM 759 N VAL A 56 3.176 -0.075 -6.321 1.00 0.00 N ATOM 760 CA VAL A 56 4.077 -0.683 -7.293 1.00 0.00 C ATOM 761 C VAL A 56 5.520 -0.260 -7.042 1.00 0.00 C ATOM 762 O VAL A 56 5.795 0.565 -6.171 1.00 0.00 O ATOM 763 CB VAL A 56 3.686 -0.305 -8.734 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.257 -0.735 -9.029 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.860 1.189 -8.959 1.00 0.00 C ATOM 0 H VAL A 56 3.455 0.856 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 56 3.991 -1.763 -7.173 1.00 0.00 H new ATOM 0 HB VAL A 56 4.348 -0.831 -9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.998 -0.460 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.170 -1.815 -8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.577 -0.239 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.579 1.438 -9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.224 1.738 -8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.902 1.463 -8.792 1.00 0.00 H new ATOM 775 N CYS A 57 6.440 -0.832 -7.812 1.00 0.00 N ATOM 776 CA CYS A 57 7.857 -0.515 -7.675 1.00 0.00 C ATOM 777 C CYS A 57 8.157 0.881 -8.212 1.00 0.00 C ATOM 778 O CYS A 57 7.498 1.356 -9.137 1.00 0.00 O ATOM 779 CB CYS A 57 8.706 -1.551 -8.415 1.00 0.00 C ATOM 780 SG CYS A 57 10.497 -1.392 -8.121 1.00 0.00 S ATOM 0 H CYS A 57 6.230 -1.518 -8.537 1.00 0.00 H new ATOM 0 HA CYS A 57 8.108 -0.539 -6.615 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.386 -2.549 -8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.515 -1.464 -9.485 1.00 0.00 H new ATOM 0 HG CYS A 57 11.101 -2.469 -8.527 1.00 0.00 H new ATOM 785 N GLN A 58 9.155 1.533 -7.624 1.00 0.00 N ATOM 786 CA GLN A 58 9.541 2.875 -8.043 1.00 0.00 C ATOM 787 C GLN A 58 10.889 2.856 -8.757 1.00 0.00 C ATOM 788 O GLN A 58 11.292 3.843 -9.370 1.00 0.00 O ATOM 789 CB GLN A 58 9.605 3.811 -6.835 1.00 0.00 C ATOM 790 CG GLN A 58 8.275 3.964 -6.114 1.00 0.00 C ATOM 791 CD GLN A 58 7.348 4.947 -6.802 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.387 6.148 -6.533 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.507 4.441 -7.697 1.00 0.00 N ATOM 0 H GLN A 58 9.710 1.154 -6.857 1.00 0.00 H new ATOM 0 HA GLN A 58 8.786 3.242 -8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.349 3.434 -6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.946 4.793 -7.164 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.786 2.992 -6.052 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.456 4.296 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.509 3.439 -7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.860 5.054 -8.192 1.00 0.00 H new ATOM 802 N ASN A 59 11.582 1.725 -8.672 1.00 0.00 N ATOM 803 CA ASN A 59 12.885 1.577 -9.309 1.00 0.00 C ATOM 804 C ASN A 59 12.734 1.145 -10.764 1.00 0.00 C ATOM 805 O ASN A 59 13.536 1.518 -11.621 1.00 0.00 O ATOM 806 CB ASN A 59 13.736 0.558 -8.549 1.00 0.00 C ATOM 807 CG ASN A 59 15.217 0.876 -8.615 1.00 0.00 C ATOM 808 OD1 ASN A 59 15.832 0.801 -9.678 1.00 0.00 O ATOM 809 ND2 ASN A 59 15.797 1.233 -7.475 1.00 0.00 N ATOM 0 H ASN A 59 11.263 0.898 -8.168 1.00 0.00 H new ATOM 0 HA ASN A 59 13.384 2.546 -9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.419 0.530 -7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.562 -0.436 -8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.792 1.458 -7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.248 1.282 -6.617 1.00 0.00 H new ATOM 816 N CYS A 60 11.699 0.357 -11.037 1.00 0.00 N ATOM 817 CA CYS A 60 11.440 -0.126 -12.388 1.00 0.00 C ATOM 818 C CYS A 60 10.046 0.283 -12.854 1.00 0.00 C ATOM 819 O CYS A 60 9.771 0.337 -14.053 1.00 0.00 O ATOM 820 CB CYS A 60 11.583 -1.648 -12.443 1.00 0.00 C ATOM 821 SG CYS A 60 10.263 -2.551 -11.571 1.00 0.00 S ATOM 0 H CYS A 60 11.026 0.039 -10.340 1.00 0.00 H new ATOM 0 HA CYS A 60 12.173 0.326 -13.056 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.596 -1.963 -13.486 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.545 -1.928 -12.013 1.00 0.00 H new ATOM 0 HG CYS A 60 10.326 -2.291 -10.299 1.00 0.00 H new ATOM 826 N LYS A 61 9.169 0.570 -11.898 1.00 0.00 N ATOM 827 CA LYS A 61 7.803 0.975 -12.209 1.00 0.00 C ATOM 828 C LYS A 61 7.053 -0.143 -12.925 1.00 0.00 C ATOM 829 O LYS A 61 6.513 0.058 -14.012 1.00 0.00 O ATOM 830 CB LYS A 61 7.809 2.237 -13.075 1.00 0.00 C ATOM 831 CG LYS A 61 8.251 3.484 -12.330 1.00 0.00 C ATOM 832 CD LYS A 61 7.117 4.077 -11.511 1.00 0.00 C ATOM 833 CE LYS A 61 7.480 5.451 -10.969 1.00 0.00 C ATOM 834 NZ LYS A 61 7.349 6.509 -12.009 1.00 0.00 N ATOM 0 H LYS A 61 9.380 0.530 -10.901 1.00 0.00 H new ATOM 0 HA LYS A 61 7.291 1.188 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.470 2.080 -13.927 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.808 2.398 -13.474 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.086 3.240 -11.673 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.612 4.225 -13.043 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.222 4.153 -12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.877 3.410 -10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.835 5.690 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.503 5.435 -10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.605 7.431 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.984 6.294 -12.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.367 6.542 -12.349 1.00 0.00 H new ATOM 848 N GLN A 62 7.025 -1.320 -12.308 1.00 0.00 N ATOM 849 CA GLN A 62 6.340 -2.469 -12.888 1.00 0.00 C ATOM 850 C GLN A 62 5.751 -3.359 -11.798 1.00 0.00 C ATOM 851 O GLN A 62 6.445 -3.750 -10.860 1.00 0.00 O ATOM 852 CB GLN A 62 7.303 -3.278 -13.758 1.00 0.00 C ATOM 853 CG GLN A 62 7.912 -4.473 -13.042 1.00 0.00 C ATOM 854 CD GLN A 62 9.029 -5.122 -13.837 1.00 0.00 C ATOM 855 OE1 GLN A 62 9.057 -5.047 -15.065 1.00 0.00 O ATOM 856 NE2 GLN A 62 9.958 -5.764 -13.137 1.00 0.00 N ATOM 0 H GLN A 62 7.468 -1.503 -11.408 1.00 0.00 H new ATOM 0 HA GLN A 62 5.525 -2.098 -13.509 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.773 -3.627 -14.644 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.104 -2.625 -14.103 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.298 -4.154 -12.074 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.134 -5.211 -12.847 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.895 -5.801 -12.120 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.734 -6.220 -13.617 1.00 0.00 H new ATOM 865 N SER A 63 4.467 -3.675 -11.929 1.00 0.00 N ATOM 866 CA SER A 63 3.783 -4.516 -10.952 1.00 0.00 C ATOM 867 C SER A 63 3.706 -5.960 -11.438 1.00 0.00 C ATOM 868 O SER A 63 3.207 -6.234 -12.529 1.00 0.00 O ATOM 869 CB SER A 63 2.376 -3.980 -10.683 1.00 0.00 C ATOM 870 OG SER A 63 1.549 -4.121 -11.826 1.00 0.00 O ATOM 0 H SER A 63 3.879 -3.362 -12.701 1.00 0.00 H new ATOM 0 HA SER A 63 4.356 -4.493 -10.025 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.934 -4.515 -9.842 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.432 -2.929 -10.398 1.00 0.00 H new ATOM 0 HG SER A 63 1.929 -4.799 -12.423 1.00 0.00 H new ATOM 876 N GLY A 64 4.204 -6.881 -10.619 1.00 0.00 N ATOM 877 CA GLY A 64 4.182 -8.286 -10.982 1.00 0.00 C ATOM 878 C GLY A 64 4.550 -9.190 -9.822 1.00 0.00 C ATOM 879 O GLY A 64 3.695 -9.887 -9.276 1.00 0.00 O ATOM 0 H GLY A 64 4.622 -6.679 -9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.188 -8.549 -11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.875 -8.456 -11.806 1.00 0.00 H new ATOM 883 N GLU A 65 5.825 -9.179 -9.446 1.00 0.00 N ATOM 884 CA GLU A 65 6.303 -10.007 -8.344 1.00 0.00 C ATOM 885 C GLU A 65 6.010 -9.346 -7.000 1.00 0.00 C ATOM 886 O GLU A 65 6.688 -8.399 -6.602 1.00 0.00 O ATOM 887 CB GLU A 65 7.805 -10.262 -8.483 1.00 0.00 C ATOM 888 CG GLU A 65 8.173 -11.072 -9.715 1.00 0.00 C ATOM 889 CD GLU A 65 7.674 -12.502 -9.644 1.00 0.00 C ATOM 890 OE1 GLU A 65 7.699 -13.086 -8.540 1.00 0.00 O ATOM 891 OE2 GLU A 65 7.258 -13.038 -10.693 1.00 0.00 O ATOM 0 H GLU A 65 6.545 -8.607 -9.887 1.00 0.00 H new ATOM 0 HA GLU A 65 5.775 -10.960 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.326 -9.305 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.160 -10.785 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.757 -10.590 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.257 -11.075 -9.833 1.00 0.00 H new ATOM 898 N ASP A 66 4.996 -9.852 -6.307 1.00 0.00 N ATOM 899 CA ASP A 66 4.613 -9.312 -5.008 1.00 0.00 C ATOM 900 C ASP A 66 5.498 -9.878 -3.902 1.00 0.00 C ATOM 901 O ASP A 66 6.042 -9.134 -3.086 1.00 0.00 O ATOM 902 CB ASP A 66 3.145 -9.625 -4.714 1.00 0.00 C ATOM 903 CG ASP A 66 2.901 -11.106 -4.501 1.00 0.00 C ATOM 904 OD1 ASP A 66 3.494 -11.918 -5.242 1.00 0.00 O ATOM 905 OD2 ASP A 66 2.116 -11.453 -3.594 1.00 0.00 O ATOM 0 H ASP A 66 4.424 -10.635 -6.623 1.00 0.00 H new ATOM 0 HA ASP A 66 4.747 -8.231 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.830 -9.076 -3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.529 -9.273 -5.541 1.00 0.00 H new ATOM 910 N SER A 67 5.637 -11.200 -3.880 1.00 0.00 N ATOM 911 CA SER A 67 6.452 -11.867 -2.871 1.00 0.00 C ATOM 912 C SER A 67 7.860 -11.281 -2.836 1.00 0.00 C ATOM 913 O SER A 67 8.410 -11.018 -1.766 1.00 0.00 O ATOM 914 CB SER A 67 6.520 -13.369 -3.152 1.00 0.00 C ATOM 915 OG SER A 67 7.196 -13.631 -4.369 1.00 0.00 O ATOM 0 H SER A 67 5.196 -11.830 -4.550 1.00 0.00 H new ATOM 0 HA SER A 67 5.986 -11.707 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.033 -13.872 -2.332 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.511 -13.780 -3.197 1.00 0.00 H new ATOM 0 HG SER A 67 7.227 -14.598 -4.524 1.00 0.00 H new ATOM 921 N LYS A 68 8.439 -11.078 -4.015 1.00 0.00 N ATOM 922 CA LYS A 68 9.783 -10.521 -4.122 1.00 0.00 C ATOM 923 C LYS A 68 9.749 -8.999 -4.038 1.00 0.00 C ATOM 924 O LYS A 68 10.469 -8.313 -4.763 1.00 0.00 O ATOM 925 CB LYS A 68 10.434 -10.957 -5.436 1.00 0.00 C ATOM 926 CG LYS A 68 10.472 -12.463 -5.627 1.00 0.00 C ATOM 927 CD LYS A 68 10.878 -12.836 -7.043 1.00 0.00 C ATOM 928 CE LYS A 68 11.320 -14.289 -7.131 1.00 0.00 C ATOM 929 NZ LYS A 68 10.177 -15.200 -7.416 1.00 0.00 N ATOM 0 H LYS A 68 7.999 -11.291 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 68 10.374 -10.899 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.891 -10.508 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.452 -10.569 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.174 -12.903 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.491 -12.883 -5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.040 -12.668 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.689 -12.187 -7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.071 -14.393 -7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.793 -14.582 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.519 -16.181 -7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.471 -15.120 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.741 -14.937 -8.323 1.00 0.00 H new ATOM 943 N MET A 69 8.910 -8.478 -3.149 1.00 0.00 N ATOM 944 CA MET A 69 8.786 -7.036 -2.970 1.00 0.00 C ATOM 945 C MET A 69 8.818 -6.667 -1.490 1.00 0.00 C ATOM 946 O MET A 69 8.228 -7.355 -0.656 1.00 0.00 O ATOM 947 CB MET A 69 7.489 -6.531 -3.605 1.00 0.00 C ATOM 948 CG MET A 69 7.328 -5.021 -3.540 1.00 0.00 C ATOM 949 SD MET A 69 7.934 -4.193 -5.023 1.00 0.00 S ATOM 950 CE MET A 69 6.411 -3.519 -5.681 1.00 0.00 C ATOM 0 H MET A 69 8.306 -9.032 -2.542 1.00 0.00 H new ATOM 0 HA MET A 69 9.633 -6.560 -3.464 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.458 -6.847 -4.648 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.642 -7.000 -3.104 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.275 -4.778 -3.397 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.864 -4.639 -2.671 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.413 -3.609 -6.767 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.563 -4.069 -5.273 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.328 -2.468 -5.404 1.00 0.00 H new ATOM 960 N LEU A 70 9.509 -5.578 -1.171 1.00 0.00 N ATOM 961 CA LEU A 70 9.617 -5.118 0.209 1.00 0.00 C ATOM 962 C LEU A 70 8.797 -3.851 0.427 1.00 0.00 C ATOM 963 O LEU A 70 8.786 -2.954 -0.416 1.00 0.00 O ATOM 964 CB LEU A 70 11.082 -4.860 0.568 1.00 0.00 C ATOM 965 CG LEU A 70 11.958 -6.100 0.749 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.426 -5.710 0.827 1.00 0.00 C ATOM 967 CD2 LEU A 70 11.541 -6.869 1.995 1.00 0.00 C ATOM 0 H LEU A 70 10.003 -4.997 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 70 9.222 -5.899 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.522 -4.240 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.112 -4.281 1.491 1.00 0.00 H new ATOM 0 HG LEU A 70 11.822 -6.748 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.034 -6.605 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.717 -5.203 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.580 -5.042 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.175 -7.749 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.648 -6.229 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.501 -7.181 1.899 1.00 0.00 H new ATOM 979 N VAL A 71 8.113 -3.783 1.565 1.00 0.00 N ATOM 980 CA VAL A 71 7.292 -2.624 1.895 1.00 0.00 C ATOM 981 C VAL A 71 7.901 -1.831 3.046 1.00 0.00 C ATOM 982 O VAL A 71 8.062 -2.345 4.153 1.00 0.00 O ATOM 983 CB VAL A 71 5.859 -3.041 2.275 1.00 0.00 C ATOM 984 CG1 VAL A 71 5.026 -1.821 2.637 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.213 -3.820 1.139 1.00 0.00 C ATOM 0 H VAL A 71 8.111 -4.517 2.274 1.00 0.00 H new ATOM 0 HA VAL A 71 7.255 -1.997 1.004 1.00 0.00 H new ATOM 0 HB VAL A 71 5.907 -3.690 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.017 -2.135 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.481 -1.308 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.982 -1.144 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.201 -4.107 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.175 -3.197 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.799 -4.715 0.932 1.00 0.00 H new ATOM 995 N CYS A 72 8.237 -0.573 2.778 1.00 0.00 N ATOM 996 CA CYS A 72 8.828 0.293 3.790 1.00 0.00 C ATOM 997 C CYS A 72 7.807 0.645 4.868 1.00 0.00 C ATOM 998 O CYS A 72 6.705 1.105 4.568 1.00 0.00 O ATOM 999 CB CYS A 72 9.366 1.572 3.146 1.00 0.00 C ATOM 1000 SG CYS A 72 10.316 2.634 4.281 1.00 0.00 S ATOM 0 H CYS A 72 8.110 -0.131 1.868 1.00 0.00 H new ATOM 0 HA CYS A 72 9.653 -0.246 4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.001 1.302 2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.529 2.144 2.745 1.00 0.00 H new ATOM 0 HG CYS A 72 11.187 3.322 3.605 1.00 0.00 H new ATOM 1005 N ASP A 73 8.181 0.427 6.124 1.00 0.00 N ATOM 1006 CA ASP A 73 7.299 0.722 7.247 1.00 0.00 C ATOM 1007 C ASP A 73 7.357 2.203 7.609 1.00 0.00 C ATOM 1008 O ASP A 73 7.065 2.589 8.742 1.00 0.00 O ATOM 1009 CB ASP A 73 7.682 -0.127 8.460 1.00 0.00 C ATOM 1010 CG ASP A 73 6.945 -1.452 8.495 1.00 0.00 C ATOM 1011 OD1 ASP A 73 5.727 -1.446 8.773 1.00 0.00 O ATOM 1012 OD2 ASP A 73 7.586 -2.493 8.245 1.00 0.00 O ATOM 0 H ASP A 73 9.089 0.047 6.390 1.00 0.00 H new ATOM 0 HA ASP A 73 6.279 0.479 6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.756 -0.312 8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.467 0.430 9.372 1.00 0.00 H new ATOM 1017 N THR A 74 7.737 3.030 6.639 1.00 0.00 N ATOM 1018 CA THR A 74 7.835 4.468 6.856 1.00 0.00 C ATOM 1019 C THR A 74 7.148 5.240 5.736 1.00 0.00 C ATOM 1020 O THR A 74 6.293 6.090 5.988 1.00 0.00 O ATOM 1021 CB THR A 74 9.304 4.922 6.951 1.00 0.00 C ATOM 1022 OG1 THR A 74 9.995 4.141 7.933 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.391 6.396 7.316 1.00 0.00 C ATOM 0 H THR A 74 7.982 2.728 5.696 1.00 0.00 H new ATOM 0 HA THR A 74 7.335 4.681 7.801 1.00 0.00 H new ATOM 0 HB THR A 74 9.771 4.776 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.929 4.434 7.986 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.438 6.694 7.378 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.888 6.990 6.553 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.909 6.561 8.280 1.00 0.00 H new ATOM 1031 N CYS A 75 7.526 4.941 4.498 1.00 0.00 N ATOM 1032 CA CYS A 75 6.946 5.607 3.338 1.00 0.00 C ATOM 1033 C CYS A 75 5.976 4.682 2.608 1.00 0.00 C ATOM 1034 O CYS A 75 5.044 5.141 1.947 1.00 0.00 O ATOM 1035 CB CYS A 75 8.049 6.064 2.382 1.00 0.00 C ATOM 1036 SG CYS A 75 8.968 4.699 1.600 1.00 0.00 S ATOM 0 H CYS A 75 8.232 4.241 4.272 1.00 0.00 H new ATOM 0 HA CYS A 75 6.394 6.479 3.689 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.606 6.683 1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.751 6.694 2.929 1.00 0.00 H new ATOM 0 HG CYS A 75 9.611 4.031 2.511 1.00 0.00 H new ATOM 1041 N ASP A 76 6.202 3.379 2.733 1.00 0.00 N ATOM 1042 CA ASP A 76 5.348 2.390 2.087 1.00 0.00 C ATOM 1043 C ASP A 76 5.593 2.361 0.581 1.00 0.00 C ATOM 1044 O ASP A 76 4.651 2.314 -0.211 1.00 0.00 O ATOM 1045 CB ASP A 76 3.876 2.691 2.371 1.00 0.00 C ATOM 1046 CG ASP A 76 2.974 1.512 2.065 1.00 0.00 C ATOM 1047 OD1 ASP A 76 2.843 0.624 2.933 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.398 1.477 0.957 1.00 0.00 O ATOM 0 H ASP A 76 6.970 2.983 3.276 1.00 0.00 H new ATOM 0 HA ASP A 76 5.595 1.411 2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.761 2.970 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.562 3.549 1.776 1.00 0.00 H new ATOM 1053 N LYS A 77 6.863 2.390 0.193 1.00 0.00 N ATOM 1054 CA LYS A 77 7.233 2.367 -1.217 1.00 0.00 C ATOM 1055 C LYS A 77 7.743 0.988 -1.624 1.00 0.00 C ATOM 1056 O LYS A 77 8.882 0.626 -1.331 1.00 0.00 O ATOM 1057 CB LYS A 77 8.303 3.423 -1.502 1.00 0.00 C ATOM 1058 CG LYS A 77 7.762 4.842 -1.541 1.00 0.00 C ATOM 1059 CD LYS A 77 8.744 5.795 -2.202 1.00 0.00 C ATOM 1060 CE LYS A 77 9.844 6.217 -1.240 1.00 0.00 C ATOM 1061 NZ LYS A 77 10.571 7.424 -1.723 1.00 0.00 N ATOM 0 H LYS A 77 7.654 2.430 0.836 1.00 0.00 H new ATOM 0 HA LYS A 77 6.343 2.593 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.077 3.359 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.778 3.198 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.817 4.857 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.552 5.180 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.187 5.315 -3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.213 6.677 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.411 6.422 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.549 5.396 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.585 7.324 -1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.435 7.524 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.201 8.268 -1.241 1.00 0.00 H new ATOM 1075 N GLY A 78 6.893 0.223 -2.302 1.00 0.00 N ATOM 1076 CA GLY A 78 7.277 -1.106 -2.738 1.00 0.00 C ATOM 1077 C GLY A 78 8.563 -1.104 -3.540 1.00 0.00 C ATOM 1078 O GLY A 78 8.755 -0.261 -4.417 1.00 0.00 O ATOM 0 H GLY A 78 5.945 0.500 -2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.397 -1.750 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.476 -1.532 -3.342 1.00 0.00 H new ATOM 1082 N TYR A 79 9.448 -2.049 -3.240 1.00 0.00 N ATOM 1083 CA TYR A 79 10.724 -2.150 -3.937 1.00 0.00 C ATOM 1084 C TYR A 79 11.167 -3.605 -4.055 1.00 0.00 C ATOM 1085 O TYR A 79 11.462 -4.260 -3.055 1.00 0.00 O ATOM 1086 CB TYR A 79 11.795 -1.338 -3.205 1.00 0.00 C ATOM 1087 CG TYR A 79 11.734 0.145 -3.495 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.913 0.629 -4.785 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.496 1.062 -2.478 1.00 0.00 C ATOM 1090 CE1 TYR A 79 11.859 1.982 -5.053 1.00 0.00 C ATOM 1091 CE2 TYR A 79 11.438 2.417 -2.738 1.00 0.00 C ATOM 1092 CZ TYR A 79 11.621 2.873 -4.027 1.00 0.00 C ATOM 1093 OH TYR A 79 11.565 4.222 -4.291 1.00 0.00 O ATOM 0 H TYR A 79 9.304 -2.756 -2.519 1.00 0.00 H new ATOM 0 HA TYR A 79 10.593 -1.746 -4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.687 -1.495 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.779 -1.714 -3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.097 -0.065 -5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.354 0.709 -1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.002 2.341 -6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.250 3.116 -1.936 1.00 0.00 H new ATOM 0 HH TYR A 79 11.388 4.711 -3.460 1.00 0.00 H new ATOM 1103 N HIS A 80 11.210 -4.105 -5.286 1.00 0.00 N ATOM 1104 CA HIS A 80 11.618 -5.483 -5.538 1.00 0.00 C ATOM 1105 C HIS A 80 13.018 -5.744 -4.991 1.00 0.00 C ATOM 1106 O HIS A 80 13.922 -4.922 -5.149 1.00 0.00 O ATOM 1107 CB HIS A 80 11.579 -5.783 -7.037 1.00 0.00 C ATOM 1108 CG HIS A 80 10.260 -5.474 -7.675 1.00 0.00 C ATOM 1109 ND1 HIS A 80 10.143 -4.791 -8.868 1.00 0.00 N ATOM 1110 CD2 HIS A 80 8.997 -5.760 -7.282 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.865 -4.668 -9.179 1.00 0.00 C ATOM 1112 NE2 HIS A 80 8.149 -5.248 -8.233 1.00 0.00 N ATOM 0 H HIS A 80 10.967 -3.577 -6.124 1.00 0.00 H new ATOM 0 HA HIS A 80 10.918 -6.143 -5.025 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.358 -5.206 -7.535 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.812 -6.836 -7.195 1.00 0.00 H new ATOM 0 HD1 HIS A 80 10.922 -4.436 -9.423 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.710 -6.292 -6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.473 -4.177 -10.057 1.00 0.00 H new ATOM 1120 N THR A 81 13.191 -6.893 -4.345 1.00 0.00 N ATOM 1121 CA THR A 81 14.480 -7.262 -3.773 1.00 0.00 C ATOM 1122 C THR A 81 15.609 -7.039 -4.772 1.00 0.00 C ATOM 1123 O THR A 81 16.693 -6.584 -4.407 1.00 0.00 O ATOM 1124 CB THR A 81 14.493 -8.734 -3.321 1.00 0.00 C ATOM 1125 OG1 THR A 81 13.892 -9.560 -4.324 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.749 -8.903 -2.005 1.00 0.00 C ATOM 0 H THR A 81 12.454 -7.584 -4.205 1.00 0.00 H new ATOM 0 HA THR A 81 14.635 -6.622 -2.905 1.00 0.00 H new ATOM 0 HB THR A 81 15.530 -9.037 -3.175 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.906 -10.495 -4.030 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.772 -9.951 -1.706 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.227 -8.296 -1.236 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.714 -8.583 -2.128 1.00 0.00 H new ATOM 1134 N PHE A 82 15.348 -7.360 -6.035 1.00 0.00 N ATOM 1135 CA PHE A 82 16.344 -7.195 -7.088 1.00 0.00 C ATOM 1136 C PHE A 82 16.477 -5.727 -7.484 1.00 0.00 C ATOM 1137 O PHE A 82 17.514 -5.302 -7.994 1.00 0.00 O ATOM 1138 CB PHE A 82 15.967 -8.033 -8.311 1.00 0.00 C ATOM 1139 CG PHE A 82 14.507 -7.966 -8.657 1.00 0.00 C ATOM 1140 CD1 PHE A 82 14.018 -6.953 -9.466 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.623 -8.918 -8.173 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.674 -6.890 -9.784 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.279 -8.860 -8.488 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.804 -7.845 -9.296 1.00 0.00 C ATOM 0 H PHE A 82 14.455 -7.736 -6.354 1.00 0.00 H new ATOM 0 HA PHE A 82 17.304 -7.538 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.551 -7.695 -9.167 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.242 -9.072 -8.128 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.694 -6.205 -9.852 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.989 -9.714 -7.542 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.305 -6.094 -10.414 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.601 -9.607 -8.103 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.754 -7.799 -9.546 1.00 0.00 H new ATOM 1154 N CYS A 83 15.420 -4.958 -7.246 1.00 0.00 N ATOM 1155 CA CYS A 83 15.417 -3.538 -7.578 1.00 0.00 C ATOM 1156 C CYS A 83 16.040 -2.715 -6.453 1.00 0.00 C ATOM 1157 O CYS A 83 15.746 -1.529 -6.301 1.00 0.00 O ATOM 1158 CB CYS A 83 13.989 -3.058 -7.844 1.00 0.00 C ATOM 1159 SG CYS A 83 13.377 -3.438 -9.517 1.00 0.00 S ATOM 0 H CYS A 83 14.554 -5.294 -6.824 1.00 0.00 H new ATOM 0 HA CYS A 83 16.014 -3.400 -8.480 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.322 -3.514 -7.112 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.944 -1.980 -7.688 1.00 0.00 H new ATOM 0 HG CYS A 83 13.304 -4.727 -9.670 1.00 0.00 H new ATOM 1164 N LEU A 84 16.903 -3.353 -5.669 1.00 0.00 N ATOM 1165 CA LEU A 84 17.568 -2.681 -4.559 1.00 0.00 C ATOM 1166 C LEU A 84 19.085 -2.756 -4.707 1.00 0.00 C ATOM 1167 O LEU A 84 19.626 -3.778 -5.130 1.00 0.00 O ATOM 1168 CB LEU A 84 17.143 -3.306 -3.229 1.00 0.00 C ATOM 1169 CG LEU A 84 15.676 -3.118 -2.839 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.348 -3.928 -1.594 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.368 -1.645 -2.615 1.00 0.00 C ATOM 0 H LEU A 84 17.158 -4.334 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 84 17.271 -1.632 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.354 -4.375 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.765 -2.887 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 84 15.053 -3.478 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.300 -3.782 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.530 -4.985 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.979 -3.598 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.320 -1.530 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.999 -1.259 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.564 -1.089 -3.532 1.00 0.00 H new ATOM 1183 N GLN A 85 19.764 -1.669 -4.354 1.00 0.00 N ATOM 1184 CA GLN A 85 21.218 -1.614 -4.446 1.00 0.00 C ATOM 1185 C GLN A 85 21.841 -1.363 -3.077 1.00 0.00 C ATOM 1186 O GLN A 85 21.763 -0.265 -2.525 1.00 0.00 O ATOM 1187 CB GLN A 85 21.646 -0.518 -5.424 1.00 0.00 C ATOM 1188 CG GLN A 85 21.091 -0.703 -6.827 1.00 0.00 C ATOM 1189 CD GLN A 85 21.821 -1.779 -7.606 1.00 0.00 C ATOM 1190 OE1 GLN A 85 22.795 -1.502 -8.307 1.00 0.00 O ATOM 1191 NE2 GLN A 85 21.354 -3.017 -7.487 1.00 0.00 N ATOM 0 H GLN A 85 19.331 -0.815 -4.002 1.00 0.00 H new ATOM 0 HA GLN A 85 21.571 -2.578 -4.814 1.00 0.00 H new ATOM 0 HB2 GLN A 85 21.321 0.448 -5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 85 22.735 -0.492 -5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 85 20.033 -0.959 -6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 85 21.159 0.241 -7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 85 20.544 -3.202 -6.895 1.00 0.00 H new ATOM 0 HE22 GLN A 85 21.805 -3.783 -7.987 1.00 0.00 H new ATOM 1200 N PRO A 86 22.475 -2.403 -2.516 1.00 0.00 N ATOM 1201 CA PRO A 86 22.574 -3.713 -3.164 1.00 0.00 C ATOM 1202 C PRO A 86 21.232 -4.436 -3.220 1.00 0.00 C ATOM 1203 O PRO A 86 20.246 -3.980 -2.640 1.00 0.00 O ATOM 1204 CB PRO A 86 23.556 -4.477 -2.272 1.00 0.00 C ATOM 1205 CG PRO A 86 23.437 -3.829 -0.936 1.00 0.00 C ATOM 1206 CD PRO A 86 23.144 -2.379 -1.204 1.00 0.00 C ATOM 0 HA PRO A 86 22.895 -3.630 -4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.304 -5.536 -2.222 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.574 -4.409 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.640 -4.286 -0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.358 -3.942 -0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.503 -1.950 -0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 86 24.056 -1.783 -1.229 1.00 0.00 H new ATOM 1214 N VAL A 87 21.202 -5.565 -3.920 1.00 0.00 N ATOM 1215 CA VAL A 87 19.981 -6.352 -4.050 1.00 0.00 C ATOM 1216 C VAL A 87 19.748 -7.213 -2.814 1.00 0.00 C ATOM 1217 O VAL A 87 20.697 -7.656 -2.166 1.00 0.00 O ATOM 1218 CB VAL A 87 20.028 -7.259 -5.293 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.122 -8.467 -5.107 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.637 -6.477 -6.538 1.00 0.00 C ATOM 0 H VAL A 87 22.009 -5.956 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 87 19.158 -5.645 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 87 21.050 -7.617 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.168 -9.097 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 87 19.452 -9.039 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.096 -8.132 -4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.676 -7.134 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.625 -6.089 -6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.330 -5.647 -6.679 1.00 0.00 H new ATOM 1230 N MET A 88 18.480 -7.447 -2.492 1.00 0.00 N ATOM 1231 CA MET A 88 18.123 -8.257 -1.334 1.00 0.00 C ATOM 1232 C MET A 88 18.035 -9.733 -1.709 1.00 0.00 C ATOM 1233 O MET A 88 17.671 -10.078 -2.834 1.00 0.00 O ATOM 1234 CB MET A 88 16.790 -7.788 -0.748 1.00 0.00 C ATOM 1235 CG MET A 88 16.917 -6.568 0.151 1.00 0.00 C ATOM 1236 SD MET A 88 17.796 -6.923 1.684 1.00 0.00 S ATOM 1237 CE MET A 88 16.560 -6.463 2.897 1.00 0.00 C ATOM 0 H MET A 88 17.683 -7.087 -3.017 1.00 0.00 H new ATOM 0 HA MET A 88 18.904 -8.137 -0.583 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.105 -7.558 -1.564 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.346 -8.604 -0.178 1.00 0.00 H new ATOM 0 HG2 MET A 88 17.439 -5.777 -0.388 1.00 0.00 H new ATOM 0 HG3 MET A 88 15.922 -6.190 0.386 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.801 -6.925 3.855 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.547 -5.379 3.010 1.00 0.00 H new ATOM 0 HE3 MET A 88 15.580 -6.805 2.565 1.00 0.00 H new ATOM 1247 N LYS A 89 18.371 -10.601 -0.761 1.00 0.00 N ATOM 1248 CA LYS A 89 18.329 -12.040 -0.991 1.00 0.00 C ATOM 1249 C LYS A 89 17.081 -12.655 -0.365 1.00 0.00 C ATOM 1250 O LYS A 89 16.426 -13.504 -0.970 1.00 0.00 O ATOM 1251 CB LYS A 89 19.581 -12.706 -0.417 1.00 0.00 C ATOM 1252 CG LYS A 89 20.871 -12.242 -1.071 1.00 0.00 C ATOM 1253 CD LYS A 89 21.037 -12.837 -2.460 1.00 0.00 C ATOM 1254 CE LYS A 89 21.875 -11.937 -3.355 1.00 0.00 C ATOM 1255 NZ LYS A 89 23.333 -12.179 -3.176 1.00 0.00 N ATOM 0 H LYS A 89 18.676 -10.333 0.175 1.00 0.00 H new ATOM 0 HA LYS A 89 18.296 -12.210 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.632 -12.503 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 89 19.493 -13.786 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 89 20.876 -11.154 -1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 89 21.719 -12.527 -0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 89 21.509 -13.817 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.057 -12.990 -2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 89 21.604 -12.107 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 89 21.650 -10.894 -3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 23.870 -11.546 -3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 23.597 -11.992 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 23.552 -13.168 -3.412 1.00 0.00 H new ATOM 1269 N SER A 90 16.757 -12.220 0.848 1.00 0.00 N ATOM 1270 CA SER A 90 15.589 -12.730 1.556 1.00 0.00 C ATOM 1271 C SER A 90 14.754 -11.585 2.121 1.00 0.00 C ATOM 1272 O SER A 90 15.171 -10.427 2.100 1.00 0.00 O ATOM 1273 CB SER A 90 16.020 -13.667 2.686 1.00 0.00 C ATOM 1274 OG SER A 90 16.996 -13.056 3.511 1.00 0.00 O ATOM 0 H SER A 90 17.287 -11.516 1.361 1.00 0.00 H new ATOM 0 HA SER A 90 14.978 -13.286 0.845 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.152 -13.941 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.421 -14.589 2.265 1.00 0.00 H new ATOM 0 HG SER A 90 17.253 -13.675 4.226 1.00 0.00 H new ATOM 1280 N VAL A 91 13.570 -11.917 2.626 1.00 0.00 N ATOM 1281 CA VAL A 91 12.675 -10.919 3.198 1.00 0.00 C ATOM 1282 C VAL A 91 12.839 -10.835 4.711 1.00 0.00 C ATOM 1283 O VAL A 91 12.708 -11.826 5.430 1.00 0.00 O ATOM 1284 CB VAL A 91 11.203 -11.230 2.869 1.00 0.00 C ATOM 1285 CG1 VAL A 91 10.283 -10.200 3.507 1.00 0.00 C ATOM 1286 CG2 VAL A 91 10.993 -11.284 1.364 1.00 0.00 C ATOM 0 H VAL A 91 13.208 -12.870 2.650 1.00 0.00 H new ATOM 0 HA VAL A 91 12.945 -9.961 2.753 1.00 0.00 H new ATOM 0 HB VAL A 91 10.956 -12.208 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.247 -10.437 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.414 -10.216 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.528 -9.208 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.947 -11.505 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 91 11.258 -10.322 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.623 -12.064 0.936 1.00 0.00 H new ATOM 1296 N PRO A 92 13.134 -9.625 5.209 1.00 0.00 N ATOM 1297 CA PRO A 92 13.323 -9.383 6.642 1.00 0.00 C ATOM 1298 C PRO A 92 12.019 -9.495 7.425 1.00 0.00 C ATOM 1299 O PRO A 92 10.931 -9.455 6.850 1.00 0.00 O ATOM 1300 CB PRO A 92 13.855 -7.948 6.692 1.00 0.00 C ATOM 1301 CG PRO A 92 13.345 -7.311 5.446 1.00 0.00 C ATOM 1302 CD PRO A 92 13.306 -8.400 4.410 1.00 0.00 C ATOM 0 HA PRO A 92 13.991 -10.116 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.498 -7.424 7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 92 14.944 -7.931 6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.354 -6.886 5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.995 -6.495 5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.483 -8.259 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.224 -8.429 3.823 1.00 0.00 H new ATOM 1310 N THR A 93 12.135 -9.635 8.742 1.00 0.00 N ATOM 1311 CA THR A 93 10.966 -9.754 9.604 1.00 0.00 C ATOM 1312 C THR A 93 10.940 -8.646 10.651 1.00 0.00 C ATOM 1313 O THR A 93 9.910 -8.009 10.868 1.00 0.00 O ATOM 1314 CB THR A 93 10.930 -11.119 10.317 1.00 0.00 C ATOM 1315 OG1 THR A 93 11.094 -12.174 9.363 1.00 0.00 O ATOM 1316 CG2 THR A 93 9.618 -11.305 11.064 1.00 0.00 C ATOM 0 H THR A 93 13.027 -9.669 9.235 1.00 0.00 H new ATOM 0 HA THR A 93 10.090 -9.665 8.962 1.00 0.00 H new ATOM 0 HB THR A 93 11.748 -11.149 11.037 1.00 0.00 H new ATOM 0 HG1 THR A 93 11.072 -13.038 9.824 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.616 -12.276 11.559 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.509 -10.517 11.809 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.788 -11.255 10.359 1.00 0.00 H new ATOM 1324 N ASN A 94 12.080 -8.422 11.297 1.00 0.00 N ATOM 1325 CA ASN A 94 12.187 -7.390 12.321 1.00 0.00 C ATOM 1326 C ASN A 94 11.615 -6.066 11.823 1.00 0.00 C ATOM 1327 O ASN A 94 10.770 -5.457 12.478 1.00 0.00 O ATOM 1328 CB ASN A 94 13.648 -7.202 12.735 1.00 0.00 C ATOM 1329 CG ASN A 94 14.374 -8.523 12.909 1.00 0.00 C ATOM 1330 OD1 ASN A 94 15.268 -8.859 12.132 1.00 0.00 O ATOM 1331 ND2 ASN A 94 13.990 -9.278 13.931 1.00 0.00 N ATOM 0 H ASN A 94 12.942 -8.941 11.129 1.00 0.00 H new ATOM 0 HA ASN A 94 11.609 -7.713 13.187 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.162 -6.604 11.982 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.689 -6.642 13.669 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.441 -10.178 14.098 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.244 -8.959 14.549 1.00 0.00 H new ATOM 1338 N GLY A 95 12.080 -5.628 10.657 1.00 0.00 N ATOM 1339 CA GLY A 95 11.604 -4.380 10.090 1.00 0.00 C ATOM 1340 C GLY A 95 12.496 -3.872 8.975 1.00 0.00 C ATOM 1341 O GLY A 95 13.704 -3.722 9.157 1.00 0.00 O ATOM 0 H GLY A 95 12.778 -6.115 10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.593 -4.521 9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.545 -3.627 10.876 1.00 0.00 H new ATOM 1345 N TRP A 96 11.900 -3.607 7.817 1.00 0.00 N ATOM 1346 CA TRP A 96 12.650 -3.114 6.668 1.00 0.00 C ATOM 1347 C TRP A 96 12.435 -1.616 6.479 1.00 0.00 C ATOM 1348 O TRP A 96 11.360 -1.092 6.768 1.00 0.00 O ATOM 1349 CB TRP A 96 12.234 -3.865 5.402 1.00 0.00 C ATOM 1350 CG TRP A 96 13.048 -3.497 4.198 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.307 -3.931 3.896 1.00 0.00 C ATOM 1352 CD2 TRP A 96 12.659 -2.617 3.137 1.00 0.00 C ATOM 1353 NE1 TRP A 96 14.724 -3.374 2.711 1.00 0.00 N ATOM 1354 CE2 TRP A 96 13.731 -2.565 2.225 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.509 -1.870 2.868 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 13.686 -1.795 1.066 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.466 -1.106 1.718 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.548 -1.073 0.828 1.00 0.00 C ATOM 0 H TRP A 96 10.901 -3.725 7.650 1.00 0.00 H new ATOM 0 HA TRP A 96 13.710 -3.289 6.855 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.323 -4.937 5.578 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.183 -3.662 5.197 1.00 0.00 H new ATOM 0 HD1 TRP A 96 14.889 -4.612 4.499 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.627 -3.537 2.265 1.00 0.00 H new ATOM 0 HE3 TRP A 96 10.669 -1.890 3.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.519 -1.768 0.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.583 -0.524 1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.483 -0.466 -0.063 1.00 0.00 H new ATOM 1369 N LYS A 97 13.465 -0.932 5.992 1.00 0.00 N ATOM 1370 CA LYS A 97 13.389 0.506 5.763 1.00 0.00 C ATOM 1371 C LYS A 97 14.183 0.902 4.522 1.00 0.00 C ATOM 1372 O LYS A 97 15.344 0.520 4.367 1.00 0.00 O ATOM 1373 CB LYS A 97 13.915 1.266 6.982 1.00 0.00 C ATOM 1374 CG LYS A 97 13.388 2.686 7.087 1.00 0.00 C ATOM 1375 CD LYS A 97 14.314 3.565 7.912 1.00 0.00 C ATOM 1376 CE LYS A 97 13.877 3.623 9.368 1.00 0.00 C ATOM 1377 NZ LYS A 97 14.120 2.333 10.071 1.00 0.00 N ATOM 0 H LYS A 97 14.363 -1.351 5.748 1.00 0.00 H new ATOM 0 HA LYS A 97 12.343 0.768 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.644 0.719 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.004 1.294 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.278 3.109 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.397 2.675 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.332 3.180 7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.329 4.572 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.416 4.422 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.817 3.871 9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.104 2.489 11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.378 1.652 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.048 1.956 9.793 1.00 0.00 H new ATOM 1391 N CYS A 98 13.552 1.670 3.641 1.00 0.00 N ATOM 1392 CA CYS A 98 14.199 2.119 2.415 1.00 0.00 C ATOM 1393 C CYS A 98 15.177 3.255 2.700 1.00 0.00 C ATOM 1394 O CYS A 98 14.927 4.106 3.555 1.00 0.00 O ATOM 1395 CB CYS A 98 13.151 2.578 1.398 1.00 0.00 C ATOM 1396 SG CYS A 98 12.597 4.298 1.627 1.00 0.00 S ATOM 0 H CYS A 98 12.592 1.995 3.754 1.00 0.00 H new ATOM 0 HA CYS A 98 14.756 1.279 2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.563 2.471 0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.286 1.918 1.460 1.00 0.00 H new ATOM 0 HG CYS A 98 11.298 4.340 1.623 1.00 0.00 H new ATOM 1401 N LYS A 99 16.293 3.262 1.979 1.00 0.00 N ATOM 1402 CA LYS A 99 17.310 4.293 2.152 1.00 0.00 C ATOM 1403 C LYS A 99 16.669 5.667 2.318 1.00 0.00 C ATOM 1404 O LYS A 99 16.847 6.326 3.342 1.00 0.00 O ATOM 1405 CB LYS A 99 18.263 4.304 0.955 1.00 0.00 C ATOM 1406 CG LYS A 99 19.302 5.411 1.015 1.00 0.00 C ATOM 1407 CD LYS A 99 20.359 5.243 -0.064 1.00 0.00 C ATOM 1408 CE LYS A 99 21.478 4.319 0.391 1.00 0.00 C ATOM 1409 NZ LYS A 99 22.328 4.951 1.437 1.00 0.00 N ATOM 0 H LYS A 99 16.516 2.565 1.269 1.00 0.00 H new ATOM 0 HA LYS A 99 17.874 4.063 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.772 3.342 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.682 4.412 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.812 6.378 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.778 5.411 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.898 4.841 -0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.773 6.217 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.050 3.395 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.096 4.049 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 23.246 4.463 1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.479 5.953 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.854 4.879 2.360 1.00 0.00 H new ATOM 1423 N ASN A 100 15.922 6.093 1.305 1.00 0.00 N ATOM 1424 CA ASN A 100 15.253 7.388 1.339 1.00 0.00 C ATOM 1425 C ASN A 100 14.787 7.722 2.753 1.00 0.00 C ATOM 1426 O ASN A 100 14.829 8.878 3.176 1.00 0.00 O ATOM 1427 CB ASN A 100 14.061 7.396 0.381 1.00 0.00 C ATOM 1428 CG ASN A 100 13.703 8.794 -0.086 1.00 0.00 C ATOM 1429 OD1 ASN A 100 14.562 9.542 -0.555 1.00 0.00 O ATOM 1430 ND2 ASN A 100 12.431 9.153 0.040 1.00 0.00 N ATOM 0 H ASN A 100 15.765 5.560 0.450 1.00 0.00 H new ATOM 0 HA ASN A 100 15.968 8.147 1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.290 6.774 -0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.198 6.949 0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.131 10.081 -0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.754 8.500 0.434 1.00 0.00 H new ATOM 1437 N CYS A 101 14.341 6.702 3.479 1.00 0.00 N ATOM 1438 CA CYS A 101 13.866 6.886 4.845 1.00 0.00 C ATOM 1439 C CYS A 101 15.012 6.745 5.843 1.00 0.00 C ATOM 1440 O CYS A 101 15.123 7.522 6.791 1.00 0.00 O ATOM 1441 CB CYS A 101 12.768 5.870 5.166 1.00 0.00 C ATOM 1442 SG CYS A 101 11.170 6.226 4.368 1.00 0.00 S ATOM 0 H CYS A 101 14.299 5.740 3.144 1.00 0.00 H new ATOM 0 HA CYS A 101 13.456 7.893 4.929 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.103 4.879 4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.623 5.836 6.246 1.00 0.00 H new ATOM 0 HG CYS A 101 10.532 5.113 4.159 1.00 0.00 H new ATOM 1447 N ARG A 102 15.862 5.747 5.622 1.00 0.00 N ATOM 1448 CA ARG A 102 16.999 5.503 6.502 1.00 0.00 C ATOM 1449 C ARG A 102 17.782 6.789 6.747 1.00 0.00 C ATOM 1450 O ARG A 102 18.280 7.024 7.849 1.00 0.00 O ATOM 1451 CB ARG A 102 17.918 4.440 5.899 1.00 0.00 C ATOM 1452 CG ARG A 102 17.191 3.175 5.475 1.00 0.00 C ATOM 1453 CD ARG A 102 18.141 1.992 5.377 1.00 0.00 C ATOM 1454 NE ARG A 102 18.641 1.581 6.687 1.00 0.00 N ATOM 1455 CZ ARG A 102 19.034 0.344 6.969 1.00 0.00 C ATOM 1456 NH1 ARG A 102 18.985 -0.599 6.038 1.00 0.00 N ATOM 1457 NH2 ARG A 102 19.477 0.048 8.184 1.00 0.00 N ATOM 0 H ARG A 102 15.785 5.095 4.842 1.00 0.00 H new ATOM 0 HA ARG A 102 16.617 5.143 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.429 4.862 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 102 18.686 4.180 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 102 16.401 2.950 6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 102 16.709 3.337 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 102 17.628 1.154 4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 102 18.981 2.254 4.734 1.00 0.00 H new ATOM 0 HE ARG A 102 18.691 2.283 7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 102 18.645 -0.375 5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.287 -1.548 6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.516 0.771 8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.779 -0.902 8.399 1.00 0.00 H new ATOM 1471 N ILE A 103 17.888 7.617 5.713 1.00 0.00 N ATOM 1472 CA ILE A 103 18.611 8.879 5.817 1.00 0.00 C ATOM 1473 C ILE A 103 18.494 9.466 7.220 1.00 0.00 C ATOM 1474 O ILE A 103 17.393 9.720 7.708 1.00 0.00 O ATOM 1475 CB ILE A 103 18.092 9.910 4.797 1.00 0.00 C ATOM 1476 CG1 ILE A 103 18.240 9.370 3.373 1.00 0.00 C ATOM 1477 CG2 ILE A 103 18.838 11.227 4.949 1.00 0.00 C ATOM 1478 CD1 ILE A 103 19.620 8.830 3.072 1.00 0.00 C ATOM 0 H ILE A 103 17.483 7.437 4.794 1.00 0.00 H new ATOM 0 HA ILE A 103 19.657 8.662 5.603 1.00 0.00 H new ATOM 0 HB ILE A 103 17.034 10.089 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 103 17.507 8.579 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 103 18.008 10.166 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 103 18.460 11.945 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 103 18.687 11.617 5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 103 19.902 11.064 4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.652 8.464 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.357 9.624 3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.848 8.012 3.756 1.00 0.00 H new