USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 982 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: B 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 36 ASN : amide:sc= -2.67! C(o=-2.7!,f=-2.4!) USER MOD Set 2.1: A 35 SER OG : rot -59:sc= 0 USER MOD Set 2.2: B 35 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 36 ASN : amide:sc= -2.63! C(o=-2.6!,f=-2.4!) USER MOD Single : A 5 SER OG : rot -158:sc= 0.225 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 8 THR OG1 : rot -178:sc= 0.752 USER MOD Single : A 23 HIS : no HD1:sc= -2.57! K(o=-2.6!,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ -142:sc= -0.334 (180deg=-1.53!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00739 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -5.02! C(o=-5!,f=-13!) USER MOD Single : A 48 GLN : amide:sc= -1.75! K(o=-1.8!,f=-0.027) USER MOD Single : A 52 ASN : amide:sc= -1.08! C(o=-1.1!,f=-7.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0471) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 87:sc= 0.468 USER MOD Single : B 5 SER OG : rot -158:sc= 0.236 USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : B 8 THR OG1 : rot 179:sc= 0.642 USER MOD Single : B 23 HIS : no HD1:sc= -2.63! K(o=-2.6!,f=-1.2) USER MOD Single : B 25 LYS NZ :NH3+ -145:sc= -0.314 (180deg=-1.52!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -4.9! C(o=-4.9!,f=-13!) USER MOD Single : B 48 GLN : amide:sc= -1.65! K(o=-1.7!,f=-0.032) USER MOD Single : B 52 ASN : amide:sc= -1.13! C(o=-1.1!,f=-7.7!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0507) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 SER OG : rot 86:sc= 0.467 USER MOD ----------------------------------------------------------------- ATOM 58 N SER A 5 13.461 -6.582 -4.275 1.00 0.00 N ATOM 59 CA SER A 5 12.841 -5.440 -3.545 1.00 0.00 C ATOM 60 C SER A 5 12.269 -4.443 -4.554 1.00 0.00 C ATOM 61 O SER A 5 12.959 -3.570 -5.037 1.00 0.00 O ATOM 62 CB SER A 5 13.900 -4.747 -2.687 1.00 0.00 C ATOM 63 OG SER A 5 14.273 -5.601 -1.614 1.00 0.00 O ATOM 0 HA SER A 5 12.041 -5.809 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.773 -4.504 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.510 -3.806 -2.299 1.00 0.00 H new ATOM 0 HG SER A 5 14.659 -5.066 -0.889 1.00 0.00 H new ATOM 69 N ASP A 6 11.011 -4.567 -4.877 1.00 0.00 N ATOM 70 CA ASP A 6 10.397 -3.624 -5.855 1.00 0.00 C ATOM 71 C ASP A 6 8.988 -3.263 -5.388 1.00 0.00 C ATOM 72 O ASP A 6 8.687 -3.312 -4.211 1.00 0.00 O ATOM 73 CB ASP A 6 10.344 -4.287 -7.237 1.00 0.00 C ATOM 74 CG ASP A 6 9.399 -5.493 -7.202 1.00 0.00 C ATOM 75 OD1 ASP A 6 9.141 -5.986 -6.117 1.00 0.00 O ATOM 76 OD2 ASP A 6 8.950 -5.899 -8.261 1.00 0.00 O ATOM 0 H ASP A 6 10.382 -5.280 -4.507 1.00 0.00 H new ATOM 0 HA ASP A 6 10.995 -2.715 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.003 -3.568 -7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.343 -4.605 -7.536 1.00 0.00 H new ATOM 81 N THR A 7 8.125 -2.889 -6.288 1.00 0.00 N ATOM 82 CA THR A 7 6.752 -2.510 -5.871 1.00 0.00 C ATOM 83 C THR A 7 5.937 -3.763 -5.541 1.00 0.00 C ATOM 84 O THR A 7 6.184 -4.832 -6.063 1.00 0.00 O ATOM 85 CB THR A 7 6.072 -1.730 -6.999 1.00 0.00 C ATOM 86 OG1 THR A 7 4.785 -1.307 -6.571 1.00 0.00 O ATOM 87 CG2 THR A 7 5.932 -2.625 -8.231 1.00 0.00 C ATOM 0 H THR A 7 8.311 -2.830 -7.289 1.00 0.00 H new ATOM 0 HA THR A 7 6.809 -1.884 -4.981 1.00 0.00 H new ATOM 0 HB THR A 7 6.676 -0.859 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.349 -0.806 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.448 -2.067 -9.033 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.920 -2.949 -8.560 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.329 -3.498 -7.980 1.00 0.00 H new ATOM 95 N THR A 8 4.966 -3.638 -4.676 1.00 0.00 N ATOM 96 CA THR A 8 4.132 -4.819 -4.310 1.00 0.00 C ATOM 97 C THR A 8 2.649 -4.508 -4.588 1.00 0.00 C ATOM 98 O THR A 8 2.075 -3.655 -3.943 1.00 0.00 O ATOM 99 CB THR A 8 4.314 -5.127 -2.822 1.00 0.00 C ATOM 100 OG1 THR A 8 5.697 -5.273 -2.533 1.00 0.00 O ATOM 101 CG2 THR A 8 3.580 -6.424 -2.477 1.00 0.00 C ATOM 0 H THR A 8 4.714 -2.768 -4.207 1.00 0.00 H new ATOM 0 HA THR A 8 4.441 -5.680 -4.903 1.00 0.00 H new ATOM 0 HB THR A 8 3.905 -4.309 -2.229 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.811 -5.500 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.709 -6.644 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.519 -6.311 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.989 -7.242 -3.070 1.00 0.00 H new ATOM 109 N PRO A 9 2.070 -5.207 -5.545 1.00 0.00 N ATOM 110 CA PRO A 9 0.656 -5.005 -5.912 1.00 0.00 C ATOM 111 C PRO A 9 -0.268 -5.353 -4.742 1.00 0.00 C ATOM 112 O PRO A 9 -0.283 -6.468 -4.260 1.00 0.00 O ATOM 113 CB PRO A 9 0.414 -5.973 -7.081 1.00 0.00 C ATOM 114 CG PRO A 9 1.732 -6.751 -7.329 1.00 0.00 C ATOM 115 CD PRO A 9 2.768 -6.242 -6.334 1.00 0.00 C ATOM 0 HA PRO A 9 0.450 -3.968 -6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.398 -6.661 -6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.119 -5.426 -7.976 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.573 -7.822 -7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.078 -6.600 -8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.129 -7.048 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.636 -5.828 -6.847 1.00 0.00 H new ATOM 123 N CYS A 10 -1.047 -4.406 -4.294 1.00 0.00 N ATOM 124 CA CYS A 10 -1.988 -4.664 -3.163 1.00 0.00 C ATOM 125 C CYS A 10 -2.689 -3.366 -2.800 1.00 0.00 C ATOM 126 O CYS A 10 -2.111 -2.300 -2.871 1.00 0.00 O ATOM 127 CB CYS A 10 -1.223 -5.186 -1.944 1.00 0.00 C ATOM 128 SG CYS A 10 0.057 -3.996 -1.471 1.00 0.00 S ATOM 0 H CYS A 10 -1.073 -3.456 -4.665 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.718 -5.414 -3.467 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.910 -5.346 -1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.770 -6.151 -2.173 1.00 0.00 H new ATOM 133 N CYS A 11 -3.934 -3.438 -2.417 1.00 0.00 N ATOM 134 CA CYS A 11 -4.645 -2.187 -2.063 1.00 0.00 C ATOM 135 C CYS A 11 -4.663 -2.008 -0.542 1.00 0.00 C ATOM 136 O CYS A 11 -4.636 -2.964 0.208 1.00 0.00 O ATOM 137 CB CYS A 11 -6.059 -2.182 -2.645 1.00 0.00 C ATOM 138 SG CYS A 11 -7.081 -3.522 -1.999 1.00 0.00 S ATOM 0 H CYS A 11 -4.479 -4.296 -2.336 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.112 -1.342 -2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.536 -1.227 -2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.001 -2.265 -3.730 1.00 0.00 H new ATOM 143 N PHE A 12 -4.668 -0.782 -0.084 1.00 0.00 N ATOM 144 CA PHE A 12 -4.643 -0.531 1.386 1.00 0.00 C ATOM 145 C PHE A 12 -6.042 -0.168 1.906 1.00 0.00 C ATOM 146 O PHE A 12 -6.482 -0.674 2.919 1.00 0.00 O ATOM 147 CB PHE A 12 -3.657 0.615 1.685 1.00 0.00 C ATOM 148 CG PHE A 12 -4.223 1.939 1.214 1.00 0.00 C ATOM 149 CD1 PHE A 12 -4.180 2.284 -0.156 1.00 0.00 C ATOM 150 CD2 PHE A 12 -4.839 2.809 2.142 1.00 0.00 C ATOM 151 CE1 PHE A 12 -4.761 3.493 -0.599 1.00 0.00 C ATOM 152 CE2 PHE A 12 -5.410 4.025 1.700 1.00 0.00 C ATOM 153 CZ PHE A 12 -5.377 4.363 0.329 1.00 0.00 C ATOM 0 H PHE A 12 -4.688 0.055 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.321 -1.440 1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.455 0.659 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.706 0.423 1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.703 1.623 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.874 2.545 3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.734 3.753 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.871 4.695 2.411 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.823 5.286 -0.010 1.00 0.00 H new ATOM 163 N ALA A 13 -6.735 0.713 1.238 1.00 0.00 N ATOM 164 CA ALA A 13 -8.088 1.109 1.721 1.00 0.00 C ATOM 165 C ALA A 13 -9.156 0.273 1.034 1.00 0.00 C ATOM 166 O ALA A 13 -9.196 0.161 -0.175 1.00 0.00 O ATOM 167 CB ALA A 13 -8.326 2.591 1.425 1.00 0.00 C ATOM 0 H ALA A 13 -6.425 1.174 0.383 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.143 0.939 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.316 2.878 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.571 3.190 1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.261 2.762 0.351 1.00 0.00 H new ATOM 173 N TYR A 14 -10.026 -0.315 1.805 1.00 0.00 N ATOM 174 CA TYR A 14 -11.096 -1.148 1.204 1.00 0.00 C ATOM 175 C TYR A 14 -12.148 -0.227 0.580 1.00 0.00 C ATOM 176 O TYR A 14 -12.253 0.933 0.926 1.00 0.00 O ATOM 177 CB TYR A 14 -11.758 -2.032 2.272 1.00 0.00 C ATOM 178 CG TYR A 14 -10.742 -2.460 3.310 1.00 0.00 C ATOM 179 CD1 TYR A 14 -9.597 -3.192 2.922 1.00 0.00 C ATOM 180 CD2 TYR A 14 -10.935 -2.121 4.668 1.00 0.00 C ATOM 181 CE1 TYR A 14 -8.648 -3.587 3.893 1.00 0.00 C ATOM 182 CE2 TYR A 14 -9.987 -2.516 5.638 1.00 0.00 C ATOM 183 CZ TYR A 14 -8.844 -3.250 5.250 1.00 0.00 C ATOM 184 OH TYR A 14 -7.917 -3.635 6.198 1.00 0.00 O ATOM 0 H TYR A 14 -10.040 -0.254 2.823 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.660 -1.794 0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.570 -1.486 2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.199 -2.911 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.447 -3.450 1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.808 -1.559 4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.773 -4.147 3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.136 -2.257 6.676 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.203 -3.322 7.081 1.00 0.00 H new ATOM 194 N ILE A 15 -12.927 -0.729 -0.338 1.00 0.00 N ATOM 195 CA ILE A 15 -13.965 0.126 -0.977 1.00 0.00 C ATOM 196 C ILE A 15 -15.096 0.402 0.017 1.00 0.00 C ATOM 197 O ILE A 15 -15.860 1.333 -0.145 1.00 0.00 O ATOM 198 CB ILE A 15 -14.531 -0.590 -2.205 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.588 0.295 -2.870 1.00 0.00 C ATOM 200 CG2 ILE A 15 -15.170 -1.912 -1.775 1.00 0.00 C ATOM 201 CD1 ILE A 15 -14.954 1.624 -3.285 1.00 0.00 C ATOM 0 H ILE A 15 -12.890 -1.692 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.514 1.071 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 15 -13.726 -0.789 -2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.004 -0.210 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.414 0.473 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.573 -2.423 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -14.418 -2.543 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.975 -1.714 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -15.707 2.254 -3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.560 2.130 -2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -14.143 1.436 -3.989 1.00 0.00 H new ATOM 213 N ALA A 16 -15.216 -0.399 1.042 1.00 0.00 N ATOM 214 CA ALA A 16 -16.304 -0.176 2.037 1.00 0.00 C ATOM 215 C ALA A 16 -17.650 -0.152 1.311 1.00 0.00 C ATOM 216 O ALA A 16 -18.351 0.841 1.309 1.00 0.00 O ATOM 217 CB ALA A 16 -16.081 1.160 2.748 1.00 0.00 C ATOM 0 H ALA A 16 -14.609 -1.196 1.233 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.299 -0.980 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.877 1.322 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.119 1.143 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.088 1.967 2.016 1.00 0.00 H new ATOM 223 N ARG A 17 -18.012 -1.240 0.689 1.00 0.00 N ATOM 224 CA ARG A 17 -19.306 -1.290 -0.048 1.00 0.00 C ATOM 225 C ARG A 17 -19.392 -2.625 -0.807 1.00 0.00 C ATOM 226 O ARG A 17 -18.741 -2.786 -1.821 1.00 0.00 O ATOM 227 CB ARG A 17 -19.366 -0.135 -1.050 1.00 0.00 C ATOM 228 CG ARG A 17 -20.512 0.806 -0.675 1.00 0.00 C ATOM 229 CD ARG A 17 -20.761 1.788 -1.822 1.00 0.00 C ATOM 230 NE ARG A 17 -21.482 1.092 -2.924 1.00 0.00 N ATOM 231 CZ ARG A 17 -21.223 1.395 -4.167 1.00 0.00 C ATOM 232 NH1 ARG A 17 -19.987 1.528 -4.562 1.00 0.00 N ATOM 233 NH2 ARG A 17 -22.201 1.565 -5.014 1.00 0.00 N ATOM 0 H ARG A 17 -17.465 -2.100 0.659 1.00 0.00 H new ATOM 0 HA ARG A 17 -20.136 -1.205 0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.421 0.408 -1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -19.514 -0.522 -2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -21.416 0.232 -0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -20.267 1.350 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -21.347 2.636 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.814 2.185 -2.187 1.00 0.00 H new ATOM 0 HE ARG A 17 -22.178 0.379 -2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.223 1.395 -3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.785 1.765 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -23.167 1.461 -4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.999 1.802 -5.985 1.00 0.00 H new ATOM 247 N PRO A 18 -20.177 -3.557 -0.304 1.00 0.00 N ATOM 248 CA PRO A 18 -20.319 -4.870 -0.952 1.00 0.00 C ATOM 249 C PRO A 18 -20.783 -4.711 -2.401 1.00 0.00 C ATOM 250 O PRO A 18 -21.963 -4.717 -2.691 1.00 0.00 O ATOM 251 CB PRO A 18 -21.376 -5.610 -0.124 1.00 0.00 C ATOM 252 CG PRO A 18 -21.790 -4.687 1.049 1.00 0.00 C ATOM 253 CD PRO A 18 -20.983 -3.386 0.925 1.00 0.00 C ATOM 0 HA PRO A 18 -19.374 -5.412 -0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -22.241 -5.856 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.976 -6.551 0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -22.859 -4.479 1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -21.591 -5.171 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -21.639 -2.519 0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -20.347 -3.230 1.797 1.00 0.00 H new ATOM 261 N LEU A 19 -19.859 -4.577 -3.314 1.00 0.00 N ATOM 262 CA LEU A 19 -20.250 -4.428 -4.748 1.00 0.00 C ATOM 263 C LEU A 19 -20.559 -5.823 -5.323 1.00 0.00 C ATOM 264 O LEU A 19 -19.790 -6.741 -5.119 1.00 0.00 O ATOM 265 CB LEU A 19 -19.115 -3.772 -5.550 1.00 0.00 C ATOM 266 CG LEU A 19 -17.759 -4.331 -5.112 1.00 0.00 C ATOM 267 CD1 LEU A 19 -16.852 -4.481 -6.334 1.00 0.00 C ATOM 268 CD2 LEU A 19 -17.109 -3.369 -4.116 1.00 0.00 C ATOM 0 H LEU A 19 -18.855 -4.564 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.131 -3.790 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -19.263 -3.952 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.135 -2.692 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 19 -17.902 -5.303 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.886 -4.879 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -17.313 -5.164 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.709 -3.507 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.143 -3.766 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.966 -2.397 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -17.754 -3.257 -3.245 1.00 0.00 H new ATOM 280 N PRO A 20 -21.679 -5.959 -6.013 1.00 0.00 N ATOM 281 CA PRO A 20 -22.082 -7.257 -6.587 1.00 0.00 C ATOM 282 C PRO A 20 -20.994 -7.814 -7.507 1.00 0.00 C ATOM 283 O PRO A 20 -20.464 -7.122 -8.353 1.00 0.00 O ATOM 284 CB PRO A 20 -23.358 -6.957 -7.388 1.00 0.00 C ATOM 285 CG PRO A 20 -23.708 -5.462 -7.178 1.00 0.00 C ATOM 286 CD PRO A 20 -22.619 -4.849 -6.285 1.00 0.00 C ATOM 0 HA PRO A 20 -22.244 -8.007 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -23.203 -7.168 -8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -24.178 -7.592 -7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -23.755 -4.942 -8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -24.688 -5.360 -6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -22.118 -4.021 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -23.042 -4.454 -5.361 1.00 0.00 H new ATOM 294 N ARG A 21 -20.660 -9.066 -7.342 1.00 0.00 N ATOM 295 CA ARG A 21 -19.606 -9.680 -8.201 1.00 0.00 C ATOM 296 C ARG A 21 -19.946 -9.449 -9.678 1.00 0.00 C ATOM 297 O ARG A 21 -19.083 -9.464 -10.534 1.00 0.00 O ATOM 298 CB ARG A 21 -19.503 -11.187 -7.905 1.00 0.00 C ATOM 299 CG ARG A 21 -20.710 -11.947 -8.480 1.00 0.00 C ATOM 300 CD ARG A 21 -21.970 -11.588 -7.692 1.00 0.00 C ATOM 301 NE ARG A 21 -22.982 -12.669 -7.855 1.00 0.00 N ATOM 302 CZ ARG A 21 -23.982 -12.758 -7.023 1.00 0.00 C ATOM 303 NH1 ARG A 21 -24.918 -11.849 -7.027 1.00 0.00 N ATOM 304 NH2 ARG A 21 -24.048 -13.757 -6.186 1.00 0.00 N ATOM 0 H ARG A 21 -21.072 -9.691 -6.649 1.00 0.00 H new ATOM 0 HA ARG A 21 -18.645 -9.215 -7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -18.582 -11.583 -8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -19.448 -11.347 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -20.843 -11.694 -9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -20.532 -13.021 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -21.728 -11.458 -6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -22.375 -10.640 -8.045 1.00 0.00 H new ATOM 0 HE ARG A 21 -22.893 -13.340 -8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -24.868 -11.068 -7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -25.700 -11.919 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -23.317 -14.469 -6.182 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -24.830 -13.826 -5.535 1.00 0.00 H new ATOM 318 N ALA A 22 -21.198 -9.235 -9.984 1.00 0.00 N ATOM 319 CA ALA A 22 -21.592 -9.004 -11.404 1.00 0.00 C ATOM 320 C ALA A 22 -20.741 -7.874 -11.983 1.00 0.00 C ATOM 321 O ALA A 22 -20.110 -8.023 -13.011 1.00 0.00 O ATOM 322 CB ALA A 22 -23.070 -8.618 -11.470 1.00 0.00 C ATOM 0 H ALA A 22 -21.965 -9.210 -9.312 1.00 0.00 H new ATOM 0 HA ALA A 22 -21.433 -9.915 -11.981 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -23.356 -8.450 -12.508 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -23.675 -9.423 -11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -23.234 -7.706 -10.896 1.00 0.00 H new ATOM 328 N HIS A 23 -20.708 -6.751 -11.325 1.00 0.00 N ATOM 329 CA HIS A 23 -19.885 -5.624 -11.834 1.00 0.00 C ATOM 330 C HIS A 23 -18.410 -6.008 -11.733 1.00 0.00 C ATOM 331 O HIS A 23 -17.581 -5.502 -12.459 1.00 0.00 O ATOM 332 CB HIS A 23 -20.145 -4.374 -10.989 1.00 0.00 C ATOM 333 CG HIS A 23 -21.626 -4.173 -10.828 1.00 0.00 C ATOM 334 ND1 HIS A 23 -22.158 -3.347 -9.846 1.00 0.00 N ATOM 335 CD2 HIS A 23 -22.701 -4.677 -11.519 1.00 0.00 C ATOM 336 CE1 HIS A 23 -23.490 -3.373 -9.969 1.00 0.00 C ATOM 337 NE2 HIS A 23 -23.876 -4.171 -10.976 1.00 0.00 N ATOM 0 H HIS A 23 -21.214 -6.566 -10.459 1.00 0.00 H new ATOM 0 HA HIS A 23 -20.146 -5.415 -12.871 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -19.674 -4.479 -10.012 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -19.699 -3.501 -11.466 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -22.642 -5.360 -12.354 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -24.169 -2.821 -9.337 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -24.830 -4.365 -11.279 1.00 0.00 H new ATOM 345 N ILE A 24 -18.076 -6.903 -10.840 1.00 0.00 N ATOM 346 CA ILE A 24 -16.649 -7.310 -10.702 1.00 0.00 C ATOM 347 C ILE A 24 -16.338 -8.443 -11.680 1.00 0.00 C ATOM 348 O ILE A 24 -17.223 -9.106 -12.183 1.00 0.00 O ATOM 349 CB ILE A 24 -16.371 -7.819 -9.290 1.00 0.00 C ATOM 350 CG1 ILE A 24 -17.049 -6.923 -8.255 1.00 0.00 C ATOM 351 CG2 ILE A 24 -14.860 -7.833 -9.042 1.00 0.00 C ATOM 352 CD1 ILE A 24 -16.959 -7.590 -6.879 1.00 0.00 C ATOM 0 H ILE A 24 -18.726 -7.366 -10.205 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.028 -6.439 -10.911 1.00 0.00 H new ATOM 0 HB ILE A 24 -16.771 -8.829 -9.195 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -16.568 -5.945 -8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -18.092 -6.758 -8.526 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.660 -8.196 -8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.378 -8.490 -9.767 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.464 -6.823 -9.149 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -17.441 -6.956 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -17.460 -8.558 -6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.912 -7.732 -6.611 1.00 0.00 H new ATOM 364 N LYS A 25 -15.082 -8.680 -11.937 1.00 0.00 N ATOM 365 CA LYS A 25 -14.705 -9.784 -12.865 1.00 0.00 C ATOM 366 C LYS A 25 -13.753 -10.761 -12.153 1.00 0.00 C ATOM 367 O LYS A 25 -13.511 -11.854 -12.624 1.00 0.00 O ATOM 368 CB LYS A 25 -14.010 -9.201 -14.098 1.00 0.00 C ATOM 369 CG LYS A 25 -15.042 -8.496 -14.979 1.00 0.00 C ATOM 370 CD LYS A 25 -14.326 -7.756 -16.111 1.00 0.00 C ATOM 371 CE LYS A 25 -15.150 -7.865 -17.396 1.00 0.00 C ATOM 372 NZ LYS A 25 -15.342 -9.301 -17.742 1.00 0.00 N ATOM 0 H LYS A 25 -14.299 -8.157 -11.545 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.604 -10.318 -13.172 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.235 -8.498 -13.793 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.517 -9.994 -14.660 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.742 -9.223 -15.391 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.626 -7.794 -14.383 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.187 -6.708 -15.844 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.334 -8.180 -16.266 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.117 -7.379 -17.263 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.643 -7.348 -18.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.285 -9.420 -18.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.600 -9.870 -17.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.275 -9.617 -17.408 1.00 0.00 H new ATOM 386 N GLU A 26 -13.203 -10.371 -11.029 1.00 0.00 N ATOM 387 CA GLU A 26 -12.261 -11.264 -10.299 1.00 0.00 C ATOM 388 C GLU A 26 -11.828 -10.547 -9.015 1.00 0.00 C ATOM 389 O GLU A 26 -12.459 -9.602 -8.589 1.00 0.00 O ATOM 390 CB GLU A 26 -11.030 -11.572 -11.182 1.00 0.00 C ATOM 391 CG GLU A 26 -10.771 -10.445 -12.196 1.00 0.00 C ATOM 392 CD GLU A 26 -11.212 -10.881 -13.598 1.00 0.00 C ATOM 393 OE1 GLU A 26 -11.362 -12.072 -13.811 1.00 0.00 O ATOM 394 OE2 GLU A 26 -11.371 -10.014 -14.440 1.00 0.00 O ATOM 0 H GLU A 26 -13.369 -9.467 -10.587 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.747 -12.209 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.151 -11.704 -10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.186 -12.512 -11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.313 -9.547 -11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.711 -10.189 -12.203 1.00 0.00 H new ATOM 401 N TYR A 27 -10.753 -10.964 -8.405 1.00 0.00 N ATOM 402 CA TYR A 27 -10.279 -10.288 -7.172 1.00 0.00 C ATOM 403 C TYR A 27 -8.776 -10.522 -7.072 1.00 0.00 C ATOM 404 O TYR A 27 -8.199 -11.200 -7.901 1.00 0.00 O ATOM 405 CB TYR A 27 -11.001 -10.874 -5.947 1.00 0.00 C ATOM 406 CG TYR A 27 -10.539 -12.294 -5.699 1.00 0.00 C ATOM 407 CD1 TYR A 27 -11.067 -13.356 -6.467 1.00 0.00 C ATOM 408 CD2 TYR A 27 -9.546 -12.549 -4.728 1.00 0.00 C ATOM 409 CE1 TYR A 27 -10.601 -14.674 -6.262 1.00 0.00 C ATOM 410 CE2 TYR A 27 -9.086 -13.868 -4.517 1.00 0.00 C ATOM 411 CZ TYR A 27 -9.611 -14.930 -5.285 1.00 0.00 C ATOM 412 OH TYR A 27 -9.155 -16.217 -5.087 1.00 0.00 O ATOM 0 H TYR A 27 -10.181 -11.750 -8.713 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.492 -9.219 -7.206 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.800 -10.260 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.079 -10.857 -6.108 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.826 -13.160 -7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.138 -11.735 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.001 -15.486 -6.851 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.333 -14.064 -3.768 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.476 -16.218 -4.381 1.00 0.00 H new ATOM 422 N PHE A 28 -8.132 -9.983 -6.081 1.00 0.00 N ATOM 423 CA PHE A 28 -6.673 -10.210 -5.978 1.00 0.00 C ATOM 424 C PHE A 28 -6.252 -10.201 -4.503 1.00 0.00 C ATOM 425 O PHE A 28 -5.764 -9.215 -3.990 1.00 0.00 O ATOM 426 CB PHE A 28 -5.933 -9.127 -6.795 1.00 0.00 C ATOM 427 CG PHE A 28 -4.509 -8.956 -6.306 1.00 0.00 C ATOM 428 CD1 PHE A 28 -3.729 -10.093 -6.002 1.00 0.00 C ATOM 429 CD2 PHE A 28 -4.001 -7.662 -6.059 1.00 0.00 C ATOM 430 CE1 PHE A 28 -2.437 -9.935 -5.455 1.00 0.00 C ATOM 431 CE2 PHE A 28 -2.705 -7.504 -5.521 1.00 0.00 C ATOM 432 CZ PHE A 28 -1.924 -8.641 -5.215 1.00 0.00 C ATOM 0 H PHE A 28 -8.545 -9.405 -5.350 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.410 -11.184 -6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.928 -9.402 -7.850 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.465 -8.179 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.120 -11.082 -6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.603 -6.794 -6.281 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.841 -10.804 -5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.311 -6.514 -5.343 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.935 -8.521 -4.798 1.00 0.00 H new ATOM 442 N TYR A 29 -6.421 -11.299 -3.821 1.00 0.00 N ATOM 443 CA TYR A 29 -6.021 -11.342 -2.390 1.00 0.00 C ATOM 444 C TYR A 29 -4.559 -10.913 -2.256 1.00 0.00 C ATOM 445 O TYR A 29 -3.697 -11.355 -2.989 1.00 0.00 O ATOM 446 CB TYR A 29 -6.188 -12.758 -1.845 1.00 0.00 C ATOM 447 CG TYR A 29 -5.762 -12.799 -0.398 1.00 0.00 C ATOM 448 CD1 TYR A 29 -6.571 -12.200 0.594 1.00 0.00 C ATOM 449 CD2 TYR A 29 -4.548 -13.425 -0.038 1.00 0.00 C ATOM 450 CE1 TYR A 29 -6.166 -12.230 1.946 1.00 0.00 C ATOM 451 CE2 TYR A 29 -4.142 -13.453 1.314 1.00 0.00 C ATOM 452 CZ TYR A 29 -4.951 -12.856 2.307 1.00 0.00 C ATOM 453 OH TYR A 29 -4.555 -12.882 3.629 1.00 0.00 O ATOM 0 H TYR A 29 -6.817 -12.163 -4.191 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.655 -10.663 -1.821 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.227 -13.073 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.590 -13.456 -2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.498 -11.720 0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.930 -13.882 -0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.785 -11.774 2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.213 -13.931 1.589 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.698 -13.351 3.705 1.00 0.00 H new ATOM 463 N THR A 30 -4.286 -10.053 -1.323 1.00 0.00 N ATOM 464 CA THR A 30 -2.888 -9.579 -1.126 1.00 0.00 C ATOM 465 C THR A 30 -2.045 -10.706 -0.526 1.00 0.00 C ATOM 466 O THR A 30 -2.560 -11.628 0.075 1.00 0.00 O ATOM 467 CB THR A 30 -2.886 -8.380 -0.175 1.00 0.00 C ATOM 468 OG1 THR A 30 -3.735 -7.366 -0.690 1.00 0.00 O ATOM 469 CG2 THR A 30 -1.463 -7.835 -0.045 1.00 0.00 C ATOM 0 H THR A 30 -4.972 -9.654 -0.683 1.00 0.00 H new ATOM 0 HA THR A 30 -2.467 -9.283 -2.087 1.00 0.00 H new ATOM 0 HB THR A 30 -3.247 -8.693 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.735 -6.599 -0.080 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.461 -6.981 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.810 -8.613 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.102 -7.522 -1.025 1.00 0.00 H new ATOM 477 N SER A 31 -0.751 -10.640 -0.684 1.00 0.00 N ATOM 478 CA SER A 31 0.124 -11.707 -0.123 1.00 0.00 C ATOM 479 C SER A 31 0.140 -11.601 1.404 1.00 0.00 C ATOM 480 O SER A 31 -0.420 -12.425 2.099 1.00 0.00 O ATOM 481 CB SER A 31 1.546 -11.535 -0.661 1.00 0.00 C ATOM 482 OG SER A 31 1.618 -12.056 -1.980 1.00 0.00 O ATOM 0 H SER A 31 -0.262 -9.893 -1.178 1.00 0.00 H new ATOM 0 HA SER A 31 -0.260 -12.684 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.822 -10.481 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.256 -12.052 -0.015 1.00 0.00 H new ATOM 0 HG SER A 31 2.528 -11.945 -2.326 1.00 0.00 H new ATOM 488 N GLY A 32 0.778 -10.591 1.931 1.00 0.00 N ATOM 489 CA GLY A 32 0.827 -10.434 3.411 1.00 0.00 C ATOM 490 C GLY A 32 2.011 -9.541 3.791 1.00 0.00 C ATOM 491 O GLY A 32 2.810 -9.882 4.641 1.00 0.00 O ATOM 0 H GLY A 32 1.266 -9.869 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.103 -9.995 3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.926 -11.409 3.888 1.00 0.00 H new ATOM 495 N LYS A 33 2.130 -8.399 3.169 1.00 0.00 N ATOM 496 CA LYS A 33 3.263 -7.488 3.498 1.00 0.00 C ATOM 497 C LYS A 33 2.895 -6.049 3.129 1.00 0.00 C ATOM 498 O LYS A 33 3.753 -5.215 2.916 1.00 0.00 O ATOM 499 CB LYS A 33 4.503 -7.915 2.710 1.00 0.00 C ATOM 500 CG LYS A 33 4.155 -8.003 1.224 1.00 0.00 C ATOM 501 CD LYS A 33 5.360 -7.570 0.391 1.00 0.00 C ATOM 502 CE LYS A 33 5.319 -8.269 -0.969 1.00 0.00 C ATOM 503 NZ LYS A 33 6.014 -9.585 -0.871 1.00 0.00 N ATOM 0 H LYS A 33 1.493 -8.058 2.449 1.00 0.00 H new ATOM 0 HA LYS A 33 3.471 -7.543 4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.310 -7.198 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.861 -8.880 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.869 -9.023 0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.299 -7.366 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.352 -6.488 0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.284 -7.820 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.286 -8.414 -1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.799 -7.647 -1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.987 -10.062 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.003 -9.435 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.537 -10.178 -0.162 1.00 0.00 H new ATOM 517 N CYS A 34 1.627 -5.747 3.056 1.00 0.00 N ATOM 518 CA CYS A 34 1.212 -4.359 2.706 1.00 0.00 C ATOM 519 C CYS A 34 0.551 -3.692 3.920 1.00 0.00 C ATOM 520 O CYS A 34 -0.027 -2.629 3.813 1.00 0.00 O ATOM 521 CB CYS A 34 0.217 -4.402 1.541 1.00 0.00 C ATOM 522 SG CYS A 34 1.073 -4.907 0.027 1.00 0.00 S ATOM 0 H CYS A 34 0.862 -6.400 3.223 1.00 0.00 H new ATOM 0 HA CYS A 34 2.091 -3.784 2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.590 -5.100 1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.239 -3.422 1.403 1.00 0.00 H new ATOM 527 N SER A 35 0.630 -4.305 5.074 1.00 0.00 N ATOM 528 CA SER A 35 0.004 -3.701 6.286 1.00 0.00 C ATOM 529 C SER A 35 -1.478 -3.422 6.021 1.00 0.00 C ATOM 530 O SER A 35 -2.094 -2.617 6.689 1.00 0.00 O ATOM 531 CB SER A 35 0.716 -2.391 6.628 1.00 0.00 C ATOM 532 OG SER A 35 0.940 -2.325 8.028 1.00 0.00 O ATOM 0 H SER A 35 1.101 -5.197 5.228 1.00 0.00 H new ATOM 0 HA SER A 35 0.095 -4.396 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.664 -2.330 6.094 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.113 -1.542 6.305 1.00 0.00 H new ATOM 0 HG SER A 35 0.082 -2.377 8.499 1.00 0.00 H new ATOM 538 N ASN A 36 -2.054 -4.085 5.054 1.00 0.00 N ATOM 539 CA ASN A 36 -3.495 -3.868 4.738 1.00 0.00 C ATOM 540 C ASN A 36 -3.958 -4.957 3.766 1.00 0.00 C ATOM 541 O ASN A 36 -4.261 -4.667 2.625 1.00 0.00 O ATOM 542 CB ASN A 36 -3.683 -2.497 4.085 1.00 0.00 C ATOM 543 CG ASN A 36 -3.918 -1.436 5.162 1.00 0.00 C ATOM 544 OD1 ASN A 36 -3.298 -0.391 5.146 1.00 0.00 O ATOM 545 ND2 ASN A 36 -4.792 -1.660 6.104 1.00 0.00 N ATOM 0 H ASN A 36 -1.584 -4.773 4.465 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.080 -3.911 5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.802 -2.241 3.496 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.529 -2.524 3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.955 -0.958 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.313 -2.537 6.118 1.00 0.00 H new ATOM 552 N PRO A 37 -4.001 -6.187 4.235 1.00 0.00 N ATOM 553 CA PRO A 37 -4.429 -7.313 3.393 1.00 0.00 C ATOM 554 C PRO A 37 -5.815 -7.029 2.822 1.00 0.00 C ATOM 555 O PRO A 37 -6.579 -6.267 3.380 1.00 0.00 O ATOM 556 CB PRO A 37 -4.463 -8.523 4.339 1.00 0.00 C ATOM 557 CG PRO A 37 -3.937 -8.053 5.721 1.00 0.00 C ATOM 558 CD PRO A 37 -3.642 -6.550 5.622 1.00 0.00 C ATOM 0 HA PRO A 37 -3.764 -7.484 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.478 -8.912 4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.845 -9.332 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.677 -8.247 6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.036 -8.602 5.994 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.229 -5.983 6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.593 -6.338 5.828 1.00 0.00 H new ATOM 566 N ALA A 38 -6.150 -7.625 1.712 1.00 0.00 N ATOM 567 CA ALA A 38 -7.489 -7.368 1.118 1.00 0.00 C ATOM 568 C ALA A 38 -7.731 -8.315 -0.050 1.00 0.00 C ATOM 569 O ALA A 38 -7.076 -9.324 -0.200 1.00 0.00 O ATOM 570 CB ALA A 38 -7.545 -5.918 0.615 1.00 0.00 C ATOM 0 H ALA A 38 -5.558 -8.275 1.194 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.257 -7.531 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.524 -5.722 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.377 -5.237 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.774 -5.765 -0.140 1.00 0.00 H new ATOM 576 N VAL A 39 -8.656 -7.966 -0.890 1.00 0.00 N ATOM 577 CA VAL A 39 -8.961 -8.785 -2.086 1.00 0.00 C ATOM 578 C VAL A 39 -9.190 -7.781 -3.189 1.00 0.00 C ATOM 579 O VAL A 39 -10.286 -7.308 -3.413 1.00 0.00 O ATOM 580 CB VAL A 39 -10.204 -9.655 -1.874 1.00 0.00 C ATOM 581 CG1 VAL A 39 -9.783 -10.966 -1.228 1.00 0.00 C ATOM 582 CG2 VAL A 39 -11.209 -8.954 -0.957 1.00 0.00 C ATOM 0 H VAL A 39 -9.227 -7.126 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.153 -9.479 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.675 -9.834 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.661 -11.593 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.078 -11.483 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.308 -10.763 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.083 -9.591 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.746 -8.762 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.515 -8.009 -1.407 1.00 0.00 H new ATOM 592 N VAL A 40 -8.136 -7.404 -3.828 1.00 0.00 N ATOM 593 CA VAL A 40 -8.234 -6.371 -4.870 1.00 0.00 C ATOM 594 C VAL A 40 -9.231 -6.799 -5.937 1.00 0.00 C ATOM 595 O VAL A 40 -9.005 -7.723 -6.688 1.00 0.00 O ATOM 596 CB VAL A 40 -6.829 -6.124 -5.431 1.00 0.00 C ATOM 597 CG1 VAL A 40 -6.858 -5.808 -6.924 1.00 0.00 C ATOM 598 CG2 VAL A 40 -6.230 -4.933 -4.692 1.00 0.00 C ATOM 0 H VAL A 40 -7.198 -7.773 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.608 -5.433 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.236 -7.028 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.842 -5.640 -7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.298 -6.646 -7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.455 -4.912 -7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.228 -4.735 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.857 -4.055 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.176 -5.156 -3.626 1.00 0.00 H new ATOM 608 N PHE A 41 -10.328 -6.115 -6.010 1.00 0.00 N ATOM 609 CA PHE A 41 -11.328 -6.466 -7.028 1.00 0.00 C ATOM 610 C PHE A 41 -10.860 -5.965 -8.372 1.00 0.00 C ATOM 611 O PHE A 41 -10.364 -4.870 -8.522 1.00 0.00 O ATOM 612 CB PHE A 41 -12.680 -5.824 -6.693 1.00 0.00 C ATOM 613 CG PHE A 41 -13.480 -6.703 -5.759 1.00 0.00 C ATOM 614 CD1 PHE A 41 -13.564 -8.097 -5.978 1.00 0.00 C ATOM 615 CD2 PHE A 41 -14.208 -6.112 -4.702 1.00 0.00 C ATOM 616 CE1 PHE A 41 -14.365 -8.899 -5.132 1.00 0.00 C ATOM 617 CE2 PHE A 41 -15.017 -6.911 -3.865 1.00 0.00 C ATOM 618 CZ PHE A 41 -15.096 -8.304 -4.078 1.00 0.00 C ATOM 0 H PHE A 41 -10.571 -5.329 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.447 -7.549 -7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -12.520 -4.849 -6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -13.243 -5.654 -7.611 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -13.016 -8.550 -6.791 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -14.145 -5.047 -4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -14.418 -9.966 -5.291 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -15.576 -6.456 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 41 -15.714 -8.915 -3.437 1.00 0.00 H new ATOM 628 N VAL A 42 -11.036 -6.774 -9.349 1.00 0.00 N ATOM 629 CA VAL A 42 -10.650 -6.404 -10.725 1.00 0.00 C ATOM 630 C VAL A 42 -11.974 -6.410 -11.506 1.00 0.00 C ATOM 631 O VAL A 42 -12.350 -7.395 -12.110 1.00 0.00 O ATOM 632 CB VAL A 42 -9.662 -7.433 -11.295 1.00 0.00 C ATOM 633 CG1 VAL A 42 -8.307 -6.762 -11.458 1.00 0.00 C ATOM 634 CG2 VAL A 42 -9.484 -8.623 -10.351 1.00 0.00 C ATOM 0 H VAL A 42 -11.442 -7.705 -9.257 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.149 -5.438 -10.780 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.055 -7.792 -12.246 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.592 -7.479 -11.862 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.399 -5.917 -12.141 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.957 -6.408 -10.488 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.778 -9.331 -10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.102 -8.273 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.445 -9.115 -10.201 1.00 0.00 H new ATOM 644 N THR A 43 -12.726 -5.347 -11.400 1.00 0.00 N ATOM 645 CA THR A 43 -14.091 -5.299 -12.029 1.00 0.00 C ATOM 646 C THR A 43 -14.061 -4.941 -13.511 1.00 0.00 C ATOM 647 O THR A 43 -13.063 -5.089 -14.185 1.00 0.00 O ATOM 648 CB THR A 43 -14.938 -4.262 -11.279 1.00 0.00 C ATOM 649 OG1 THR A 43 -14.523 -2.956 -11.651 1.00 0.00 O ATOM 650 CG2 THR A 43 -14.768 -4.438 -9.768 1.00 0.00 C ATOM 0 H THR A 43 -12.456 -4.499 -10.901 1.00 0.00 H new ATOM 0 HA THR A 43 -14.518 -6.299 -11.955 1.00 0.00 H new ATOM 0 HB THR A 43 -15.987 -4.404 -11.539 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.064 -2.293 -11.174 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.373 -3.697 -9.245 1.00 0.00 H new ATOM 0 HG22 THR A 43 -15.090 -5.439 -9.480 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.720 -4.303 -9.502 1.00 0.00 H new ATOM 658 N ARG A 44 -15.187 -4.492 -14.027 1.00 0.00 N ATOM 659 CA ARG A 44 -15.275 -4.135 -15.471 1.00 0.00 C ATOM 660 C ARG A 44 -14.085 -3.252 -15.841 1.00 0.00 C ATOM 661 O ARG A 44 -13.236 -3.645 -16.617 1.00 0.00 O ATOM 662 CB ARG A 44 -16.597 -3.410 -15.766 1.00 0.00 C ATOM 663 CG ARG A 44 -16.963 -2.453 -14.623 1.00 0.00 C ATOM 664 CD ARG A 44 -17.005 -1.020 -15.155 1.00 0.00 C ATOM 665 NE ARG A 44 -18.320 -0.771 -15.808 1.00 0.00 N ATOM 666 CZ ARG A 44 -18.521 0.334 -16.472 1.00 0.00 C ATOM 667 NH1 ARG A 44 -17.692 0.688 -17.416 1.00 0.00 N ATOM 668 NH2 ARG A 44 -19.549 1.086 -16.191 1.00 0.00 N ATOM 0 H ARG A 44 -16.050 -4.359 -13.500 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.250 -5.045 -16.071 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -16.511 -2.853 -16.699 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -17.394 -4.140 -15.904 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.931 -2.725 -14.202 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.232 -2.533 -13.819 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.852 -0.313 -14.339 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.197 -0.862 -15.869 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.064 -1.465 -15.736 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.887 0.101 -17.635 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.849 1.552 -17.935 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.196 0.810 -15.452 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.706 1.950 -16.710 1.00 0.00 H new ATOM 682 N LYS A 45 -13.967 -2.091 -15.246 1.00 0.00 N ATOM 683 CA LYS A 45 -12.769 -1.247 -15.534 1.00 0.00 C ATOM 684 C LYS A 45 -11.554 -2.108 -15.180 1.00 0.00 C ATOM 685 O LYS A 45 -10.507 -2.038 -15.791 1.00 0.00 O ATOM 686 CB LYS A 45 -12.793 0.013 -14.667 1.00 0.00 C ATOM 687 CG LYS A 45 -11.569 0.874 -14.987 1.00 0.00 C ATOM 688 CD LYS A 45 -11.672 1.394 -16.422 1.00 0.00 C ATOM 689 CE LYS A 45 -10.651 2.513 -16.634 1.00 0.00 C ATOM 690 NZ LYS A 45 -10.667 2.937 -18.063 1.00 0.00 N ATOM 0 H LYS A 45 -14.636 -1.697 -14.585 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.744 -0.927 -16.576 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.707 0.578 -14.852 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.794 -0.259 -13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.507 1.710 -14.290 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.658 0.289 -14.866 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.491 0.583 -17.128 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.679 1.765 -16.614 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.885 3.360 -15.990 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.655 2.168 -16.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.973 3.698 -18.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.424 2.127 -18.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.616 3.282 -18.312 1.00 0.00 H new ATOM 704 N ASN A 46 -11.745 -2.964 -14.210 1.00 0.00 N ATOM 705 CA ASN A 46 -10.694 -3.912 -13.783 1.00 0.00 C ATOM 706 C ASN A 46 -9.581 -3.212 -13.060 1.00 0.00 C ATOM 707 O ASN A 46 -8.543 -3.797 -12.814 1.00 0.00 O ATOM 708 CB ASN A 46 -10.133 -4.643 -15.005 1.00 0.00 C ATOM 709 CG ASN A 46 -10.424 -6.142 -14.905 1.00 0.00 C ATOM 710 OD1 ASN A 46 -11.154 -6.576 -14.041 1.00 0.00 O ATOM 711 ND2 ASN A 46 -9.878 -6.957 -15.766 1.00 0.00 N ATOM 0 H ASN A 46 -12.616 -3.041 -13.685 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.145 -4.627 -13.096 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.577 -4.239 -15.915 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.058 -4.478 -15.075 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.066 -7.958 -15.711 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.263 -6.593 -16.494 1.00 0.00 H new ATOM 718 N ARG A 47 -9.795 -2.003 -12.628 1.00 0.00 N ATOM 719 CA ARG A 47 -8.741 -1.348 -11.818 1.00 0.00 C ATOM 720 C ARG A 47 -8.543 -2.288 -10.641 1.00 0.00 C ATOM 721 O ARG A 47 -9.380 -3.143 -10.418 1.00 0.00 O ATOM 722 CB ARG A 47 -9.220 0.019 -11.334 1.00 0.00 C ATOM 723 CG ARG A 47 -8.714 1.109 -12.282 1.00 0.00 C ATOM 724 CD ARG A 47 -7.197 1.254 -12.138 1.00 0.00 C ATOM 725 NE ARG A 47 -6.890 2.462 -11.321 1.00 0.00 N ATOM 726 CZ ARG A 47 -6.082 3.376 -11.785 1.00 0.00 C ATOM 727 NH1 ARG A 47 -5.029 3.029 -12.473 1.00 0.00 N ATOM 728 NH2 ARG A 47 -6.326 4.639 -11.561 1.00 0.00 N ATOM 0 H ARG A 47 -10.636 -1.451 -12.797 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.822 -1.178 -12.378 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.309 0.039 -11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.857 0.205 -10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.969 0.856 -13.311 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.203 2.057 -12.056 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.779 0.366 -11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.734 1.339 -13.121 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.311 2.575 -10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.837 2.043 -12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.398 3.744 -12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.149 4.912 -11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.694 5.353 -11.924 1.00 0.00 H new ATOM 742 N GLN A 48 -7.476 -2.209 -9.921 1.00 0.00 N ATOM 743 CA GLN A 48 -7.329 -3.175 -8.817 1.00 0.00 C ATOM 744 C GLN A 48 -7.969 -2.587 -7.576 1.00 0.00 C ATOM 745 O GLN A 48 -7.333 -2.217 -6.611 1.00 0.00 O ATOM 746 CB GLN A 48 -5.870 -3.537 -8.633 1.00 0.00 C ATOM 747 CG GLN A 48 -5.596 -4.734 -9.546 1.00 0.00 C ATOM 748 CD GLN A 48 -4.112 -5.099 -9.497 1.00 0.00 C ATOM 749 OE1 GLN A 48 -3.431 -5.060 -10.502 1.00 0.00 O ATOM 750 NE2 GLN A 48 -3.578 -5.460 -8.361 1.00 0.00 N ATOM 0 H GLN A 48 -6.717 -1.538 -10.041 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.842 -4.110 -9.040 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.227 -2.696 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.662 -3.788 -7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.199 -5.586 -9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.887 -4.496 -10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.149 -5.493 -7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.590 -5.709 -8.318 1.00 0.00 H new ATOM 759 N VAL A 49 -9.259 -2.504 -7.649 1.00 0.00 N ATOM 760 CA VAL A 49 -10.084 -1.941 -6.559 1.00 0.00 C ATOM 761 C VAL A 49 -9.742 -2.632 -5.233 1.00 0.00 C ATOM 762 O VAL A 49 -8.849 -3.440 -5.156 1.00 0.00 O ATOM 763 CB VAL A 49 -11.580 -2.141 -6.877 1.00 0.00 C ATOM 764 CG1 VAL A 49 -12.351 -0.946 -6.325 1.00 0.00 C ATOM 765 CG2 VAL A 49 -11.855 -2.249 -8.407 1.00 0.00 C ATOM 0 H VAL A 49 -9.798 -2.818 -8.456 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.874 -0.875 -6.471 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.899 -3.077 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.413 -1.068 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.203 -0.884 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.989 -0.031 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -12.923 -2.389 -8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.526 -1.335 -8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.309 -3.099 -8.816 1.00 0.00 H new ATOM 775 N CYS A 50 -10.451 -2.295 -4.190 1.00 0.00 N ATOM 776 CA CYS A 50 -10.194 -2.889 -2.842 1.00 0.00 C ATOM 777 C CYS A 50 -11.531 -3.288 -2.213 1.00 0.00 C ATOM 778 O CYS A 50 -12.548 -2.688 -2.500 1.00 0.00 O ATOM 779 CB CYS A 50 -9.567 -1.801 -1.964 1.00 0.00 C ATOM 780 SG CYS A 50 -8.311 -2.463 -0.836 1.00 0.00 S ATOM 0 H CYS A 50 -11.214 -1.619 -4.214 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.541 -3.758 -2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -9.115 -1.040 -2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -10.349 -1.310 -1.385 1.00 0.00 H new ATOM 785 N ALA A 51 -11.555 -4.273 -1.349 1.00 0.00 N ATOM 786 CA ALA A 51 -12.855 -4.644 -0.721 1.00 0.00 C ATOM 787 C ALA A 51 -12.627 -5.368 0.594 1.00 0.00 C ATOM 788 O ALA A 51 -13.492 -6.069 1.073 1.00 0.00 O ATOM 789 CB ALA A 51 -13.653 -5.532 -1.672 1.00 0.00 C ATOM 0 H ALA A 51 -10.748 -4.824 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 51 -13.417 -3.732 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.602 -5.801 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.842 -4.993 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.085 -6.437 -1.887 1.00 0.00 H new ATOM 795 N ASN A 52 -11.492 -5.179 1.202 1.00 0.00 N ATOM 796 CA ASN A 52 -11.236 -5.839 2.508 1.00 0.00 C ATOM 797 C ASN A 52 -11.242 -7.365 2.325 1.00 0.00 C ATOM 798 O ASN A 52 -12.024 -7.884 1.555 1.00 0.00 O ATOM 799 CB ASN A 52 -12.340 -5.430 3.483 1.00 0.00 C ATOM 800 CG ASN A 52 -11.988 -5.909 4.893 1.00 0.00 C ATOM 801 OD1 ASN A 52 -12.448 -6.946 5.327 1.00 0.00 O ATOM 802 ND2 ASN A 52 -11.182 -5.194 5.628 1.00 0.00 N ATOM 0 H ASN A 52 -10.732 -4.597 0.851 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.264 -5.535 2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.461 -4.347 3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.292 -5.859 3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.938 -5.506 6.568 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.796 -4.323 5.263 1.00 0.00 H new ATOM 809 N PRO A 53 -10.364 -8.053 3.022 1.00 0.00 N ATOM 810 CA PRO A 53 -10.278 -9.512 2.908 1.00 0.00 C ATOM 811 C PRO A 53 -11.349 -10.177 3.772 1.00 0.00 C ATOM 812 O PRO A 53 -12.090 -11.024 3.320 1.00 0.00 O ATOM 813 CB PRO A 53 -8.897 -9.848 3.473 1.00 0.00 C ATOM 814 CG PRO A 53 -8.434 -8.620 4.299 1.00 0.00 C ATOM 815 CD PRO A 53 -9.384 -7.459 3.960 1.00 0.00 C ATOM 0 HA PRO A 53 -10.423 -9.856 1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.943 -10.739 4.099 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.192 -10.060 2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.462 -8.841 5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.404 -8.358 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.873 -7.071 4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.849 -6.627 3.502 1.00 0.00 H new ATOM 823 N GLU A 54 -11.416 -9.810 5.026 1.00 0.00 N ATOM 824 CA GLU A 54 -12.417 -10.435 5.936 1.00 0.00 C ATOM 825 C GLU A 54 -13.605 -9.494 6.160 1.00 0.00 C ATOM 826 O GLU A 54 -13.869 -9.069 7.267 1.00 0.00 O ATOM 827 CB GLU A 54 -11.754 -10.736 7.282 1.00 0.00 C ATOM 828 CG GLU A 54 -11.084 -9.467 7.814 1.00 0.00 C ATOM 829 CD GLU A 54 -11.386 -9.321 9.307 1.00 0.00 C ATOM 830 OE1 GLU A 54 -12.554 -9.305 9.658 1.00 0.00 O ATOM 831 OE2 GLU A 54 -10.442 -9.226 10.075 1.00 0.00 O ATOM 0 H GLU A 54 -10.820 -9.104 5.458 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.780 -11.356 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.498 -11.094 7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.016 -11.529 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.007 -9.516 7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.448 -8.595 7.271 1.00 0.00 H new ATOM 838 N LYS A 55 -14.336 -9.183 5.127 1.00 0.00 N ATOM 839 CA LYS A 55 -15.521 -8.292 5.296 1.00 0.00 C ATOM 840 C LYS A 55 -16.791 -9.109 5.041 1.00 0.00 C ATOM 841 O LYS A 55 -17.819 -8.578 4.674 1.00 0.00 O ATOM 842 CB LYS A 55 -15.444 -7.117 4.320 1.00 0.00 C ATOM 843 CG LYS A 55 -15.369 -5.805 5.106 1.00 0.00 C ATOM 844 CD LYS A 55 -16.773 -5.215 5.249 1.00 0.00 C ATOM 845 CE LYS A 55 -16.836 -4.336 6.500 1.00 0.00 C ATOM 846 NZ LYS A 55 -18.239 -3.883 6.718 1.00 0.00 N ATOM 0 H LYS A 55 -14.166 -9.505 4.174 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.538 -7.892 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.569 -7.220 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.318 -7.114 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.936 -5.983 6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.716 -5.098 4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.023 -4.627 4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.510 -6.016 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.484 -4.894 7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.178 -3.475 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.283 -3.285 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.559 -3.336 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.855 -4.711 6.845 1.00 0.00 H new ATOM 860 N LYS A 56 -16.720 -10.399 5.251 1.00 0.00 N ATOM 861 CA LYS A 56 -17.909 -11.277 5.044 1.00 0.00 C ATOM 862 C LYS A 56 -18.365 -11.234 3.580 1.00 0.00 C ATOM 863 O LYS A 56 -17.970 -12.053 2.775 1.00 0.00 O ATOM 864 CB LYS A 56 -19.050 -10.816 5.956 1.00 0.00 C ATOM 865 CG LYS A 56 -18.918 -11.494 7.320 1.00 0.00 C ATOM 866 CD LYS A 56 -19.985 -10.944 8.268 1.00 0.00 C ATOM 867 CE LYS A 56 -19.711 -11.442 9.689 1.00 0.00 C ATOM 868 NZ LYS A 56 -18.627 -10.625 10.302 1.00 0.00 N ATOM 0 H LYS A 56 -15.879 -10.886 5.561 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.634 -12.303 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -19.022 -9.733 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.012 -11.063 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -19.031 -12.573 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.924 -11.317 7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -19.979 -9.854 8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -20.975 -11.264 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -20.617 -11.373 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -19.421 -12.493 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.995 -11.242 10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.083 -10.152 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.045 -9.910 10.931 1.00 0.00 H new ATOM 882 N TRP A 57 -19.207 -10.299 3.232 1.00 0.00 N ATOM 883 CA TRP A 57 -19.713 -10.208 1.831 1.00 0.00 C ATOM 884 C TRP A 57 -18.568 -10.317 0.811 1.00 0.00 C ATOM 885 O TRP A 57 -18.785 -10.697 -0.320 1.00 0.00 O ATOM 886 CB TRP A 57 -20.464 -8.886 1.664 1.00 0.00 C ATOM 887 CG TRP A 57 -19.522 -7.752 1.740 1.00 0.00 C ATOM 888 CD1 TRP A 57 -19.370 -6.898 2.775 1.00 0.00 C ATOM 889 CD2 TRP A 57 -18.719 -7.250 0.668 1.00 0.00 C ATOM 890 NE1 TRP A 57 -18.488 -5.899 2.396 1.00 0.00 N ATOM 891 CE2 TRP A 57 -18.060 -6.071 1.096 1.00 0.00 C ATOM 892 CE3 TRP A 57 -18.504 -7.715 -0.642 1.00 0.00 C ATOM 893 CZ2 TRP A 57 -17.210 -5.361 0.234 1.00 0.00 C ATOM 894 CZ3 TRP A 57 -17.671 -7.013 -1.514 1.00 0.00 C ATOM 895 CH2 TRP A 57 -17.021 -5.833 -1.083 1.00 0.00 C ATOM 0 H TRP A 57 -19.570 -9.586 3.865 1.00 0.00 H new ATOM 0 HA TRP A 57 -20.388 -11.042 1.642 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -20.984 -8.873 0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -21.223 -8.790 2.440 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -19.855 -6.980 3.737 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -18.193 -5.133 3.002 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -18.987 -8.622 -0.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.708 -4.467 0.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -17.522 -7.372 -2.522 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.379 -5.292 -1.763 1.00 0.00 H new ATOM 906 N VAL A 58 -17.361 -10.007 1.186 1.00 0.00 N ATOM 907 CA VAL A 58 -16.236 -10.122 0.194 1.00 0.00 C ATOM 908 C VAL A 58 -15.774 -11.572 0.118 1.00 0.00 C ATOM 909 O VAL A 58 -15.615 -12.118 -0.945 1.00 0.00 O ATOM 910 CB VAL A 58 -15.024 -9.255 0.570 1.00 0.00 C ATOM 911 CG1 VAL A 58 -15.094 -7.929 -0.175 1.00 0.00 C ATOM 912 CG2 VAL A 58 -14.991 -8.995 2.063 1.00 0.00 C ATOM 0 H VAL A 58 -17.098 -9.684 2.117 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.622 -9.773 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.116 -9.789 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.234 -7.315 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -15.087 -8.114 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -16.011 -7.407 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.125 -8.380 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.901 -8.475 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.923 -9.943 2.596 1.00 0.00 H new ATOM 922 N ARG A 59 -15.539 -12.202 1.230 1.00 0.00 N ATOM 923 CA ARG A 59 -15.080 -13.617 1.180 1.00 0.00 C ATOM 924 C ARG A 59 -16.170 -14.476 0.525 1.00 0.00 C ATOM 925 O ARG A 59 -15.905 -15.545 0.012 1.00 0.00 O ATOM 926 CB ARG A 59 -14.813 -14.123 2.600 1.00 0.00 C ATOM 927 CG ARG A 59 -13.924 -13.123 3.339 1.00 0.00 C ATOM 928 CD ARG A 59 -13.404 -13.754 4.633 1.00 0.00 C ATOM 929 NE ARG A 59 -14.431 -13.613 5.704 1.00 0.00 N ATOM 930 CZ ARG A 59 -14.063 -13.508 6.952 1.00 0.00 C ATOM 931 NH1 ARG A 59 -12.980 -14.109 7.365 1.00 0.00 N ATOM 932 NH2 ARG A 59 -14.777 -12.804 7.786 1.00 0.00 N ATOM 0 H ARG A 59 -15.643 -11.805 2.164 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.161 -13.683 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.754 -14.253 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.329 -15.099 2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.088 -12.827 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.488 -12.218 3.565 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.176 -14.807 4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.476 -13.270 4.938 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.422 -13.599 5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.422 -14.660 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.692 -14.027 8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.623 -12.335 7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.489 -12.722 8.761 1.00 0.00 H new ATOM 946 N GLU A 60 -17.391 -14.011 0.535 1.00 0.00 N ATOM 947 CA GLU A 60 -18.503 -14.786 -0.088 1.00 0.00 C ATOM 948 C GLU A 60 -18.671 -14.356 -1.549 1.00 0.00 C ATOM 949 O GLU A 60 -19.258 -15.057 -2.349 1.00 0.00 O ATOM 950 CB GLU A 60 -19.800 -14.503 0.673 1.00 0.00 C ATOM 951 CG GLU A 60 -20.295 -15.783 1.346 1.00 0.00 C ATOM 952 CD GLU A 60 -21.747 -16.046 0.939 1.00 0.00 C ATOM 953 OE1 GLU A 60 -21.949 -16.648 -0.102 1.00 0.00 O ATOM 954 OE2 GLU A 60 -22.630 -15.636 1.673 1.00 0.00 O ATOM 0 H GLU A 60 -17.667 -13.122 0.951 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.274 -15.851 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.632 -13.729 1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -20.559 -14.124 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.667 -16.625 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -20.221 -15.689 2.429 1.00 0.00 H new ATOM 961 N TYR A 61 -18.154 -13.212 -1.902 1.00 0.00 N ATOM 962 CA TYR A 61 -18.271 -12.728 -3.304 1.00 0.00 C ATOM 963 C TYR A 61 -17.137 -13.347 -4.118 1.00 0.00 C ATOM 964 O TYR A 61 -17.354 -14.053 -5.083 1.00 0.00 O ATOM 965 CB TYR A 61 -18.153 -11.198 -3.302 1.00 0.00 C ATOM 966 CG TYR A 61 -19.526 -10.577 -3.143 1.00 0.00 C ATOM 967 CD1 TYR A 61 -20.482 -11.180 -2.291 1.00 0.00 C ATOM 968 CD2 TYR A 61 -19.835 -9.362 -3.799 1.00 0.00 C ATOM 969 CE1 TYR A 61 -21.739 -10.572 -2.094 1.00 0.00 C ATOM 970 CE2 TYR A 61 -21.101 -8.760 -3.607 1.00 0.00 C ATOM 971 CZ TYR A 61 -22.049 -9.363 -2.753 1.00 0.00 C ATOM 972 OH TYR A 61 -23.278 -8.766 -2.557 1.00 0.00 O ATOM 0 H TYR A 61 -17.651 -12.587 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 61 -19.228 -13.012 -3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -17.502 -10.875 -2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -17.696 -10.858 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -20.248 -12.108 -1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -19.106 -8.895 -4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -22.464 -11.031 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -21.342 -7.838 -4.115 1.00 0.00 H new ATOM 0 HH TYR A 61 -23.329 -7.941 -3.083 1.00 0.00 H new ATOM 982 N ILE A 62 -15.927 -13.102 -3.707 1.00 0.00 N ATOM 983 CA ILE A 62 -14.744 -13.674 -4.402 1.00 0.00 C ATOM 984 C ILE A 62 -14.967 -15.178 -4.640 1.00 0.00 C ATOM 985 O ILE A 62 -14.827 -15.670 -5.741 1.00 0.00 O ATOM 986 CB ILE A 62 -13.514 -13.443 -3.502 1.00 0.00 C ATOM 987 CG1 ILE A 62 -13.045 -11.995 -3.653 1.00 0.00 C ATOM 988 CG2 ILE A 62 -12.369 -14.383 -3.884 1.00 0.00 C ATOM 989 CD1 ILE A 62 -13.653 -11.141 -2.539 1.00 0.00 C ATOM 0 H ILE A 62 -15.704 -12.517 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 62 -14.590 -13.196 -5.370 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.799 -13.645 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.957 -11.948 -3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -13.342 -11.606 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.514 -14.198 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.694 -15.417 -3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.082 -14.204 -4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.318 -10.109 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.740 -11.178 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.334 -11.526 -1.570 1.00 0.00 H new ATOM 1001 N ASN A 63 -15.307 -15.907 -3.611 1.00 0.00 N ATOM 1002 CA ASN A 63 -15.533 -17.372 -3.775 1.00 0.00 C ATOM 1003 C ASN A 63 -16.549 -17.614 -4.892 1.00 0.00 C ATOM 1004 O ASN A 63 -16.376 -18.483 -5.723 1.00 0.00 O ATOM 1005 CB ASN A 63 -16.066 -17.956 -2.465 1.00 0.00 C ATOM 1006 CG ASN A 63 -15.269 -19.209 -2.101 1.00 0.00 C ATOM 1007 OD1 ASN A 63 -15.459 -20.256 -2.687 1.00 0.00 O ATOM 1008 ND2 ASN A 63 -14.375 -19.148 -1.151 1.00 0.00 N ATOM 0 H ASN A 63 -15.438 -15.551 -2.664 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.591 -17.856 -4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.987 -17.218 -1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.123 -18.202 -2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.838 -19.979 -0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.214 -18.270 -0.658 1.00 0.00 H new ATOM 1015 N SER A 64 -17.608 -16.851 -4.921 1.00 0.00 N ATOM 1016 CA SER A 64 -18.631 -17.038 -5.988 1.00 0.00 C ATOM 1017 C SER A 64 -17.958 -16.935 -7.358 1.00 0.00 C ATOM 1018 O SER A 64 -18.289 -17.654 -8.281 1.00 0.00 O ATOM 1019 CB SER A 64 -19.706 -15.956 -5.863 1.00 0.00 C ATOM 1020 OG SER A 64 -20.558 -16.256 -4.768 1.00 0.00 O ATOM 0 H SER A 64 -17.808 -16.107 -4.252 1.00 0.00 H new ATOM 0 HA SER A 64 -19.093 -18.019 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 64 -19.240 -14.981 -5.718 1.00 0.00 H new ATOM 0 HB3 SER A 64 -20.287 -15.898 -6.784 1.00 0.00 H new ATOM 0 HG SER A 64 -20.176 -15.885 -3.945 1.00 0.00 H new ATOM 1026 N LEU A 65 -17.014 -16.045 -7.496 1.00 0.00 N ATOM 1027 CA LEU A 65 -16.316 -15.896 -8.805 1.00 0.00 C ATOM 1028 C LEU A 65 -15.549 -17.181 -9.122 1.00 0.00 C ATOM 1029 O LEU A 65 -15.351 -18.023 -8.267 1.00 0.00 O ATOM 1030 CB LEU A 65 -15.336 -14.723 -8.729 1.00 0.00 C ATOM 1031 CG LEU A 65 -16.094 -13.444 -8.368 1.00 0.00 C ATOM 1032 CD1 LEU A 65 -15.100 -12.364 -7.937 1.00 0.00 C ATOM 1033 CD2 LEU A 65 -16.880 -12.956 -9.588 1.00 0.00 C ATOM 0 H LEU A 65 -16.696 -15.415 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 65 -17.049 -15.707 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.568 -14.925 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.827 -14.599 -9.685 1.00 0.00 H new ATOM 0 HG LEU A 65 -16.783 -13.650 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.641 -11.453 -7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.540 -12.711 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -14.410 -12.157 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.420 -12.045 -9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -16.190 -12.751 -10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.589 -13.724 -9.895 1.00 0.00 H new ATOM 1147 N SER B 5 -10.665 3.372 -4.176 1.00 0.00 N ATOM 1148 CA SER B 5 -9.990 2.342 -3.336 1.00 0.00 C ATOM 1149 C SER B 5 -9.480 1.211 -4.230 1.00 0.00 C ATOM 1150 O SER B 5 -10.197 0.284 -4.542 1.00 0.00 O ATOM 1151 CB SER B 5 -10.987 1.780 -2.321 1.00 0.00 C ATOM 1152 OG SER B 5 -11.292 2.776 -1.356 1.00 0.00 O ATOM 0 HA SER B 5 -9.151 2.795 -2.808 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.897 1.459 -2.828 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.568 0.901 -1.832 1.00 0.00 H new ATOM 0 HG SER B 5 -11.624 2.349 -0.539 1.00 0.00 H new ATOM 1158 N ASP B 6 -8.247 1.281 -4.649 1.00 0.00 N ATOM 1159 CA ASP B 6 -7.695 0.209 -5.523 1.00 0.00 C ATOM 1160 C ASP B 6 -6.257 -0.089 -5.105 1.00 0.00 C ATOM 1161 O ASP B 6 -5.878 0.123 -3.971 1.00 0.00 O ATOM 1162 CB ASP B 6 -7.739 0.669 -6.985 1.00 0.00 C ATOM 1163 CG ASP B 6 -6.800 1.862 -7.185 1.00 0.00 C ATOM 1164 OD1 ASP B 6 -6.470 2.504 -6.201 1.00 0.00 O ATOM 1165 OD2 ASP B 6 -6.426 2.112 -8.319 1.00 0.00 O ATOM 0 H ASP B 6 -7.598 2.035 -4.424 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.291 -0.698 -5.421 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -7.446 -0.150 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -8.757 0.947 -7.257 1.00 0.00 H new ATOM 1170 N THR B 7 -5.454 -0.591 -6.001 1.00 0.00 N ATOM 1171 CA THR B 7 -4.055 -0.914 -5.628 1.00 0.00 C ATOM 1172 C THR B 7 -3.226 0.370 -5.534 1.00 0.00 C ATOM 1173 O THR B 7 -3.513 1.356 -6.184 1.00 0.00 O ATOM 1174 CB THR B 7 -3.448 -1.848 -6.678 1.00 0.00 C ATOM 1175 OG1 THR B 7 -2.133 -2.212 -6.283 1.00 0.00 O ATOM 1176 CG2 THR B 7 -3.395 -1.135 -8.031 1.00 0.00 C ATOM 0 H THR B 7 -5.707 -0.790 -6.969 1.00 0.00 H new ATOM 0 HA THR B 7 -4.049 -1.409 -4.657 1.00 0.00 H new ATOM 0 HB THR B 7 -4.064 -2.743 -6.765 1.00 0.00 H new ATOM 0 HG1 THR B 7 -1.744 -2.811 -6.954 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.963 -1.802 -8.777 1.00 0.00 H new ATOM 0 HG22 THR B 7 -4.404 -0.856 -8.335 1.00 0.00 H new ATOM 0 HG23 THR B 7 -2.781 -0.239 -7.946 1.00 0.00 H new ATOM 1184 N THR B 8 -2.199 0.364 -4.725 1.00 0.00 N ATOM 1185 CA THR B 8 -1.349 1.581 -4.585 1.00 0.00 C ATOM 1186 C THR B 8 0.112 1.228 -4.916 1.00 0.00 C ATOM 1187 O THR B 8 0.735 0.472 -4.197 1.00 0.00 O ATOM 1188 CB THR B 8 -1.433 2.096 -3.146 1.00 0.00 C ATOM 1189 OG1 THR B 8 -2.795 2.286 -2.789 1.00 0.00 O ATOM 1190 CG2 THR B 8 -0.685 3.425 -3.037 1.00 0.00 C ATOM 0 H THR B 8 -1.913 -0.432 -4.155 1.00 0.00 H new ATOM 0 HA THR B 8 -1.701 2.351 -5.271 1.00 0.00 H new ATOM 0 HB THR B 8 -0.981 1.369 -2.472 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.850 2.595 -1.861 1.00 0.00 H new ATOM 0 HG21 THR B 8 -0.744 3.793 -2.013 1.00 0.00 H new ATOM 0 HG22 THR B 8 0.360 3.278 -3.310 1.00 0.00 H new ATOM 0 HG23 THR B 8 -1.137 4.153 -3.711 1.00 0.00 H new ATOM 1198 N PRO B 9 0.624 1.782 -5.998 1.00 0.00 N ATOM 1199 CA PRO B 9 2.011 1.526 -6.427 1.00 0.00 C ATOM 1200 C PRO B 9 3.010 2.030 -5.381 1.00 0.00 C ATOM 1201 O PRO B 9 3.052 3.202 -5.064 1.00 0.00 O ATOM 1202 CB PRO B 9 2.169 2.318 -7.733 1.00 0.00 C ATOM 1203 CG PRO B 9 0.834 3.059 -7.999 1.00 0.00 C ATOM 1204 CD PRO B 9 -0.131 2.698 -6.877 1.00 0.00 C ATOM 0 HA PRO B 9 2.205 0.461 -6.556 1.00 0.00 H new ATOM 0 HB2 PRO B 9 2.991 3.029 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO B 9 2.406 1.649 -8.560 1.00 0.00 H new ATOM 0 HG2 PRO B 9 0.995 4.136 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO B 9 0.422 2.769 -8.965 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -0.455 3.586 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -1.028 2.218 -7.268 1.00 0.00 H new ATOM 1212 N CYS B 10 3.821 1.152 -4.857 1.00 0.00 N ATOM 1213 CA CYS B 10 4.834 1.563 -3.839 1.00 0.00 C ATOM 1214 C CYS B 10 5.564 0.325 -3.344 1.00 0.00 C ATOM 1215 O CYS B 10 4.988 -0.737 -3.225 1.00 0.00 O ATOM 1216 CB CYS B 10 4.149 2.254 -2.656 1.00 0.00 C ATOM 1217 SG CYS B 10 2.908 1.149 -1.936 1.00 0.00 S ATOM 0 H CYS B 10 3.826 0.159 -5.091 1.00 0.00 H new ATOM 0 HA CYS B 10 5.538 2.260 -4.294 1.00 0.00 H new ATOM 0 HB2 CYS B 10 4.889 2.525 -1.903 1.00 0.00 H new ATOM 0 HB3 CYS B 10 3.677 3.179 -2.987 1.00 0.00 H new ATOM 1222 N CYS B 11 6.831 0.445 -3.059 1.00 0.00 N ATOM 1223 CA CYS B 11 7.571 -0.747 -2.582 1.00 0.00 C ATOM 1224 C CYS B 11 7.692 -0.711 -1.055 1.00 0.00 C ATOM 1225 O CYS B 11 7.715 0.341 -0.447 1.00 0.00 O ATOM 1226 CB CYS B 11 8.943 -0.838 -3.251 1.00 0.00 C ATOM 1227 SG CYS B 11 10.000 0.575 -2.868 1.00 0.00 S ATOM 0 H CYS B 11 7.376 1.304 -3.135 1.00 0.00 H new ATOM 0 HA CYS B 11 7.015 -1.643 -2.859 1.00 0.00 H new ATOM 0 HB2 CYS B 11 9.439 -1.755 -2.931 1.00 0.00 H new ATOM 0 HB3 CYS B 11 8.812 -0.907 -4.331 1.00 0.00 H new ATOM 1232 N PHE B 12 7.733 -1.860 -0.430 1.00 0.00 N ATOM 1233 CA PHE B 12 7.808 -1.901 1.058 1.00 0.00 C ATOM 1234 C PHE B 12 9.241 -2.191 1.529 1.00 0.00 C ATOM 1235 O PHE B 12 9.746 -1.550 2.430 1.00 0.00 O ATOM 1236 CB PHE B 12 6.852 -2.989 1.582 1.00 0.00 C ATOM 1237 CG PHE B 12 7.394 -4.367 1.263 1.00 0.00 C ATOM 1238 CD1 PHE B 12 7.251 -4.905 -0.036 1.00 0.00 C ATOM 1239 CD2 PHE B 12 8.088 -5.095 2.256 1.00 0.00 C ATOM 1240 CE1 PHE B 12 7.805 -6.168 -0.343 1.00 0.00 C ATOM 1241 CE2 PHE B 12 8.631 -6.363 1.952 1.00 0.00 C ATOM 1242 CZ PHE B 12 8.494 -6.898 0.652 1.00 0.00 C ATOM 0 H PHE B 12 7.718 -2.771 -0.888 1.00 0.00 H new ATOM 0 HA PHE B 12 7.514 -0.928 1.452 1.00 0.00 H new ATOM 0 HB2 PHE B 12 6.725 -2.882 2.659 1.00 0.00 H new ATOM 0 HB3 PHE B 12 5.868 -2.865 1.131 1.00 0.00 H new ATOM 0 HD1 PHE B 12 6.718 -4.351 -0.794 1.00 0.00 H new ATOM 0 HD2 PHE B 12 8.203 -4.682 3.247 1.00 0.00 H new ATOM 0 HE1 PHE B 12 7.702 -6.576 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE B 12 9.151 -6.924 2.714 1.00 0.00 H new ATOM 0 HZ PHE B 12 8.916 -7.864 0.418 1.00 0.00 H new ATOM 1252 N ALA B 13 9.892 -3.161 0.946 1.00 0.00 N ATOM 1253 CA ALA B 13 11.277 -3.490 1.389 1.00 0.00 C ATOM 1254 C ALA B 13 12.292 -2.764 0.524 1.00 0.00 C ATOM 1255 O ALA B 13 12.252 -2.823 -0.690 1.00 0.00 O ATOM 1256 CB ALA B 13 11.503 -5.000 1.289 1.00 0.00 C ATOM 0 H ALA B 13 9.528 -3.737 0.187 1.00 0.00 H new ATOM 0 HA ALA B 13 11.402 -3.170 2.424 1.00 0.00 H new ATOM 0 HB1 ALA B 13 12.516 -5.239 1.613 1.00 0.00 H new ATOM 0 HB2 ALA B 13 10.786 -5.518 1.926 1.00 0.00 H new ATOM 0 HB3 ALA B 13 11.368 -5.321 0.256 1.00 0.00 H new ATOM 1262 N TYR B 14 13.208 -2.076 1.145 1.00 0.00 N ATOM 1263 CA TYR B 14 14.232 -1.341 0.363 1.00 0.00 C ATOM 1264 C TYR B 14 15.244 -2.344 -0.196 1.00 0.00 C ATOM 1265 O TYR B 14 15.378 -3.444 0.303 1.00 0.00 O ATOM 1266 CB TYR B 14 14.959 -0.318 1.251 1.00 0.00 C ATOM 1267 CG TYR B 14 14.012 0.256 2.283 1.00 0.00 C ATOM 1268 CD1 TYR B 14 12.839 0.931 1.872 1.00 0.00 C ATOM 1269 CD2 TYR B 14 14.297 0.110 3.659 1.00 0.00 C ATOM 1270 CE1 TYR B 14 11.955 1.461 2.838 1.00 0.00 C ATOM 1271 CE2 TYR B 14 13.412 0.641 4.624 1.00 0.00 C ATOM 1272 CZ TYR B 14 12.242 1.317 4.215 1.00 0.00 C ATOM 1273 OH TYR B 14 11.378 1.835 5.158 1.00 0.00 O ATOM 0 H TYR B 14 13.290 -1.993 2.158 1.00 0.00 H new ATOM 0 HA TYR B 14 13.743 -0.806 -0.452 1.00 0.00 H new ATOM 0 HB2 TYR B 14 15.803 -0.795 1.749 1.00 0.00 H new ATOM 0 HB3 TYR B 14 15.364 0.484 0.635 1.00 0.00 H new ATOM 0 HD1 TYR B 14 12.619 1.041 0.820 1.00 0.00 H new ATOM 0 HD2 TYR B 14 15.191 -0.407 3.973 1.00 0.00 H new ATOM 0 HE1 TYR B 14 11.059 1.977 2.525 1.00 0.00 H new ATOM 0 HE2 TYR B 14 13.631 0.530 5.676 1.00 0.00 H new ATOM 0 HH TYR B 14 11.723 1.648 6.056 1.00 0.00 H new ATOM 1283 N ILE B 15 15.957 -1.979 -1.224 1.00 0.00 N ATOM 1284 CA ILE B 15 16.954 -2.920 -1.805 1.00 0.00 C ATOM 1285 C ILE B 15 18.151 -3.059 -0.859 1.00 0.00 C ATOM 1286 O ILE B 15 18.908 -4.005 -0.939 1.00 0.00 O ATOM 1287 CB ILE B 15 17.434 -2.386 -3.156 1.00 0.00 C ATOM 1288 CG1 ILE B 15 18.449 -3.359 -3.759 1.00 0.00 C ATOM 1289 CG2 ILE B 15 18.093 -1.019 -2.959 1.00 0.00 C ATOM 1290 CD1 ILE B 15 17.796 -4.732 -3.939 1.00 0.00 C ATOM 0 H ILE B 15 15.893 -1.072 -1.686 1.00 0.00 H new ATOM 0 HA ILE B 15 16.488 -3.896 -1.942 1.00 0.00 H new ATOM 0 HB ILE B 15 16.583 -2.286 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE B 15 18.802 -2.984 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE B 15 19.320 -3.441 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE B 15 18.435 -0.638 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE B 15 17.370 -0.325 -2.530 1.00 0.00 H new ATOM 0 HG23 ILE B 15 18.944 -1.119 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE B 15 18.519 -5.425 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE B 15 17.465 -5.107 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE B 15 16.939 -4.642 -4.606 1.00 0.00 H new ATOM 1302 N ALA B 16 18.334 -2.122 0.034 1.00 0.00 N ATOM 1303 CA ALA B 16 19.487 -2.209 0.975 1.00 0.00 C ATOM 1304 C ALA B 16 20.783 -2.340 0.172 1.00 0.00 C ATOM 1305 O ALA B 16 21.486 -3.326 0.262 1.00 0.00 O ATOM 1306 CB ALA B 16 19.320 -3.431 1.880 1.00 0.00 C ATOM 0 H ALA B 16 17.737 -1.304 0.152 1.00 0.00 H new ATOM 0 HA ALA B 16 19.526 -1.310 1.590 1.00 0.00 H new ATOM 0 HB1 ALA B 16 20.164 -3.493 2.567 1.00 0.00 H new ATOM 0 HB2 ALA B 16 18.395 -3.339 2.449 1.00 0.00 H new ATOM 0 HB3 ALA B 16 19.282 -4.333 1.270 1.00 0.00 H new ATOM 1312 N ARG B 17 21.096 -1.352 -0.620 1.00 0.00 N ATOM 1313 CA ARG B 17 22.337 -1.410 -1.441 1.00 0.00 C ATOM 1314 C ARG B 17 22.364 -0.196 -2.384 1.00 0.00 C ATOM 1315 O ARG B 17 21.646 -0.178 -3.364 1.00 0.00 O ATOM 1316 CB ARG B 17 22.337 -2.697 -2.271 1.00 0.00 C ATOM 1317 CG ARG B 17 23.511 -3.579 -1.846 1.00 0.00 C ATOM 1318 CD ARG B 17 23.689 -4.712 -2.858 1.00 0.00 C ATOM 1319 NE ARG B 17 24.331 -4.180 -4.093 1.00 0.00 N ATOM 1320 CZ ARG B 17 23.993 -4.654 -5.261 1.00 0.00 C ATOM 1321 NH1 ARG B 17 22.733 -4.836 -5.550 1.00 0.00 N ATOM 1322 NH2 ARG B 17 24.912 -4.945 -6.139 1.00 0.00 N ATOM 0 H ARG B 17 20.542 -0.503 -0.734 1.00 0.00 H new ATOM 0 HA ARG B 17 23.213 -1.397 -0.792 1.00 0.00 H new ATOM 0 HB2 ARG B 17 21.398 -3.232 -2.132 1.00 0.00 H new ATOM 0 HB3 ARG B 17 22.413 -2.458 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG B 17 24.423 -2.985 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG B 17 23.331 -3.989 -0.852 1.00 0.00 H new ATOM 0 HD2 ARG B 17 24.303 -5.504 -2.429 1.00 0.00 H new ATOM 0 HD3 ARG B 17 22.722 -5.153 -3.099 1.00 0.00 H new ATOM 0 HE ARG B 17 25.035 -3.445 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG B 17 22.014 -4.608 -4.863 1.00 0.00 H new ATOM 0 HH12 ARG B 17 22.467 -5.206 -6.463 1.00 0.00 H new ATOM 0 HH21 ARG B 17 25.896 -4.802 -5.913 1.00 0.00 H new ATOM 0 HH22 ARG B 17 24.646 -5.315 -7.052 1.00 0.00 H new ATOM 1336 N PRO B 18 23.176 0.794 -2.072 1.00 0.00 N ATOM 1337 CA PRO B 18 23.264 2.003 -2.905 1.00 0.00 C ATOM 1338 C PRO B 18 23.634 1.641 -4.343 1.00 0.00 C ATOM 1339 O PRO B 18 24.792 1.604 -4.709 1.00 0.00 O ATOM 1340 CB PRO B 18 24.367 2.851 -2.263 1.00 0.00 C ATOM 1341 CG PRO B 18 24.869 2.099 -1.004 1.00 0.00 C ATOM 1342 CD PRO B 18 24.065 0.796 -0.889 1.00 0.00 C ATOM 0 HA PRO B 18 22.314 2.535 -2.952 1.00 0.00 H new ATOM 0 HB2 PRO B 18 25.185 3.009 -2.965 1.00 0.00 H new ATOM 0 HB3 PRO B 18 23.984 3.835 -1.993 1.00 0.00 H new ATOM 0 HG2 PRO B 18 25.935 1.885 -1.085 1.00 0.00 H new ATOM 0 HG3 PRO B 18 24.734 2.712 -0.113 1.00 0.00 H new ATOM 0 HD2 PRO B 18 24.721 -0.074 -0.886 1.00 0.00 H new ATOM 0 HD3 PRO B 18 23.491 0.766 0.037 1.00 0.00 H new ATOM 1350 N LEU B 19 22.655 1.383 -5.166 1.00 0.00 N ATOM 1351 CA LEU B 19 22.952 1.034 -6.587 1.00 0.00 C ATOM 1352 C LEU B 19 23.216 2.335 -7.370 1.00 0.00 C ATOM 1353 O LEU B 19 22.460 3.277 -7.243 1.00 0.00 O ATOM 1354 CB LEU B 19 21.769 0.279 -7.215 1.00 0.00 C ATOM 1355 CG LEU B 19 20.441 0.899 -6.769 1.00 0.00 C ATOM 1356 CD1 LEU B 19 19.454 0.880 -7.936 1.00 0.00 C ATOM 1357 CD2 LEU B 19 19.865 0.087 -5.606 1.00 0.00 C ATOM 0 H LEU B 19 21.666 1.398 -4.919 1.00 0.00 H new ATOM 0 HA LEU B 19 23.829 0.388 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU B 19 21.845 0.311 -8.302 1.00 0.00 H new ATOM 0 HB3 LEU B 19 21.803 -0.771 -6.923 1.00 0.00 H new ATOM 0 HG LEU B 19 20.609 1.927 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU B 19 18.509 1.321 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU B 19 19.862 1.455 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU B 19 19.286 -0.149 -8.254 1.00 0.00 H new ATOM 0 HD21 LEU B 19 18.920 0.527 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU B 19 19.696 -0.941 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU B 19 20.568 0.095 -4.773 1.00 0.00 H new ATOM 1369 N PRO B 20 24.285 2.366 -8.149 1.00 0.00 N ATOM 1370 CA PRO B 20 24.642 3.569 -8.924 1.00 0.00 C ATOM 1371 C PRO B 20 23.492 3.996 -9.838 1.00 0.00 C ATOM 1372 O PRO B 20 22.911 3.194 -10.541 1.00 0.00 O ATOM 1373 CB PRO B 20 25.864 3.154 -9.758 1.00 0.00 C ATOM 1374 CG PRO B 20 26.233 1.701 -9.365 1.00 0.00 C ATOM 1375 CD PRO B 20 25.208 1.223 -8.327 1.00 0.00 C ATOM 0 HA PRO B 20 24.851 4.420 -8.276 1.00 0.00 H new ATOM 0 HB2 PRO B 20 25.639 3.217 -10.823 1.00 0.00 H new ATOM 0 HB3 PRO B 20 26.702 3.825 -9.569 1.00 0.00 H new ATOM 0 HG2 PRO B 20 26.220 1.053 -10.241 1.00 0.00 H new ATOM 0 HG3 PRO B 20 27.241 1.661 -8.953 1.00 0.00 H new ATOM 0 HD2 PRO B 20 24.677 0.337 -8.675 1.00 0.00 H new ATOM 0 HD3 PRO B 20 25.692 0.956 -7.388 1.00 0.00 H new ATOM 1383 N ARG B 21 23.163 5.261 -9.829 1.00 0.00 N ATOM 1384 CA ARG B 21 22.052 5.752 -10.694 1.00 0.00 C ATOM 1385 C ARG B 21 22.295 5.315 -12.144 1.00 0.00 C ATOM 1386 O ARG B 21 21.377 5.213 -12.932 1.00 0.00 O ATOM 1387 CB ARG B 21 21.960 7.286 -10.607 1.00 0.00 C ATOM 1388 CG ARG B 21 23.121 7.953 -11.361 1.00 0.00 C ATOM 1389 CD ARG B 21 24.433 7.702 -10.618 1.00 0.00 C ATOM 1390 NE ARG B 21 25.427 8.745 -10.998 1.00 0.00 N ATOM 1391 CZ ARG B 21 26.479 8.946 -10.254 1.00 0.00 C ATOM 1392 NH1 ARG B 21 27.417 8.042 -10.192 1.00 0.00 N ATOM 1393 NH2 ARG B 21 26.595 10.053 -9.572 1.00 0.00 N ATOM 0 H ARG B 21 23.616 5.975 -9.259 1.00 0.00 H new ATOM 0 HA ARG B 21 21.110 5.325 -10.349 1.00 0.00 H new ATOM 0 HB2 ARG B 21 21.011 7.621 -11.025 1.00 0.00 H new ATOM 0 HB3 ARG B 21 21.975 7.596 -9.562 1.00 0.00 H new ATOM 0 HG2 ARG B 21 23.185 7.556 -12.374 1.00 0.00 H new ATOM 0 HG3 ARG B 21 22.942 9.025 -11.449 1.00 0.00 H new ATOM 0 HD2 ARG B 21 24.263 7.722 -9.542 1.00 0.00 H new ATOM 0 HD3 ARG B 21 24.818 6.712 -10.862 1.00 0.00 H new ATOM 0 HE ARG B 21 25.285 9.302 -11.840 1.00 0.00 H new ATOM 0 HH11 ARG B 21 27.328 7.177 -10.726 1.00 0.00 H new ATOM 0 HH12 ARG B 21 28.240 8.200 -9.610 1.00 0.00 H new ATOM 0 HH21 ARG B 21 25.863 10.761 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG B 21 27.418 10.210 -8.990 1.00 0.00 H new ATOM 1407 N ALA B 22 23.526 5.056 -12.498 1.00 0.00 N ATOM 1408 CA ALA B 22 23.823 4.624 -13.895 1.00 0.00 C ATOM 1409 C ALA B 22 22.942 3.429 -14.250 1.00 0.00 C ATOM 1410 O ALA B 22 22.246 3.432 -15.246 1.00 0.00 O ATOM 1411 CB ALA B 22 25.297 4.227 -14.006 1.00 0.00 C ATOM 0 H ALA B 22 24.336 5.125 -11.882 1.00 0.00 H new ATOM 0 HA ALA B 22 23.619 5.445 -14.583 1.00 0.00 H new ATOM 0 HB1 ALA B 22 25.513 3.912 -15.027 1.00 0.00 H new ATOM 0 HB2 ALA B 22 25.924 5.081 -13.750 1.00 0.00 H new ATOM 0 HB3 ALA B 22 25.505 3.405 -13.321 1.00 0.00 H new ATOM 1417 N HIS B 23 22.956 2.411 -13.437 1.00 0.00 N ATOM 1418 CA HIS B 23 22.106 1.228 -13.724 1.00 0.00 C ATOM 1419 C HIS B 23 20.640 1.629 -13.580 1.00 0.00 C ATOM 1420 O HIS B 23 19.767 1.035 -14.178 1.00 0.00 O ATOM 1421 CB HIS B 23 22.428 0.107 -12.735 1.00 0.00 C ATOM 1422 CG HIS B 23 23.917 -0.077 -12.647 1.00 0.00 C ATOM 1423 ND1 HIS B 23 24.519 -0.761 -11.598 1.00 0.00 N ATOM 1424 CD2 HIS B 23 24.941 0.319 -13.474 1.00 0.00 C ATOM 1425 CE1 HIS B 23 25.840 -0.758 -11.814 1.00 0.00 C ATOM 1426 NE2 HIS B 23 26.153 -0.111 -12.947 1.00 0.00 N ATOM 0 H HIS B 23 23.519 2.349 -12.588 1.00 0.00 H new ATOM 0 HA HIS B 23 22.298 0.874 -14.737 1.00 0.00 H new ATOM 0 HB2 HIS B 23 22.023 0.348 -11.752 1.00 0.00 H new ATOM 0 HB3 HIS B 23 21.955 -0.821 -13.056 1.00 0.00 H new ATOM 0 HD2 HIS B 23 24.822 0.877 -14.391 1.00 0.00 H new ATOM 0 HE1 HIS B 23 26.564 -1.219 -11.158 1.00 0.00 H new ATOM 0 HE2 HIS B 23 27.084 0.034 -13.339 1.00 0.00 H new ATOM 1434 N ILE B 24 20.360 2.640 -12.797 1.00 0.00 N ATOM 1435 CA ILE B 24 18.943 3.068 -12.628 1.00 0.00 C ATOM 1436 C ILE B 24 18.565 4.052 -13.735 1.00 0.00 C ATOM 1437 O ILE B 24 19.413 4.636 -14.380 1.00 0.00 O ATOM 1438 CB ILE B 24 18.746 3.773 -11.286 1.00 0.00 C ATOM 1439 CG1 ILE B 24 19.465 3.020 -10.169 1.00 0.00 C ATOM 1440 CG2 ILE B 24 17.253 3.842 -10.961 1.00 0.00 C ATOM 1441 CD1 ILE B 24 19.506 3.896 -8.916 1.00 0.00 C ATOM 0 H ILE B 24 21.047 3.182 -12.272 1.00 0.00 H new ATOM 0 HA ILE B 24 18.317 2.177 -12.672 1.00 0.00 H new ATOM 0 HB ILE B 24 19.162 4.778 -11.359 1.00 0.00 H new ATOM 0 HG12 ILE B 24 18.950 2.083 -9.956 1.00 0.00 H new ATOM 0 HG13 ILE B 24 20.477 2.763 -10.481 1.00 0.00 H new ATOM 0 HG21 ILE B 24 17.112 4.345 -10.004 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.736 4.398 -11.743 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.846 2.832 -10.904 1.00 0.00 H new ATOM 0 HD11 ILE B 24 20.019 3.362 -8.116 1.00 0.00 H new ATOM 0 HD12 ILE B 24 20.040 4.821 -9.136 1.00 0.00 H new ATOM 0 HD13 ILE B 24 18.489 4.130 -8.602 1.00 0.00 H new ATOM 1453 N LYS B 25 17.294 4.255 -13.944 1.00 0.00 N ATOM 1454 CA LYS B 25 16.853 5.218 -14.991 1.00 0.00 C ATOM 1455 C LYS B 25 15.944 6.289 -14.363 1.00 0.00 C ATOM 1456 O LYS B 25 15.668 7.307 -14.966 1.00 0.00 O ATOM 1457 CB LYS B 25 16.081 4.470 -16.080 1.00 0.00 C ATOM 1458 CG LYS B 25 17.055 3.643 -16.920 1.00 0.00 C ATOM 1459 CD LYS B 25 16.268 2.755 -17.885 1.00 0.00 C ATOM 1460 CE LYS B 25 17.003 2.680 -19.226 1.00 0.00 C ATOM 1461 NZ LYS B 25 17.163 4.052 -19.783 1.00 0.00 N ATOM 0 H LYS B 25 16.540 3.795 -13.434 1.00 0.00 H new ATOM 0 HA LYS B 25 17.728 5.699 -15.428 1.00 0.00 H new ATOM 0 HB2 LYS B 25 15.332 3.820 -15.628 1.00 0.00 H new ATOM 0 HB3 LYS B 25 15.548 5.178 -16.714 1.00 0.00 H new ATOM 0 HG2 LYS B 25 17.722 4.301 -17.476 1.00 0.00 H new ATOM 0 HG3 LYS B 25 17.681 3.029 -16.272 1.00 0.00 H new ATOM 0 HD2 LYS B 25 16.153 1.756 -17.465 1.00 0.00 H new ATOM 0 HD3 LYS B 25 15.265 3.157 -18.030 1.00 0.00 H new ATOM 0 HE2 LYS B 25 17.979 2.214 -19.092 1.00 0.00 H new ATOM 0 HE3 LYS B 25 16.445 2.056 -19.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 17.086 4.017 -20.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 16.419 4.670 -19.402 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 18.096 4.428 -19.517 1.00 0.00 H new ATOM 1475 N GLU B 26 15.469 6.065 -13.163 1.00 0.00 N ATOM 1476 CA GLU B 26 14.574 7.053 -12.506 1.00 0.00 C ATOM 1477 C GLU B 26 14.236 6.528 -11.106 1.00 0.00 C ATOM 1478 O GLU B 26 14.908 5.658 -10.591 1.00 0.00 O ATOM 1479 CB GLU B 26 13.285 7.238 -13.338 1.00 0.00 C ATOM 1480 CG GLU B 26 12.965 5.980 -14.161 1.00 0.00 C ATOM 1481 CD GLU B 26 13.312 6.212 -15.636 1.00 0.00 C ATOM 1482 OE1 GLU B 26 13.438 7.361 -16.026 1.00 0.00 O ATOM 1483 OE2 GLU B 26 13.422 5.234 -16.357 1.00 0.00 O ATOM 0 H GLU B 26 15.668 5.231 -12.610 1.00 0.00 H new ATOM 0 HA GLU B 26 15.068 8.022 -12.433 1.00 0.00 H new ATOM 0 HB2 GLU B 26 12.450 7.463 -12.674 1.00 0.00 H new ATOM 0 HB3 GLU B 26 13.400 8.092 -14.005 1.00 0.00 H new ATOM 0 HG2 GLU B 26 13.530 5.131 -13.776 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.908 5.731 -14.063 1.00 0.00 H new ATOM 1490 N TYR B 27 13.197 7.022 -10.493 1.00 0.00 N ATOM 1491 CA TYR B 27 12.817 6.530 -9.147 1.00 0.00 C ATOM 1492 C TYR B 27 11.322 6.786 -8.974 1.00 0.00 C ATOM 1493 O TYR B 27 10.686 7.346 -9.847 1.00 0.00 O ATOM 1494 CB TYR B 27 13.630 7.276 -8.079 1.00 0.00 C ATOM 1495 CG TYR B 27 13.171 8.718 -7.987 1.00 0.00 C ATOM 1496 CD1 TYR B 27 13.634 9.666 -8.926 1.00 0.00 C ATOM 1497 CD2 TYR B 27 12.241 9.102 -6.995 1.00 0.00 C ATOM 1498 CE1 TYR B 27 13.168 11.000 -8.872 1.00 0.00 C ATOM 1499 CE2 TYR B 27 11.781 10.437 -6.936 1.00 0.00 C ATOM 1500 CZ TYR B 27 12.243 11.385 -7.877 1.00 0.00 C ATOM 1501 OH TYR B 27 11.788 12.687 -7.825 1.00 0.00 O ATOM 0 H TYR B 27 12.593 7.751 -10.873 1.00 0.00 H new ATOM 0 HA TYR B 27 13.026 5.466 -9.040 1.00 0.00 H new ATOM 0 HB2 TYR B 27 13.511 6.786 -7.113 1.00 0.00 H new ATOM 0 HB3 TYR B 27 14.691 7.239 -8.327 1.00 0.00 H new ATOM 0 HD1 TYR B 27 14.344 9.372 -9.685 1.00 0.00 H new ATOM 0 HD2 TYR B 27 11.882 8.375 -6.282 1.00 0.00 H new ATOM 0 HE1 TYR B 27 13.520 11.724 -9.592 1.00 0.00 H new ATOM 0 HE2 TYR B 27 11.077 10.733 -6.172 1.00 0.00 H new ATOM 0 HH TYR B 27 11.156 12.783 -7.082 1.00 0.00 H new ATOM 1511 N PHE B 28 10.747 6.393 -7.877 1.00 0.00 N ATOM 1512 CA PHE B 28 9.297 6.640 -7.710 1.00 0.00 C ATOM 1513 C PHE B 28 8.974 6.841 -6.223 1.00 0.00 C ATOM 1514 O PHE B 28 8.527 5.938 -5.545 1.00 0.00 O ATOM 1515 CB PHE B 28 8.508 5.459 -8.316 1.00 0.00 C ATOM 1516 CG PHE B 28 7.120 5.363 -7.713 1.00 0.00 C ATOM 1517 CD1 PHE B 28 6.355 6.534 -7.520 1.00 0.00 C ATOM 1518 CD2 PHE B 28 6.636 4.119 -7.254 1.00 0.00 C ATOM 1519 CE1 PHE B 28 5.104 6.461 -6.874 1.00 0.00 C ATOM 1520 CE2 PHE B 28 5.380 4.043 -6.616 1.00 0.00 C ATOM 1521 CZ PHE B 28 4.614 5.214 -6.422 1.00 0.00 C ATOM 0 H PHE B 28 11.210 5.919 -7.101 1.00 0.00 H new ATOM 0 HA PHE B 28 9.004 7.549 -8.236 1.00 0.00 H new ATOM 0 HB2 PHE B 28 8.431 5.585 -9.396 1.00 0.00 H new ATOM 0 HB3 PHE B 28 9.049 4.529 -8.142 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.728 7.486 -7.867 1.00 0.00 H new ATOM 0 HD2 PHE B 28 7.227 3.226 -7.391 1.00 0.00 H new ATOM 0 HE1 PHE B 28 4.520 7.357 -6.724 1.00 0.00 H new ATOM 0 HE2 PHE B 28 5.004 3.089 -6.276 1.00 0.00 H new ATOM 0 HZ PHE B 28 3.655 5.157 -5.929 1.00 0.00 H new ATOM 1531 N TYR B 29 9.181 8.023 -5.715 1.00 0.00 N ATOM 1532 CA TYR B 29 8.874 8.268 -4.281 1.00 0.00 C ATOM 1533 C TYR B 29 7.428 7.868 -3.993 1.00 0.00 C ATOM 1534 O TYR B 29 6.516 8.206 -4.721 1.00 0.00 O ATOM 1535 CB TYR B 29 9.069 9.747 -3.953 1.00 0.00 C ATOM 1536 CG TYR B 29 8.740 9.991 -2.501 1.00 0.00 C ATOM 1537 CD1 TYR B 29 9.616 9.535 -1.491 1.00 0.00 C ATOM 1538 CD2 TYR B 29 7.548 10.667 -2.152 1.00 0.00 C ATOM 1539 CE1 TYR B 29 9.301 9.755 -0.132 1.00 0.00 C ATOM 1540 CE2 TYR B 29 7.234 10.885 -0.793 1.00 0.00 C ATOM 1541 CZ TYR B 29 8.110 10.430 0.218 1.00 0.00 C ATOM 1542 OH TYR B 29 7.802 10.644 1.545 1.00 0.00 O ATOM 0 H TYR B 29 9.547 8.825 -6.228 1.00 0.00 H new ATOM 0 HA TYR B 29 9.547 7.673 -3.664 1.00 0.00 H new ATOM 0 HB2 TYR B 29 10.098 10.043 -4.158 1.00 0.00 H new ATOM 0 HB3 TYR B 29 8.429 10.358 -4.589 1.00 0.00 H new ATOM 0 HD1 TYR B 29 10.526 9.018 -1.758 1.00 0.00 H new ATOM 0 HD2 TYR B 29 6.879 11.016 -2.924 1.00 0.00 H new ATOM 0 HE1 TYR B 29 9.971 9.407 0.640 1.00 0.00 H new ATOM 0 HE2 TYR B 29 6.323 11.400 -0.526 1.00 0.00 H new ATOM 0 HH TYR B 29 6.949 11.123 1.610 1.00 0.00 H new ATOM 1552 N THR B 30 7.221 7.149 -2.932 1.00 0.00 N ATOM 1553 CA THR B 30 5.841 6.713 -2.577 1.00 0.00 C ATOM 1554 C THR B 30 5.033 7.917 -2.086 1.00 0.00 C ATOM 1555 O THR B 30 5.583 8.912 -1.658 1.00 0.00 O ATOM 1556 CB THR B 30 5.908 5.659 -1.469 1.00 0.00 C ATOM 1557 OG1 THR B 30 6.728 4.579 -1.893 1.00 0.00 O ATOM 1558 CG2 THR B 30 4.500 5.143 -1.169 1.00 0.00 C ATOM 0 H THR B 30 7.950 6.841 -2.289 1.00 0.00 H new ATOM 0 HA THR B 30 5.359 6.287 -3.457 1.00 0.00 H new ATOM 0 HB THR B 30 6.330 6.105 -0.568 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.773 3.904 -1.184 1.00 0.00 H new ATOM 0 HG21 THR B 30 4.548 4.392 -0.380 1.00 0.00 H new ATOM 0 HG22 THR B 30 3.870 5.971 -0.844 1.00 0.00 H new ATOM 0 HG23 THR B 30 4.077 4.697 -2.069 1.00 0.00 H new ATOM 1566 N SER B 31 3.733 7.833 -2.145 1.00 0.00 N ATOM 1567 CA SER B 31 2.891 8.971 -1.681 1.00 0.00 C ATOM 1568 C SER B 31 2.975 9.079 -0.157 1.00 0.00 C ATOM 1569 O SER B 31 3.576 9.989 0.378 1.00 0.00 O ATOM 1570 CB SER B 31 1.437 8.732 -2.096 1.00 0.00 C ATOM 1571 OG SER B 31 1.276 9.062 -3.467 1.00 0.00 O ATOM 0 H SER B 31 3.217 7.025 -2.494 1.00 0.00 H new ATOM 0 HA SER B 31 3.250 9.896 -2.131 1.00 0.00 H new ATOM 0 HB2 SER B 31 1.166 7.690 -1.928 1.00 0.00 H new ATOM 0 HB3 SER B 31 0.769 9.338 -1.484 1.00 0.00 H new ATOM 0 HG SER B 31 0.346 8.908 -3.734 1.00 0.00 H new ATOM 1577 N GLY B 32 2.378 8.156 0.547 1.00 0.00 N ATOM 1578 CA GLY B 32 2.426 8.208 2.036 1.00 0.00 C ATOM 1579 C GLY B 32 1.274 7.382 2.614 1.00 0.00 C ATOM 1580 O GLY B 32 0.528 7.844 3.454 1.00 0.00 O ATOM 0 H GLY B 32 1.860 7.369 0.156 1.00 0.00 H new ATOM 0 HA2 GLY B 32 3.380 7.821 2.393 1.00 0.00 H new ATOM 0 HA3 GLY B 32 2.354 9.241 2.377 1.00 0.00 H new ATOM 1584 N LYS B 33 1.122 6.165 2.169 1.00 0.00 N ATOM 1585 CA LYS B 33 0.016 5.313 2.693 1.00 0.00 C ATOM 1586 C LYS B 33 0.368 3.835 2.503 1.00 0.00 C ATOM 1587 O LYS B 33 -0.497 2.983 2.461 1.00 0.00 O ATOM 1588 CB LYS B 33 -1.272 5.632 1.935 1.00 0.00 C ATOM 1589 CG LYS B 33 -1.020 5.517 0.432 1.00 0.00 C ATOM 1590 CD LYS B 33 -2.274 4.974 -0.251 1.00 0.00 C ATOM 1591 CE LYS B 33 -2.329 5.473 -1.695 1.00 0.00 C ATOM 1592 NZ LYS B 33 -3.021 6.791 -1.738 1.00 0.00 N ATOM 0 H LYS B 33 1.715 5.724 1.466 1.00 0.00 H new ATOM 0 HA LYS B 33 -0.125 5.515 3.755 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -2.063 4.945 2.236 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -1.612 6.638 2.182 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -0.761 6.492 0.020 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -0.174 4.856 0.243 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -2.267 3.884 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -3.164 5.297 0.290 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -1.320 5.566 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -2.856 4.753 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -3.059 7.131 -2.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -3.988 6.687 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -2.500 7.476 -1.154 1.00 0.00 H new ATOM 1606 N CYS B 34 1.630 3.522 2.394 1.00 0.00 N ATOM 1607 CA CYS B 34 2.030 2.097 2.214 1.00 0.00 C ATOM 1608 C CYS B 34 2.775 1.605 3.463 1.00 0.00 C ATOM 1609 O CYS B 34 3.350 0.535 3.469 1.00 0.00 O ATOM 1610 CB CYS B 34 2.947 1.975 0.992 1.00 0.00 C ATOM 1611 SG CYS B 34 1.990 2.265 -0.518 1.00 0.00 S ATOM 0 H CYS B 34 2.401 4.190 2.422 1.00 0.00 H new ATOM 0 HA CYS B 34 1.138 1.489 2.064 1.00 0.00 H new ATOM 0 HB2 CYS B 34 3.761 2.696 1.062 1.00 0.00 H new ATOM 0 HB3 CYS B 34 3.400 0.984 0.963 1.00 0.00 H new ATOM 1616 N SER B 35 2.771 2.375 4.523 1.00 0.00 N ATOM 1617 CA SER B 35 3.480 1.945 5.763 1.00 0.00 C ATOM 1618 C SER B 35 4.942 1.626 5.440 1.00 0.00 C ATOM 1619 O SER B 35 5.606 0.921 6.173 1.00 0.00 O ATOM 1620 CB SER B 35 2.800 0.698 6.332 1.00 0.00 C ATOM 1621 OG SER B 35 2.670 0.832 7.740 1.00 0.00 O ATOM 0 H SER B 35 2.307 3.282 4.581 1.00 0.00 H new ATOM 0 HA SER B 35 3.441 2.750 6.497 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.819 0.566 5.876 1.00 0.00 H new ATOM 0 HB3 SER B 35 3.385 -0.190 6.093 1.00 0.00 H new ATOM 0 HG SER B 35 2.233 0.035 8.106 1.00 0.00 H new ATOM 1627 N ASN B 36 5.449 2.144 4.354 1.00 0.00 N ATOM 1628 CA ASN B 36 6.867 1.878 3.978 1.00 0.00 C ATOM 1629 C ASN B 36 7.258 2.819 2.833 1.00 0.00 C ATOM 1630 O ASN B 36 7.487 2.370 1.726 1.00 0.00 O ATOM 1631 CB ASN B 36 7.019 0.429 3.511 1.00 0.00 C ATOM 1632 CG ASN B 36 7.330 -0.471 4.710 1.00 0.00 C ATOM 1633 OD1 ASN B 36 6.716 -1.506 4.881 1.00 0.00 O ATOM 1634 ND2 ASN B 36 8.264 -0.120 5.551 1.00 0.00 N ATOM 0 H ASN B 36 4.938 2.744 3.707 1.00 0.00 H new ATOM 0 HA ASN B 36 7.511 2.045 4.841 1.00 0.00 H new ATOM 0 HB2 ASN B 36 6.103 0.096 3.023 1.00 0.00 H new ATOM 0 HB3 ASN B 36 7.818 0.357 2.773 1.00 0.00 H new ATOM 0 HD21 ASN B 36 8.479 -0.714 6.352 1.00 0.00 H new ATOM 0 HD22 ASN B 36 8.779 0.748 5.408 1.00 0.00 H new ATOM 1641 N PRO B 37 7.327 4.102 3.120 1.00 0.00 N ATOM 1642 CA PRO B 37 7.691 5.098 2.103 1.00 0.00 C ATOM 1643 C PRO B 37 9.038 4.731 1.485 1.00 0.00 C ATOM 1644 O PRO B 37 9.841 4.050 2.093 1.00 0.00 O ATOM 1645 CB PRO B 37 7.782 6.428 2.865 1.00 0.00 C ATOM 1646 CG PRO B 37 7.352 6.160 4.330 1.00 0.00 C ATOM 1647 CD PRO B 37 7.058 4.658 4.465 1.00 0.00 C ATOM 0 HA PRO B 37 6.969 5.152 1.288 1.00 0.00 H new ATOM 0 HB2 PRO B 37 8.798 6.820 2.830 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.135 7.177 2.407 1.00 0.00 H new ATOM 0 HG2 PRO B 37 8.141 6.459 5.020 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.469 6.747 4.582 1.00 0.00 H new ATOM 0 HD2 PRO B 37 7.695 4.196 5.219 1.00 0.00 H new ATOM 0 HD3 PRO B 37 6.026 4.482 4.768 1.00 0.00 H new ATOM 1655 N ALA B 38 9.294 5.163 0.284 1.00 0.00 N ATOM 1656 CA ALA B 38 10.592 4.819 -0.356 1.00 0.00 C ATOM 1657 C ALA B 38 10.752 5.591 -1.659 1.00 0.00 C ATOM 1658 O ALA B 38 10.083 6.572 -1.906 1.00 0.00 O ATOM 1659 CB ALA B 38 10.624 3.312 -0.654 1.00 0.00 C ATOM 0 H ALA B 38 8.666 5.736 -0.279 1.00 0.00 H new ATOM 0 HA ALA B 38 11.406 5.083 0.319 1.00 0.00 H new ATOM 0 HB1 ALA B 38 11.573 3.054 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA B 38 10.516 2.755 0.277 1.00 0.00 H new ATOM 0 HB3 ALA B 38 9.805 3.057 -1.327 1.00 0.00 H new ATOM 1665 N VAL B 39 11.621 5.124 -2.502 1.00 0.00 N ATOM 1666 CA VAL B 39 11.841 5.766 -3.819 1.00 0.00 C ATOM 1667 C VAL B 39 12.003 4.615 -4.782 1.00 0.00 C ATOM 1668 O VAL B 39 13.085 4.112 -5.011 1.00 0.00 O ATOM 1669 CB VAL B 39 13.092 6.652 -3.815 1.00 0.00 C ATOM 1670 CG1 VAL B 39 12.707 8.042 -3.334 1.00 0.00 C ATOM 1671 CG2 VAL B 39 14.158 6.083 -2.877 1.00 0.00 C ATOM 0 H VAL B 39 12.202 4.304 -2.328 1.00 0.00 H new ATOM 0 HA VAL B 39 11.015 6.424 -4.089 1.00 0.00 H new ATOM 0 HB VAL B 39 13.498 6.691 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL B 39 13.589 8.682 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL B 39 11.958 8.464 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL B 39 12.297 7.978 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL B 39 15.036 6.728 -2.891 1.00 0.00 H new ATOM 0 HG22 VAL B 39 13.761 6.032 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL B 39 14.437 5.083 -3.208 1.00 0.00 H new ATOM 1681 N VAL B 40 10.911 4.156 -5.291 1.00 0.00 N ATOM 1682 CA VAL B 40 10.945 2.987 -6.182 1.00 0.00 C ATOM 1683 C VAL B 40 11.867 3.257 -7.362 1.00 0.00 C ATOM 1684 O VAL B 40 11.587 4.066 -8.220 1.00 0.00 O ATOM 1685 CB VAL B 40 9.507 2.671 -6.608 1.00 0.00 C ATOM 1686 CG1 VAL B 40 9.437 2.148 -8.040 1.00 0.00 C ATOM 1687 CG2 VAL B 40 8.964 1.598 -5.670 1.00 0.00 C ATOM 0 H VAL B 40 9.984 4.547 -5.125 1.00 0.00 H new ATOM 0 HA VAL B 40 11.350 2.113 -5.672 1.00 0.00 H new ATOM 0 HB VAL B 40 8.921 3.589 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL B 40 8.400 1.937 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL B 40 9.836 2.899 -8.722 1.00 0.00 H new ATOM 0 HG13 VAL B 40 10.025 1.234 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL B 40 7.940 1.354 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL B 40 9.583 0.704 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL B 40 8.980 1.969 -4.645 1.00 0.00 H new ATOM 1697 N PHE B 41 12.961 2.565 -7.412 1.00 0.00 N ATOM 1698 CA PHE B 41 13.888 2.766 -8.533 1.00 0.00 C ATOM 1699 C PHE B 41 13.335 2.085 -9.761 1.00 0.00 C ATOM 1700 O PHE B 41 12.834 0.984 -9.722 1.00 0.00 O ATOM 1701 CB PHE B 41 15.263 2.171 -8.202 1.00 0.00 C ATOM 1702 CG PHE B 41 16.119 3.170 -7.455 1.00 0.00 C ATOM 1703 CD1 PHE B 41 16.179 4.520 -7.871 1.00 0.00 C ATOM 1704 CD2 PHE B 41 16.918 2.730 -6.377 1.00 0.00 C ATOM 1705 CE1 PHE B 41 17.031 5.429 -7.200 1.00 0.00 C ATOM 1706 CE2 PHE B 41 17.776 3.635 -5.715 1.00 0.00 C ATOM 1707 CZ PHE B 41 17.832 4.984 -6.124 1.00 0.00 C ATOM 0 H PHE B 41 13.249 1.870 -6.723 1.00 0.00 H new ATOM 0 HA PHE B 41 13.999 3.835 -8.714 1.00 0.00 H new ATOM 0 HB2 PHE B 41 15.139 1.271 -7.600 1.00 0.00 H new ATOM 0 HB3 PHE B 41 15.765 1.872 -9.122 1.00 0.00 H new ATOM 0 HD1 PHE B 41 15.575 4.857 -8.700 1.00 0.00 H new ATOM 0 HD2 PHE B 41 16.873 1.699 -6.058 1.00 0.00 H new ATOM 0 HE1 PHE B 41 17.069 6.463 -7.510 1.00 0.00 H new ATOM 0 HE2 PHE B 41 18.390 3.294 -4.895 1.00 0.00 H new ATOM 0 HZ PHE B 41 18.487 5.676 -5.615 1.00 0.00 H new ATOM 1717 N VAL B 42 13.444 2.749 -10.850 1.00 0.00 N ATOM 1718 CA VAL B 42 12.967 2.194 -12.134 1.00 0.00 C ATOM 1719 C VAL B 42 14.235 2.088 -13.000 1.00 0.00 C ATOM 1720 O VAL B 42 14.552 2.969 -13.773 1.00 0.00 O ATOM 1721 CB VAL B 42 11.937 3.134 -12.772 1.00 0.00 C ATOM 1722 CG1 VAL B 42 10.577 2.450 -12.749 1.00 0.00 C ATOM 1723 CG2 VAL B 42 11.814 4.447 -11.993 1.00 0.00 C ATOM 0 H VAL B 42 13.854 3.681 -10.915 1.00 0.00 H new ATOM 0 HA VAL B 42 12.470 1.231 -12.019 1.00 0.00 H new ATOM 0 HB VAL B 42 12.263 3.356 -13.788 1.00 0.00 H new ATOM 0 HG11 VAL B 42 9.832 3.106 -13.200 1.00 0.00 H new ATOM 0 HG12 VAL B 42 10.629 1.518 -13.313 1.00 0.00 H new ATOM 0 HG13 VAL B 42 10.295 2.235 -11.718 1.00 0.00 H new ATOM 0 HG21 VAL B 42 11.075 5.088 -12.474 1.00 0.00 H new ATOM 0 HG22 VAL B 42 11.500 4.236 -10.971 1.00 0.00 H new ATOM 0 HG23 VAL B 42 12.779 4.953 -11.979 1.00 0.00 H new ATOM 1733 N THR B 43 15.007 1.056 -12.785 1.00 0.00 N ATOM 1734 CA THR B 43 16.325 0.908 -13.494 1.00 0.00 C ATOM 1735 C THR B 43 16.191 0.340 -14.903 1.00 0.00 C ATOM 1736 O THR B 43 15.147 0.393 -15.520 1.00 0.00 O ATOM 1737 CB THR B 43 17.223 -0.019 -12.663 1.00 0.00 C ATOM 1738 OG1 THR B 43 16.787 -1.362 -12.819 1.00 0.00 O ATOM 1739 CG2 THR B 43 17.154 0.370 -11.183 1.00 0.00 C ATOM 0 H THR B 43 14.783 0.297 -12.142 1.00 0.00 H new ATOM 0 HA THR B 43 16.755 1.904 -13.595 1.00 0.00 H new ATOM 0 HB THR B 43 18.252 0.077 -13.009 1.00 0.00 H new ATOM 0 HG1 THR B 43 17.360 -1.956 -12.290 1.00 0.00 H new ATOM 0 HG21 THR B 43 17.794 -0.294 -10.602 1.00 0.00 H new ATOM 0 HG22 THR B 43 17.492 1.399 -11.061 1.00 0.00 H new ATOM 0 HG23 THR B 43 16.126 0.282 -10.831 1.00 0.00 H new ATOM 1747 N ARG B 44 17.282 -0.181 -15.427 1.00 0.00 N ATOM 1748 CA ARG B 44 17.273 -0.742 -16.808 1.00 0.00 C ATOM 1749 C ARG B 44 16.067 -1.664 -16.968 1.00 0.00 C ATOM 1750 O ARG B 44 15.165 -1.383 -17.733 1.00 0.00 O ATOM 1751 CB ARG B 44 18.577 -1.507 -17.086 1.00 0.00 C ATOM 1752 CG ARG B 44 19.024 -2.293 -15.846 1.00 0.00 C ATOM 1753 CD ARG B 44 19.038 -3.788 -16.171 1.00 0.00 C ATOM 1754 NE ARG B 44 20.309 -4.131 -16.870 1.00 0.00 N ATOM 1755 CZ ARG B 44 20.470 -5.320 -17.384 1.00 0.00 C ATOM 1756 NH1 ARG B 44 19.583 -5.800 -18.212 1.00 0.00 N ATOM 1757 NH2 ARG B 44 21.520 -6.029 -17.069 1.00 0.00 N ATOM 0 H ARG B 44 18.180 -0.238 -14.948 1.00 0.00 H new ATOM 0 HA ARG B 44 17.201 0.073 -17.528 1.00 0.00 H new ATOM 0 HB2 ARG B 44 18.431 -2.191 -17.922 1.00 0.00 H new ATOM 0 HB3 ARG B 44 19.359 -0.807 -17.379 1.00 0.00 H new ATOM 0 HG2 ARG B 44 20.016 -1.968 -15.534 1.00 0.00 H new ATOM 0 HG3 ARG B 44 18.348 -2.097 -15.014 1.00 0.00 H new ATOM 0 HD2 ARG B 44 18.945 -4.371 -15.255 1.00 0.00 H new ATOM 0 HD3 ARG B 44 18.184 -4.043 -16.799 1.00 0.00 H new ATOM 0 HE ARG B 44 21.053 -3.437 -16.947 1.00 0.00 H new ATOM 0 HH11 ARG B 44 18.763 -5.246 -18.458 1.00 0.00 H new ATOM 0 HH12 ARG B 44 19.710 -6.729 -18.613 1.00 0.00 H new ATOM 0 HH21 ARG B 44 22.213 -5.654 -16.422 1.00 0.00 H new ATOM 0 HH22 ARG B 44 21.647 -6.958 -17.470 1.00 0.00 H new ATOM 1771 N LYS B 45 15.996 -2.730 -16.209 1.00 0.00 N ATOM 1772 CA LYS B 45 14.787 -3.603 -16.294 1.00 0.00 C ATOM 1773 C LYS B 45 13.594 -2.698 -15.984 1.00 0.00 C ATOM 1774 O LYS B 45 12.508 -2.850 -16.506 1.00 0.00 O ATOM 1775 CB LYS B 45 14.876 -4.730 -15.264 1.00 0.00 C ATOM 1776 CG LYS B 45 13.637 -5.622 -15.378 1.00 0.00 C ATOM 1777 CD LYS B 45 13.648 -6.338 -16.730 1.00 0.00 C ATOM 1778 CE LYS B 45 12.620 -7.471 -16.715 1.00 0.00 C ATOM 1779 NZ LYS B 45 12.544 -8.089 -18.067 1.00 0.00 N ATOM 0 H LYS B 45 16.710 -3.029 -15.545 1.00 0.00 H new ATOM 0 HA LYS B 45 14.695 -4.066 -17.277 1.00 0.00 H new ATOM 0 HB2 LYS B 45 15.778 -5.319 -15.430 1.00 0.00 H new ATOM 0 HB3 LYS B 45 14.947 -4.314 -14.259 1.00 0.00 H new ATOM 0 HG2 LYS B 45 13.625 -6.351 -14.568 1.00 0.00 H new ATOM 0 HG3 LYS B 45 12.733 -5.021 -15.280 1.00 0.00 H new ATOM 0 HD2 LYS B 45 13.417 -5.633 -17.529 1.00 0.00 H new ATOM 0 HD3 LYS B 45 14.642 -6.737 -16.934 1.00 0.00 H new ATOM 0 HE2 LYS B 45 12.900 -8.221 -15.976 1.00 0.00 H new ATOM 0 HE3 LYS B 45 11.643 -7.086 -16.424 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 11.845 -8.859 -18.058 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 12.258 -7.370 -18.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 13.476 -8.470 -18.327 1.00 0.00 H new ATOM 1793 N ASN B 46 13.842 -1.714 -15.158 1.00 0.00 N ATOM 1794 CA ASN B 46 12.815 -0.714 -14.800 1.00 0.00 C ATOM 1795 C ASN B 46 11.758 -1.303 -13.912 1.00 0.00 C ATOM 1796 O ASN B 46 10.736 -0.685 -13.680 1.00 0.00 O ATOM 1797 CB ASN B 46 12.167 -0.163 -16.074 1.00 0.00 C ATOM 1798 CG ASN B 46 12.455 1.333 -16.208 1.00 0.00 C ATOM 1799 OD1 ASN B 46 13.240 1.883 -15.468 1.00 0.00 O ATOM 1800 ND2 ASN B 46 11.848 2.019 -17.138 1.00 0.00 N ATOM 0 H ASN B 46 14.745 -1.566 -14.708 1.00 0.00 H new ATOM 0 HA ASN B 46 13.305 0.091 -14.253 1.00 0.00 H new ATOM 0 HB2 ASN B 46 12.551 -0.694 -16.945 1.00 0.00 H new ATOM 0 HB3 ASN B 46 11.091 -0.333 -16.046 1.00 0.00 H new ATOM 0 HD21 ASN B 46 12.035 3.016 -17.240 1.00 0.00 H new ATOM 0 HD22 ASN B 46 11.186 1.558 -17.762 1.00 0.00 H new ATOM 1807 N ARG B 47 12.004 -2.443 -13.330 1.00 0.00 N ATOM 1808 CA ARG B 47 11.006 -2.971 -12.367 1.00 0.00 C ATOM 1809 C ARG B 47 10.886 -1.873 -11.324 1.00 0.00 C ATOM 1810 O ARG B 47 11.735 -1.002 -11.279 1.00 0.00 O ATOM 1811 CB ARG B 47 11.508 -4.266 -11.727 1.00 0.00 C ATOM 1812 CG ARG B 47 10.962 -5.465 -12.503 1.00 0.00 C ATOM 1813 CD ARG B 47 9.461 -5.595 -12.245 1.00 0.00 C ATOM 1814 NE ARG B 47 9.219 -6.668 -11.240 1.00 0.00 N ATOM 1815 CZ ARG B 47 8.384 -7.634 -11.505 1.00 0.00 C ATOM 1816 NH1 ARG B 47 7.282 -7.383 -12.158 1.00 0.00 N ATOM 1817 NH2 ARG B 47 8.649 -8.852 -11.116 1.00 0.00 N ATOM 0 H ARG B 47 12.833 -3.019 -13.476 1.00 0.00 H new ATOM 0 HA ARG B 47 10.053 -3.211 -12.839 1.00 0.00 H new ATOM 0 HB2 ARG B 47 12.598 -4.285 -11.727 1.00 0.00 H new ATOM 0 HB3 ARG B 47 11.188 -4.317 -10.686 1.00 0.00 H new ATOM 0 HG2 ARG B 47 11.149 -5.338 -13.569 1.00 0.00 H new ATOM 0 HG3 ARG B 47 11.475 -6.376 -12.195 1.00 0.00 H new ATOM 0 HD2 ARG B 47 9.060 -4.648 -11.884 1.00 0.00 H new ATOM 0 HD3 ARG B 47 8.941 -5.828 -13.174 1.00 0.00 H new ATOM 0 HE ARG B 47 9.707 -6.647 -10.344 1.00 0.00 H new ATOM 0 HH11 ARG B 47 7.074 -6.431 -12.461 1.00 0.00 H new ATOM 0 HH12 ARG B 47 6.629 -8.138 -12.365 1.00 0.00 H new ATOM 0 HH21 ARG B 47 9.509 -9.048 -10.605 1.00 0.00 H new ATOM 0 HH22 ARG B 47 7.996 -9.607 -11.324 1.00 0.00 H new ATOM 1831 N GLN B 48 9.869 -1.841 -10.530 1.00 0.00 N ATOM 1832 CA GLN B 48 9.793 -0.727 -9.568 1.00 0.00 C ATOM 1833 C GLN B 48 10.518 -1.140 -8.303 1.00 0.00 C ATOM 1834 O GLN B 48 9.950 -1.374 -7.257 1.00 0.00 O ATOM 1835 CB GLN B 48 8.350 -0.335 -9.341 1.00 0.00 C ATOM 1836 CG GLN B 48 8.011 0.722 -10.393 1.00 0.00 C ATOM 1837 CD GLN B 48 6.531 1.097 -10.297 1.00 0.00 C ATOM 1838 OE1 GLN B 48 5.785 0.919 -11.241 1.00 0.00 O ATOM 1839 NE2 GLN B 48 6.071 1.615 -9.192 1.00 0.00 N ATOM 0 H GLN B 48 9.106 -2.517 -10.503 1.00 0.00 H new ATOM 0 HA GLN B 48 10.285 0.166 -9.954 1.00 0.00 H new ATOM 0 HB2 GLN B 48 7.694 -1.200 -9.437 1.00 0.00 H new ATOM 0 HB3 GLN B 48 8.210 0.061 -8.335 1.00 0.00 H new ATOM 0 HG2 GLN B 48 8.630 1.607 -10.244 1.00 0.00 H new ATOM 0 HG3 GLN B 48 8.235 0.341 -11.389 1.00 0.00 H new ATOM 0 HE21 GLN B 48 6.696 1.765 -8.400 1.00 0.00 H new ATOM 0 HE22 GLN B 48 5.086 1.871 -9.120 1.00 0.00 H new ATOM 1848 N VAL B 49 11.801 -1.234 -8.448 1.00 0.00 N ATOM 1849 CA VAL B 49 12.700 -1.644 -7.348 1.00 0.00 C ATOM 1850 C VAL B 49 12.444 -0.772 -6.112 1.00 0.00 C ATOM 1851 O VAL B 49 11.554 0.044 -6.091 1.00 0.00 O ATOM 1852 CB VAL B 49 14.171 -1.497 -7.790 1.00 0.00 C ATOM 1853 CG1 VAL B 49 14.982 -2.606 -7.130 1.00 0.00 C ATOM 1854 CG2 VAL B 49 14.341 -1.605 -9.335 1.00 0.00 C ATOM 0 H VAL B 49 12.284 -1.034 -9.324 1.00 0.00 H new ATOM 0 HA VAL B 49 12.502 -2.687 -7.099 1.00 0.00 H new ATOM 0 HB VAL B 49 14.517 -0.508 -7.488 1.00 0.00 H new ATOM 0 HG11 VAL B 49 16.027 -2.520 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.907 -2.516 -6.046 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.593 -3.576 -7.442 1.00 0.00 H new ATOM 0 HG21 VAL B 49 15.394 -1.495 -9.594 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.984 -2.578 -9.673 1.00 0.00 H new ATOM 0 HG23 VAL B 49 13.764 -0.818 -9.820 1.00 0.00 H new ATOM 1864 N CYS B 50 13.222 -0.962 -5.082 1.00 0.00 N ATOM 1865 CA CYS B 50 13.053 -0.183 -3.818 1.00 0.00 C ATOM 1866 C CYS B 50 14.426 0.295 -3.342 1.00 0.00 C ATOM 1867 O CYS B 50 15.426 -0.344 -3.609 1.00 0.00 O ATOM 1868 CB CYS B 50 12.492 -1.135 -2.756 1.00 0.00 C ATOM 1869 SG CYS B 50 11.310 -0.315 -1.652 1.00 0.00 S ATOM 0 H CYS B 50 13.985 -1.639 -5.061 1.00 0.00 H new ATOM 0 HA CYS B 50 12.392 0.668 -3.980 1.00 0.00 H new ATOM 0 HB2 CYS B 50 12.003 -1.976 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS B 50 13.313 -1.543 -2.167 1.00 0.00 H new ATOM 1874 N ALA B 51 14.503 1.391 -2.629 1.00 0.00 N ATOM 1875 CA ALA B 51 15.840 1.841 -2.146 1.00 0.00 C ATOM 1876 C ALA B 51 15.697 2.744 -0.934 1.00 0.00 C ATOM 1877 O ALA B 51 16.588 3.500 -0.616 1.00 0.00 O ATOM 1878 CB ALA B 51 16.569 2.584 -3.264 1.00 0.00 C ATOM 0 H ALA B 51 13.714 1.982 -2.366 1.00 0.00 H new ATOM 0 HA ALA B 51 16.418 0.964 -1.856 1.00 0.00 H new ATOM 0 HB1 ALA B 51 17.546 2.911 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA B 51 16.699 1.919 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA B 51 15.983 3.452 -3.566 1.00 0.00 H new ATOM 1884 N ASN B 52 14.604 2.647 -0.232 1.00 0.00 N ATOM 1885 CA ASN B 52 14.432 3.486 0.983 1.00 0.00 C ATOM 1886 C ASN B 52 14.418 4.970 0.588 1.00 0.00 C ATOM 1887 O ASN B 52 15.145 5.372 -0.297 1.00 0.00 O ATOM 1888 CB ASN B 52 15.601 3.211 1.931 1.00 0.00 C ATOM 1889 CG ASN B 52 15.341 3.886 3.279 1.00 0.00 C ATOM 1890 OD1 ASN B 52 15.824 4.972 3.531 1.00 0.00 O ATOM 1891 ND2 ASN B 52 14.589 3.286 4.160 1.00 0.00 N ATOM 0 H ASN B 52 13.825 2.025 -0.447 1.00 0.00 H new ATOM 0 HA ASN B 52 13.490 3.246 1.475 1.00 0.00 H new ATOM 0 HB2 ASN B 52 15.725 2.137 2.069 1.00 0.00 H new ATOM 0 HB3 ASN B 52 16.529 3.586 1.498 1.00 0.00 H new ATOM 0 HD21 ASN B 52 14.406 3.729 5.061 1.00 0.00 H new ATOM 0 HD22 ASN B 52 14.184 2.374 3.948 1.00 0.00 H new ATOM 1898 N PRO B 53 13.585 5.753 1.237 1.00 0.00 N ATOM 1899 CA PRO B 53 13.484 7.181 0.927 1.00 0.00 C ATOM 1900 C PRO B 53 14.606 7.958 1.618 1.00 0.00 C ATOM 1901 O PRO B 53 15.311 8.731 1.004 1.00 0.00 O ATOM 1902 CB PRO B 53 12.141 7.599 1.529 1.00 0.00 C ATOM 1903 CG PRO B 53 11.740 6.501 2.548 1.00 0.00 C ATOM 1904 CD PRO B 53 12.673 5.301 2.313 1.00 0.00 C ATOM 0 HA PRO B 53 13.560 7.377 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO B 53 12.223 8.569 2.020 1.00 0.00 H new ATOM 0 HB3 PRO B 53 11.384 7.698 0.751 1.00 0.00 H new ATOM 0 HG2 PRO B 53 11.837 6.870 3.569 1.00 0.00 H new ATOM 0 HG3 PRO B 53 10.698 6.211 2.411 1.00 0.00 H new ATOM 0 HD2 PRO B 53 13.223 5.041 3.218 1.00 0.00 H new ATOM 0 HD3 PRO B 53 12.114 4.414 2.014 1.00 0.00 H new ATOM 1912 N GLU B 54 14.758 7.771 2.904 1.00 0.00 N ATOM 1913 CA GLU B 54 15.813 8.513 3.649 1.00 0.00 C ATOM 1914 C GLU B 54 17.017 7.609 3.926 1.00 0.00 C ATOM 1915 O GLU B 54 17.358 7.344 5.063 1.00 0.00 O ATOM 1916 CB GLU B 54 15.236 9.004 4.979 1.00 0.00 C ATOM 1917 CG GLU B 54 14.612 7.824 5.728 1.00 0.00 C ATOM 1918 CD GLU B 54 15.013 7.887 7.203 1.00 0.00 C ATOM 1919 OE1 GLU B 54 16.204 7.916 7.472 1.00 0.00 O ATOM 1920 OE2 GLU B 54 14.125 7.905 8.038 1.00 0.00 O ATOM 0 H GLU B 54 14.195 7.135 3.469 1.00 0.00 H new ATOM 0 HA GLU B 54 16.142 9.358 3.044 1.00 0.00 H new ATOM 0 HB2 GLU B 54 16.021 9.458 5.583 1.00 0.00 H new ATOM 0 HB3 GLU B 54 14.485 9.774 4.800 1.00 0.00 H new ATOM 0 HG2 GLU B 54 13.526 7.853 5.634 1.00 0.00 H new ATOM 0 HG3 GLU B 54 14.945 6.884 5.289 1.00 0.00 H new ATOM 1927 N LYS B 55 17.680 7.152 2.901 1.00 0.00 N ATOM 1928 CA LYS B 55 18.878 6.289 3.113 1.00 0.00 C ATOM 1929 C LYS B 55 20.125 7.057 2.660 1.00 0.00 C ATOM 1930 O LYS B 55 21.129 6.476 2.302 1.00 0.00 O ATOM 1931 CB LYS B 55 18.742 4.988 2.320 1.00 0.00 C ATOM 1932 CG LYS B 55 18.729 3.801 3.287 1.00 0.00 C ATOM 1933 CD LYS B 55 20.143 3.231 3.412 1.00 0.00 C ATOM 1934 CE LYS B 55 20.296 2.533 4.765 1.00 0.00 C ATOM 1935 NZ LYS B 55 21.713 2.111 4.950 1.00 0.00 N ATOM 0 H LYS B 55 17.445 7.338 1.926 1.00 0.00 H new ATOM 0 HA LYS B 55 18.965 6.036 4.170 1.00 0.00 H new ATOM 0 HB2 LYS B 55 17.824 5.002 1.732 1.00 0.00 H new ATOM 0 HB3 LYS B 55 19.569 4.890 1.617 1.00 0.00 H new ATOM 0 HG2 LYS B 55 18.365 4.118 4.264 1.00 0.00 H new ATOM 0 HG3 LYS B 55 18.046 3.032 2.927 1.00 0.00 H new ATOM 0 HD2 LYS B 55 20.335 2.525 2.604 1.00 0.00 H new ATOM 0 HD3 LYS B 55 20.878 4.030 3.318 1.00 0.00 H new ATOM 0 HE2 LYS B 55 19.998 3.206 5.569 1.00 0.00 H new ATOM 0 HE3 LYS B 55 19.638 1.666 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 21.817 1.637 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 21.982 1.454 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 22.331 2.947 4.920 1.00 0.00 H new ATOM 1949 N LYS B 56 20.059 8.364 2.689 1.00 0.00 N ATOM 1950 CA LYS B 56 21.227 9.202 2.281 1.00 0.00 C ATOM 1951 C LYS B 56 21.582 8.953 0.809 1.00 0.00 C ATOM 1952 O LYS B 56 21.129 9.653 -0.071 1.00 0.00 O ATOM 1953 CB LYS B 56 22.430 8.869 3.169 1.00 0.00 C ATOM 1954 CG LYS B 56 22.386 9.732 4.431 1.00 0.00 C ATOM 1955 CD LYS B 56 23.516 9.316 5.373 1.00 0.00 C ATOM 1956 CE LYS B 56 23.337 10.009 6.724 1.00 0.00 C ATOM 1957 NZ LYS B 56 22.299 9.290 7.517 1.00 0.00 N ATOM 0 H LYS B 56 19.236 8.892 2.981 1.00 0.00 H new ATOM 0 HA LYS B 56 20.964 10.253 2.400 1.00 0.00 H new ATOM 0 HB2 LYS B 56 22.416 7.813 3.437 1.00 0.00 H new ATOM 0 HB3 LYS B 56 23.358 9.048 2.625 1.00 0.00 H new ATOM 0 HG2 LYS B 56 22.487 10.785 4.168 1.00 0.00 H new ATOM 0 HG3 LYS B 56 21.423 9.618 4.929 1.00 0.00 H new ATOM 0 HD2 LYS B 56 23.514 8.234 5.505 1.00 0.00 H new ATOM 0 HD3 LYS B 56 24.480 9.583 4.941 1.00 0.00 H new ATOM 0 HE2 LYS B 56 24.282 10.020 7.267 1.00 0.00 H new ATOM 0 HE3 LYS B 56 23.042 11.048 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 22.307 9.639 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 21.363 9.458 7.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 22.503 8.270 7.512 1.00 0.00 H new ATOM 1971 N TRP B 57 22.406 7.976 0.540 1.00 0.00 N ATOM 1972 CA TRP B 57 22.816 7.691 -0.865 1.00 0.00 C ATOM 1973 C TRP B 57 21.605 7.657 -1.810 1.00 0.00 C ATOM 1974 O TRP B 57 21.741 7.876 -2.995 1.00 0.00 O ATOM 1975 CB TRP B 57 23.565 6.360 -0.897 1.00 0.00 C ATOM 1976 CG TRP B 57 22.640 5.247 -0.598 1.00 0.00 C ATOM 1977 CD1 TRP B 57 22.562 4.549 0.555 1.00 0.00 C ATOM 1978 CD2 TRP B 57 21.768 4.604 -1.533 1.00 0.00 C ATOM 1979 NE1 TRP B 57 21.662 3.510 0.381 1.00 0.00 N ATOM 1980 CE2 TRP B 57 21.149 3.497 -0.899 1.00 0.00 C ATOM 1981 CE3 TRP B 57 21.464 4.880 -2.876 1.00 0.00 C ATOM 1982 CZ2 TRP B 57 20.250 2.676 -1.595 1.00 0.00 C ATOM 1983 CZ3 TRP B 57 20.582 4.063 -3.583 1.00 0.00 C ATOM 1984 CH2 TRP B 57 19.971 2.957 -2.949 1.00 0.00 C ATOM 0 H TRP B 57 22.816 7.358 1.240 1.00 0.00 H new ATOM 0 HA TRP B 57 23.469 8.491 -1.214 1.00 0.00 H new ATOM 0 HB2 TRP B 57 24.018 6.213 -1.877 1.00 0.00 H new ATOM 0 HB3 TRP B 57 24.377 6.373 -0.170 1.00 0.00 H new ATOM 0 HD1 TRP B 57 23.109 4.764 1.461 1.00 0.00 H new ATOM 0 HE1 TRP B 57 21.411 2.840 1.108 1.00 0.00 H new ATOM 0 HE3 TRP B 57 21.916 5.730 -3.365 1.00 0.00 H new ATOM 0 HZ2 TRP B 57 19.778 1.840 -1.101 1.00 0.00 H new ATOM 0 HZ3 TRP B 57 20.365 4.276 -4.619 1.00 0.00 H new ATOM 0 HH2 TRP B 57 19.290 2.327 -3.502 1.00 0.00 H new ATOM 1995 N VAL B 58 20.428 7.401 -1.313 1.00 0.00 N ATOM 1996 CA VAL B 58 19.238 7.377 -2.232 1.00 0.00 C ATOM 1997 C VAL B 58 18.766 8.802 -2.486 1.00 0.00 C ATOM 1998 O VAL B 58 18.539 9.193 -3.604 1.00 0.00 O ATOM 1999 CB VAL B 58 18.060 6.578 -1.654 1.00 0.00 C ATOM 2000 CG1 VAL B 58 18.087 5.160 -2.205 1.00 0.00 C ATOM 2001 CG2 VAL B 58 18.124 6.536 -0.136 1.00 0.00 C ATOM 0 H VAL B 58 20.232 7.210 -0.331 1.00 0.00 H new ATOM 0 HA VAL B 58 19.559 6.892 -3.154 1.00 0.00 H new ATOM 0 HB VAL B 58 17.133 7.071 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL B 58 17.251 4.594 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL B 58 18.006 5.190 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL B 58 19.024 4.678 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL B 58 17.279 5.965 0.248 1.00 0.00 H new ATOM 0 HG22 VAL B 58 19.055 6.062 0.176 1.00 0.00 H new ATOM 0 HG23 VAL B 58 18.084 7.551 0.258 1.00 0.00 H new ATOM 2011 N ARG B 59 18.602 9.585 -1.461 1.00 0.00 N ATOM 2012 CA ARG B 59 18.137 10.980 -1.680 1.00 0.00 C ATOM 2013 C ARG B 59 19.179 11.732 -2.518 1.00 0.00 C ATOM 2014 O ARG B 59 18.884 12.727 -3.149 1.00 0.00 O ATOM 2015 CB ARG B 59 17.961 11.684 -0.332 1.00 0.00 C ATOM 2016 CG ARG B 59 17.128 10.803 0.600 1.00 0.00 C ATOM 2017 CD ARG B 59 16.693 11.613 1.823 1.00 0.00 C ATOM 2018 NE ARG B 59 17.791 11.618 2.832 1.00 0.00 N ATOM 2019 CZ ARG B 59 17.507 11.692 4.104 1.00 0.00 C ATOM 2020 NH1 ARG B 59 16.451 12.349 4.501 1.00 0.00 N ATOM 2021 NH2 ARG B 59 18.279 11.109 4.980 1.00 0.00 N ATOM 0 H ARG B 59 18.768 9.324 -0.489 1.00 0.00 H new ATOM 0 HA ARG B 59 17.182 10.967 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG B 59 18.935 11.885 0.115 1.00 0.00 H new ATOM 0 HB3 ARG B 59 17.470 12.647 -0.474 1.00 0.00 H new ATOM 0 HG2 ARG B 59 16.253 10.425 0.072 1.00 0.00 H new ATOM 0 HG3 ARG B 59 17.710 9.937 0.914 1.00 0.00 H new ATOM 0 HD2 ARG B 59 16.450 12.634 1.529 1.00 0.00 H new ATOM 0 HD3 ARG B 59 15.790 11.183 2.255 1.00 0.00 H new ATOM 0 HE ARG B 59 18.763 11.564 2.528 1.00 0.00 H new ATOM 0 HH11 ARG B 59 15.847 12.805 3.817 1.00 0.00 H new ATOM 0 HH12 ARG B 59 16.230 12.406 5.495 1.00 0.00 H new ATOM 0 HH21 ARG B 59 19.104 10.596 4.671 1.00 0.00 H new ATOM 0 HH22 ARG B 59 18.057 11.167 5.974 1.00 0.00 H new ATOM 2035 N GLU B 60 20.398 11.257 -2.529 1.00 0.00 N ATOM 2036 CA GLU B 60 21.465 11.930 -3.322 1.00 0.00 C ATOM 2037 C GLU B 60 21.540 11.306 -4.719 1.00 0.00 C ATOM 2038 O GLU B 60 22.069 11.894 -5.641 1.00 0.00 O ATOM 2039 CB GLU B 60 22.809 11.751 -2.608 1.00 0.00 C ATOM 2040 CG GLU B 60 23.344 13.114 -2.167 1.00 0.00 C ATOM 2041 CD GLU B 60 24.761 13.310 -2.709 1.00 0.00 C ATOM 2042 OE1 GLU B 60 24.887 13.760 -3.836 1.00 0.00 O ATOM 2043 OE2 GLU B 60 25.697 13.006 -1.987 1.00 0.00 O ATOM 0 H GLU B 60 20.700 10.427 -2.019 1.00 0.00 H new ATOM 0 HA GLU B 60 21.237 12.992 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU B 60 22.688 11.100 -1.742 1.00 0.00 H new ATOM 0 HB3 GLU B 60 23.524 11.267 -3.274 1.00 0.00 H new ATOM 0 HG2 GLU B 60 22.691 13.907 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU B 60 23.348 13.180 -1.079 1.00 0.00 H new ATOM 2050 N TYR B 61 21.007 10.126 -4.886 1.00 0.00 N ATOM 2051 CA TYR B 61 21.037 9.472 -6.224 1.00 0.00 C ATOM 2052 C TYR B 61 19.844 9.980 -7.027 1.00 0.00 C ATOM 2053 O TYR B 61 19.984 10.547 -8.092 1.00 0.00 O ATOM 2054 CB TYR B 61 20.933 7.952 -6.050 1.00 0.00 C ATOM 2055 CG TYR B 61 22.308 7.350 -5.842 1.00 0.00 C ATOM 2056 CD1 TYR B 61 23.301 8.065 -5.132 1.00 0.00 C ATOM 2057 CD2 TYR B 61 22.590 6.054 -6.333 1.00 0.00 C ATOM 2058 CE1 TYR B 61 24.570 7.488 -4.916 1.00 0.00 C ATOM 2059 CE2 TYR B 61 23.863 5.480 -6.118 1.00 0.00 C ATOM 2060 CZ TYR B 61 24.852 6.197 -5.410 1.00 0.00 C ATOM 2061 OH TYR B 61 26.095 5.634 -5.200 1.00 0.00 O ATOM 0 H TYR B 61 20.551 9.586 -4.151 1.00 0.00 H new ATOM 0 HA TYR B 61 21.967 9.706 -6.742 1.00 0.00 H new ATOM 0 HB2 TYR B 61 20.294 7.720 -5.198 1.00 0.00 H new ATOM 0 HB3 TYR B 61 20.464 7.510 -6.929 1.00 0.00 H new ATOM 0 HD1 TYR B 61 23.087 9.054 -4.755 1.00 0.00 H new ATOM 0 HD2 TYR B 61 21.833 5.504 -6.872 1.00 0.00 H new ATOM 0 HE1 TYR B 61 25.326 8.035 -4.372 1.00 0.00 H new ATOM 0 HE2 TYR B 61 24.080 4.492 -6.496 1.00 0.00 H new ATOM 0 HH TYR B 61 26.122 4.741 -5.604 1.00 0.00 H new ATOM 2071 N ILE B 62 18.666 9.791 -6.500 1.00 0.00 N ATOM 2072 CA ILE B 62 17.430 10.265 -7.181 1.00 0.00 C ATOM 2073 C ILE B 62 17.626 11.720 -7.640 1.00 0.00 C ATOM 2074 O ILE B 62 17.409 12.054 -8.787 1.00 0.00 O ATOM 2075 CB ILE B 62 16.268 10.164 -6.173 1.00 0.00 C ATOM 2076 CG1 ILE B 62 15.798 8.710 -6.090 1.00 0.00 C ATOM 2077 CG2 ILE B 62 15.093 11.044 -6.603 1.00 0.00 C ATOM 2078 CD1 ILE B 62 16.481 8.018 -4.909 1.00 0.00 C ATOM 0 H ILE B 62 18.506 9.319 -5.610 1.00 0.00 H new ATOM 0 HA ILE B 62 17.210 9.658 -8.059 1.00 0.00 H new ATOM 0 HB ILE B 62 16.623 10.506 -5.201 1.00 0.00 H new ATOM 0 HG12 ILE B 62 14.715 8.673 -5.970 1.00 0.00 H new ATOM 0 HG13 ILE B 62 16.034 8.187 -7.017 1.00 0.00 H new ATOM 0 HG21 ILE B 62 14.286 10.955 -5.875 1.00 0.00 H new ATOM 0 HG22 ILE B 62 15.418 12.083 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE B 62 14.736 10.722 -7.581 1.00 0.00 H new ATOM 0 HD11 ILE B 62 16.146 6.982 -4.851 1.00 0.00 H new ATOM 0 HD12 ILE B 62 17.562 8.042 -5.049 1.00 0.00 H new ATOM 0 HD13 ILE B 62 16.223 8.536 -3.985 1.00 0.00 H new ATOM 2090 N ASN B 63 18.033 12.582 -6.749 1.00 0.00 N ATOM 2091 CA ASN B 63 18.240 14.009 -7.131 1.00 0.00 C ATOM 2092 C ASN B 63 19.179 14.088 -8.336 1.00 0.00 C ATOM 2093 O ASN B 63 18.948 14.833 -9.268 1.00 0.00 O ATOM 2094 CB ASN B 63 18.856 14.768 -5.953 1.00 0.00 C ATOM 2095 CG ASN B 63 18.076 16.063 -5.716 1.00 0.00 C ATOM 2096 OD1 ASN B 63 18.221 17.016 -6.455 1.00 0.00 O ATOM 2097 ND2 ASN B 63 17.248 16.137 -4.710 1.00 0.00 N ATOM 0 H ASN B 63 18.231 12.361 -5.773 1.00 0.00 H new ATOM 0 HA ASN B 63 17.281 14.456 -7.391 1.00 0.00 H new ATOM 0 HB2 ASN B 63 18.834 14.149 -5.056 1.00 0.00 H new ATOM 0 HB3 ASN B 63 19.902 14.994 -6.159 1.00 0.00 H new ATOM 0 HD21 ASN B 63 16.722 16.995 -4.544 1.00 0.00 H new ATOM 0 HD22 ASN B 63 17.126 15.337 -4.090 1.00 0.00 H new ATOM 2104 N SER B 64 20.236 13.321 -8.329 1.00 0.00 N ATOM 2105 CA SER B 64 21.184 13.352 -9.478 1.00 0.00 C ATOM 2106 C SER B 64 20.422 13.058 -10.771 1.00 0.00 C ATOM 2107 O SER B 64 20.689 13.636 -11.806 1.00 0.00 O ATOM 2108 CB SER B 64 22.271 12.294 -9.272 1.00 0.00 C ATOM 2109 OG SER B 64 23.193 12.743 -8.291 1.00 0.00 O ATOM 0 H SER B 64 20.483 12.676 -7.579 1.00 0.00 H new ATOM 0 HA SER B 64 21.646 14.337 -9.544 1.00 0.00 H new ATOM 0 HB2 SER B 64 21.821 11.352 -8.958 1.00 0.00 H new ATOM 0 HB3 SER B 64 22.789 12.103 -10.212 1.00 0.00 H new ATOM 0 HG SER B 64 22.863 12.506 -7.399 1.00 0.00 H new ATOM 2115 N LEU B 65 19.474 12.164 -10.719 1.00 0.00 N ATOM 2116 CA LEU B 65 18.693 11.833 -11.943 1.00 0.00 C ATOM 2117 C LEU B 65 17.899 13.064 -12.387 1.00 0.00 C ATOM 2118 O LEU B 65 17.754 14.019 -11.648 1.00 0.00 O ATOM 2119 CB LEU B 65 17.726 10.686 -11.638 1.00 0.00 C ATOM 2120 CG LEU B 65 18.515 9.468 -11.154 1.00 0.00 C ATOM 2121 CD1 LEU B 65 17.558 8.462 -10.510 1.00 0.00 C ATOM 2122 CD2 LEU B 65 19.218 8.811 -12.344 1.00 0.00 C ATOM 0 H LEU B 65 19.206 11.648 -9.881 1.00 0.00 H new ATOM 0 HA LEU B 65 19.374 11.531 -12.739 1.00 0.00 H new ATOM 0 HB2 LEU B 65 17.009 10.994 -10.877 1.00 0.00 H new ATOM 0 HB3 LEU B 65 17.154 10.431 -12.530 1.00 0.00 H new ATOM 0 HG LEU B 65 19.257 9.784 -10.421 1.00 0.00 H new ATOM 0 HD11 LEU B 65 18.120 7.594 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU B 65 17.056 8.929 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU B 65 16.816 8.146 -11.243 1.00 0.00 H new ATOM 0 HD21 LEU B 65 19.781 7.943 -12.000 1.00 0.00 H new ATOM 0 HD22 LEU B 65 18.475 8.495 -13.076 1.00 0.00 H new ATOM 0 HD23 LEU B 65 19.900 9.526 -12.804 1.00 0.00 H new