USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 845 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 Single : A 4 THR OG1 : rot -34:sc= 0.159 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00604 USER MOD Single : A 11 MET CE :methyl -144:sc= -2.39! (180deg=-4.41!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -52:sc= 0.0738 USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.161 (180deg=-0.669) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= -0.0177 (180deg=-0.0517) USER MOD Single : A 28 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.25) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.103 F(o=-1.3,f=-0.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 51 SER OG : rot -119:sc= 1.27 USER MOD Single : A 54 SER OG : rot -92:sc= 0.109 USER MOD Single : A 55 SER OG : rot -170:sc= -0.472 USER MOD Single : A 59 ASN : amide:sc= -0.801 X(o=-0.8,f=-0.64) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 64 SER OG : rot 43:sc= 0.0104 USER MOD Single : A 66 THR OG1 : rot -52:sc= 0.865 USER MOD Single : A 67 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.9) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -0.0199 (180deg=-0.234) USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00943) USER MOD Single : A 90 HIS : no HD1:sc=-0.00323 X(o=-0.0032,f=-0.014) USER MOD Single : A 91 THR OG1 : rot -157:sc= 0.0706 USER MOD Single : A 97 TYR OH : rot 96:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 4 0.705 -7.896 0.297 1.00 72.43 N ATOM 39 CA THR A 4 1.136 -9.286 0.387 1.00 13.31 C ATOM 40 C THR A 4 0.730 -9.902 1.721 1.00 12.52 C ATOM 41 O THR A 4 1.429 -10.761 2.258 1.00 75.43 O ATOM 42 CB THR A 4 2.662 -9.413 0.219 1.00 14.41 C ATOM 43 OG1 THR A 4 3.329 -8.522 1.120 1.00 44.24 O ATOM 44 CG2 THR A 4 3.076 -9.101 -1.211 1.00 23.20 C ATOM 0 HA THR A 4 0.643 -9.823 -0.423 1.00 13.31 H new ATOM 0 HB THR A 4 2.947 -10.440 0.447 1.00 14.41 H new ATOM 0 HG1 THR A 4 2.792 -7.710 1.235 1.00 44.24 H new ATOM 0 HG21 THR A 4 4.158 -9.197 -1.306 1.00 23.20 H new ATOM 0 HG22 THR A 4 2.589 -9.799 -1.891 1.00 23.20 H new ATOM 0 HG23 THR A 4 2.779 -8.083 -1.462 1.00 23.20 H new ATOM 52 N VAL A 5 -0.405 -9.457 2.252 1.00 3.34 N ATOM 53 CA VAL A 5 -0.905 -9.966 3.524 1.00 42.22 C ATOM 54 C VAL A 5 -2.358 -9.561 3.744 1.00 20.14 C ATOM 55 O VAL A 5 -2.716 -8.391 3.601 1.00 22.31 O ATOM 56 CB VAL A 5 -0.057 -9.457 4.705 1.00 63.33 C ATOM 57 CG1 VAL A 5 -0.111 -7.939 4.787 1.00 61.44 C ATOM 58 CG2 VAL A 5 -0.526 -10.087 6.007 1.00 14.14 C ATOM 0 H VAL A 5 -0.995 -8.745 1.821 1.00 3.34 H new ATOM 0 HA VAL A 5 -0.836 -11.053 3.479 1.00 42.22 H new ATOM 0 HB VAL A 5 0.980 -9.750 4.539 1.00 63.33 H new ATOM 0 HG11 VAL A 5 0.494 -7.598 5.627 1.00 61.44 H new ATOM 0 HG12 VAL A 5 0.277 -7.511 3.863 1.00 61.44 H new ATOM 0 HG13 VAL A 5 -1.143 -7.619 4.930 1.00 61.44 H new ATOM 0 HG21 VAL A 5 0.084 -9.716 6.831 1.00 14.14 H new ATOM 0 HG22 VAL A 5 -1.570 -9.826 6.182 1.00 14.14 H new ATOM 0 HG23 VAL A 5 -0.429 -11.171 5.943 1.00 14.14 H new ATOM 68 N CYS A 6 -3.191 -10.535 4.094 1.00 2.01 N ATOM 69 CA CYS A 6 -4.607 -10.281 4.335 1.00 42.53 C ATOM 70 C CYS A 6 -4.963 -10.528 5.797 1.00 2.51 C ATOM 71 O CYS A 6 -4.782 -11.631 6.314 1.00 14.41 O ATOM 72 CB CYS A 6 -5.466 -11.166 3.431 1.00 32.24 C ATOM 73 SG CYS A 6 -6.582 -10.249 2.344 1.00 42.14 S ATOM 0 H CYS A 6 -2.910 -11.508 4.217 1.00 2.01 H new ATOM 0 HA CYS A 6 -4.808 -9.235 4.104 1.00 42.53 H new ATOM 0 HB2 CYS A 6 -4.811 -11.787 2.820 1.00 32.24 H new ATOM 0 HB3 CYS A 6 -6.055 -11.840 4.054 1.00 32.24 H new ATOM 0 HG CYS A 6 -7.264 -11.084 1.618 1.00 42.14 H new ATOM 79 N THR A 7 -5.468 -9.492 6.461 1.00 74.42 N ATOM 80 CA THR A 7 -5.847 -9.596 7.864 1.00 0.34 C ATOM 81 C THR A 7 -7.353 -9.772 8.016 1.00 75.41 C ATOM 82 O THR A 7 -8.133 -9.228 7.233 1.00 33.45 O ATOM 83 CB THR A 7 -5.405 -8.352 8.658 1.00 10.04 C ATOM 84 OG1 THR A 7 -4.718 -7.439 7.796 1.00 44.22 O ATOM 85 CG2 THR A 7 -4.499 -8.743 9.816 1.00 14.05 C ATOM 0 H THR A 7 -5.624 -8.572 6.049 1.00 74.42 H new ATOM 0 HA THR A 7 -5.340 -10.474 8.264 1.00 0.34 H new ATOM 0 HB THR A 7 -6.296 -7.870 9.061 1.00 10.04 H new ATOM 0 HG1 THR A 7 -4.442 -6.650 8.308 1.00 44.22 H new ATOM 0 HG21 THR A 7 -4.200 -7.848 10.362 1.00 14.05 H new ATOM 0 HG22 THR A 7 -5.035 -9.415 10.486 1.00 14.05 H new ATOM 0 HG23 THR A 7 -3.612 -9.246 9.430 1.00 14.05 H new ATOM 93 N ILE A 8 -7.756 -10.535 9.027 1.00 73.04 N ATOM 94 CA ILE A 8 -9.170 -10.781 9.281 1.00 73.21 C ATOM 95 C ILE A 8 -9.531 -10.469 10.729 1.00 2.03 C ATOM 96 O ILE A 8 -8.737 -9.882 11.464 1.00 33.25 O ATOM 97 CB ILE A 8 -9.552 -12.241 8.972 1.00 51.11 C ATOM 98 CG1 ILE A 8 -8.298 -13.068 8.682 1.00 32.50 C ATOM 99 CG2 ILE A 8 -10.515 -12.299 7.796 1.00 52.34 C ATOM 100 CD1 ILE A 8 -7.722 -12.830 7.304 1.00 2.30 C ATOM 0 H ILE A 8 -7.123 -10.993 9.683 1.00 73.04 H new ATOM 0 HA ILE A 8 -9.729 -10.120 8.619 1.00 73.21 H new ATOM 0 HB ILE A 8 -10.050 -12.664 9.845 1.00 51.11 H new ATOM 0 HG12 ILE A 8 -7.539 -12.836 9.429 1.00 32.50 H new ATOM 0 HG13 ILE A 8 -8.538 -14.126 8.789 1.00 32.50 H new ATOM 0 HG21 ILE A 8 -10.775 -13.337 7.590 1.00 52.34 H new ATOM 0 HG22 ILE A 8 -11.419 -11.739 8.038 1.00 52.34 H new ATOM 0 HG23 ILE A 8 -10.042 -11.862 6.916 1.00 52.34 H new ATOM 0 HD11 ILE A 8 -6.835 -13.449 7.168 1.00 2.30 H new ATOM 0 HD12 ILE A 8 -8.465 -13.089 6.549 1.00 2.30 H new ATOM 0 HD13 ILE A 8 -7.450 -11.780 7.200 1.00 2.30 H new ATOM 112 N ALA A 9 -10.733 -10.867 11.133 1.00 23.12 N ATOM 113 CA ALA A 9 -11.197 -10.633 12.495 1.00 73.41 C ATOM 114 C ALA A 9 -10.087 -10.896 13.506 1.00 2.14 C ATOM 115 O ALA A 9 -9.829 -10.075 14.387 1.00 51.44 O ATOM 116 CB ALA A 9 -12.406 -11.506 12.797 1.00 33.32 C ATOM 0 H ALA A 9 -11.403 -11.353 10.537 1.00 23.12 H new ATOM 0 HA ALA A 9 -11.488 -9.586 12.579 1.00 73.41 H new ATOM 0 HB1 ALA A 9 -12.742 -11.321 13.817 1.00 33.32 H new ATOM 0 HB2 ALA A 9 -13.210 -11.267 12.101 1.00 33.32 H new ATOM 0 HB3 ALA A 9 -12.133 -12.556 12.689 1.00 33.32 H new ATOM 122 N ASP A 10 -9.433 -12.045 13.375 1.00 11.13 N ATOM 123 CA ASP A 10 -8.349 -12.415 14.278 1.00 34.42 C ATOM 124 C ASP A 10 -7.432 -13.448 13.631 1.00 42.22 C ATOM 125 O ASP A 10 -7.258 -14.550 14.150 1.00 73.24 O ATOM 126 CB ASP A 10 -8.914 -12.967 15.588 1.00 35.00 C ATOM 127 CG ASP A 10 -8.002 -12.701 16.769 1.00 34.15 C ATOM 128 OD1 ASP A 10 -6.786 -12.517 16.551 1.00 34.42 O ATOM 129 OD2 ASP A 10 -8.505 -12.676 17.912 1.00 2.33 O ATOM 0 H ASP A 10 -9.634 -12.736 12.652 1.00 11.13 H new ATOM 0 HA ASP A 10 -7.765 -11.520 14.491 1.00 34.42 H new ATOM 0 HB2 ASP A 10 -9.889 -12.518 15.777 1.00 35.00 H new ATOM 0 HB3 ASP A 10 -9.071 -14.041 15.489 1.00 35.00 H new ATOM 134 N MET A 11 -6.848 -13.083 12.494 1.00 3.22 N ATOM 135 CA MET A 11 -5.948 -13.978 11.776 1.00 3.22 C ATOM 136 C MET A 11 -5.145 -13.215 10.727 1.00 55.03 C ATOM 137 O MET A 11 -5.553 -12.143 10.276 1.00 24.44 O ATOM 138 CB MET A 11 -6.739 -15.105 11.110 1.00 11.01 C ATOM 139 CG MET A 11 -5.895 -16.324 10.774 1.00 51.43 C ATOM 140 SD MET A 11 -6.756 -17.491 9.702 1.00 12.34 S ATOM 141 CE MET A 11 -8.414 -17.408 10.375 1.00 31.14 C ATOM 0 H MET A 11 -6.982 -12.174 12.050 1.00 3.22 H new ATOM 0 HA MET A 11 -5.253 -14.409 12.497 1.00 3.22 H new ATOM 0 HB2 MET A 11 -7.552 -15.407 11.771 1.00 11.01 H new ATOM 0 HB3 MET A 11 -7.196 -14.726 10.196 1.00 11.01 H new ATOM 0 HG2 MET A 11 -4.975 -16.001 10.288 1.00 51.43 H new ATOM 0 HG3 MET A 11 -5.608 -16.828 11.697 1.00 51.43 H new ATOM 0 HE1 MET A 11 -8.875 -18.395 10.331 1.00 31.14 H new ATOM 0 HE2 MET A 11 -8.370 -17.075 11.412 1.00 31.14 H new ATOM 0 HE3 MET A 11 -9.008 -16.704 9.793 1.00 31.14 H new ATOM 151 N THR A 12 -4.002 -13.773 10.340 1.00 34.55 N ATOM 152 CA THR A 12 -3.143 -13.145 9.345 1.00 23.24 C ATOM 153 C THR A 12 -2.795 -14.119 8.226 1.00 62.33 C ATOM 154 O THR A 12 -1.943 -14.992 8.391 1.00 23.30 O ATOM 155 CB THR A 12 -1.840 -12.622 9.979 1.00 64.23 C ATOM 156 OG1 THR A 12 -2.128 -11.954 11.212 1.00 51.43 O ATOM 157 CG2 THR A 12 -1.124 -11.668 9.034 1.00 23.52 C ATOM 0 H THR A 12 -3.650 -14.660 10.701 1.00 34.55 H new ATOM 0 HA THR A 12 -3.700 -12.305 8.931 1.00 23.24 H new ATOM 0 HB THR A 12 -1.188 -13.474 10.173 1.00 64.23 H new ATOM 0 HG1 THR A 12 -1.294 -11.626 11.609 1.00 51.43 H new ATOM 0 HG21 THR A 12 -0.207 -11.311 9.503 1.00 23.52 H new ATOM 0 HG22 THR A 12 -0.880 -12.188 8.108 1.00 23.52 H new ATOM 0 HG23 THR A 12 -1.772 -10.820 8.813 1.00 23.52 H new ATOM 165 N VAL A 13 -3.459 -13.964 7.085 1.00 72.12 N ATOM 166 CA VAL A 13 -3.219 -14.829 5.936 1.00 24.42 C ATOM 167 C VAL A 13 -2.111 -14.271 5.050 1.00 52.32 C ATOM 168 O VAL A 13 -1.973 -13.056 4.903 1.00 24.22 O ATOM 169 CB VAL A 13 -4.495 -15.010 5.093 1.00 65.04 C ATOM 170 CG1 VAL A 13 -4.238 -15.961 3.934 1.00 74.42 C ATOM 171 CG2 VAL A 13 -5.640 -15.509 5.960 1.00 20.51 C ATOM 0 H VAL A 13 -4.168 -13.247 6.932 1.00 72.12 H new ATOM 0 HA VAL A 13 -2.912 -15.799 6.328 1.00 24.42 H new ATOM 0 HB VAL A 13 -4.778 -14.041 4.681 1.00 65.04 H new ATOM 0 HG11 VAL A 13 -5.151 -16.077 3.349 1.00 74.42 H new ATOM 0 HG12 VAL A 13 -3.449 -15.557 3.299 1.00 74.42 H new ATOM 0 HG13 VAL A 13 -3.930 -16.932 4.322 1.00 74.42 H new ATOM 0 HG21 VAL A 13 -6.533 -15.631 5.348 1.00 20.51 H new ATOM 0 HG22 VAL A 13 -5.370 -16.468 6.403 1.00 20.51 H new ATOM 0 HG23 VAL A 13 -5.839 -14.786 6.752 1.00 20.51 H new ATOM 181 N ASP A 14 -1.325 -15.165 4.460 1.00 14.22 N ATOM 182 CA ASP A 14 -0.230 -14.762 3.586 1.00 51.32 C ATOM 183 C ASP A 14 -0.444 -15.286 2.170 1.00 70.55 C ATOM 184 O ASP A 14 -0.543 -16.494 1.953 1.00 11.20 O ATOM 185 CB ASP A 14 1.103 -15.270 4.136 1.00 64.44 C ATOM 186 CG ASP A 14 2.161 -14.186 4.184 1.00 3.43 C ATOM 187 OD1 ASP A 14 2.178 -13.333 3.273 1.00 40.44 O ATOM 188 OD2 ASP A 14 2.973 -14.190 5.134 1.00 70.04 O ATOM 0 H ASP A 14 -1.426 -16.174 4.571 1.00 14.22 H new ATOM 0 HA ASP A 14 -0.208 -13.673 3.551 1.00 51.32 H new ATOM 0 HB2 ASP A 14 0.950 -15.669 5.139 1.00 64.44 H new ATOM 0 HB3 ASP A 14 1.458 -16.093 3.516 1.00 64.44 H new ATOM 193 N MET A 15 -0.515 -14.371 1.209 1.00 13.31 N ATOM 194 CA MET A 15 -0.718 -14.742 -0.187 1.00 5.23 C ATOM 195 C MET A 15 0.600 -15.151 -0.837 1.00 3.31 C ATOM 196 O MET A 15 0.614 -15.741 -1.917 1.00 42.02 O ATOM 197 CB MET A 15 -1.342 -13.579 -0.960 1.00 73.24 C ATOM 198 CG MET A 15 -0.370 -12.445 -1.243 1.00 73.30 C ATOM 199 SD MET A 15 -1.112 -11.121 -2.217 1.00 63.52 S ATOM 200 CE MET A 15 -0.871 -11.748 -3.878 1.00 12.21 C ATOM 0 H MET A 15 -0.435 -13.367 1.371 1.00 13.31 H new ATOM 0 HA MET A 15 -1.397 -15.594 -0.216 1.00 5.23 H new ATOM 0 HB2 MET A 15 -1.737 -13.952 -1.905 1.00 73.24 H new ATOM 0 HB3 MET A 15 -2.187 -13.189 -0.393 1.00 73.24 H new ATOM 0 HG2 MET A 15 -0.008 -12.037 -0.299 1.00 73.30 H new ATOM 0 HG3 MET A 15 0.497 -12.839 -1.773 1.00 73.30 H new ATOM 0 HE1 MET A 15 -1.279 -11.038 -4.598 1.00 12.21 H new ATOM 0 HE2 MET A 15 0.194 -11.883 -4.065 1.00 12.21 H new ATOM 0 HE3 MET A 15 -1.382 -12.705 -3.983 1.00 12.21 H new ATOM 210 N VAL A 16 1.707 -14.833 -0.172 1.00 52.13 N ATOM 211 CA VAL A 16 3.030 -15.168 -0.685 1.00 73.14 C ATOM 212 C VAL A 16 3.635 -16.340 0.079 1.00 73.55 C ATOM 213 O VAL A 16 4.397 -17.131 -0.479 1.00 13.33 O ATOM 214 CB VAL A 16 3.987 -13.964 -0.599 1.00 31.42 C ATOM 215 CG1 VAL A 16 3.606 -12.904 -1.621 1.00 32.31 C ATOM 216 CG2 VAL A 16 3.987 -13.385 0.808 1.00 44.13 C ATOM 0 H VAL A 16 1.713 -14.344 0.723 1.00 52.13 H new ATOM 0 HA VAL A 16 2.903 -15.447 -1.731 1.00 73.14 H new ATOM 0 HB VAL A 16 4.996 -14.307 -0.827 1.00 31.42 H new ATOM 0 HG11 VAL A 16 4.293 -12.061 -1.545 1.00 32.31 H new ATOM 0 HG12 VAL A 16 3.662 -13.328 -2.623 1.00 32.31 H new ATOM 0 HG13 VAL A 16 2.589 -12.561 -1.428 1.00 32.31 H new ATOM 0 HG21 VAL A 16 4.668 -12.535 0.852 1.00 44.13 H new ATOM 0 HG22 VAL A 16 2.980 -13.057 1.066 1.00 44.13 H new ATOM 0 HG23 VAL A 16 4.313 -14.148 1.515 1.00 44.13 H new ATOM 226 N ARG A 17 3.290 -16.447 1.358 1.00 73.35 N ATOM 227 CA ARG A 17 3.799 -17.523 2.199 1.00 64.30 C ATOM 228 C ARG A 17 2.766 -18.637 2.343 1.00 41.11 C ATOM 229 O ARG A 17 3.098 -19.760 2.723 1.00 41.15 O ATOM 230 CB ARG A 17 4.179 -16.984 3.579 1.00 0.22 C ATOM 231 CG ARG A 17 5.096 -15.773 3.529 1.00 42.13 C ATOM 232 CD ARG A 17 6.047 -15.744 4.715 1.00 20.31 C ATOM 233 NE ARG A 17 7.215 -16.594 4.501 1.00 44.12 N ATOM 234 CZ ARG A 17 8.154 -16.798 5.418 1.00 31.04 C ATOM 235 NH1 ARG A 17 8.061 -16.217 6.607 1.00 63.23 N ATOM 236 NH2 ARG A 17 9.188 -17.585 5.148 1.00 35.14 N ATOM 0 H ARG A 17 2.660 -15.801 1.834 1.00 73.35 H new ATOM 0 HA ARG A 17 4.687 -17.935 1.720 1.00 64.30 H new ATOM 0 HB2 ARG A 17 3.270 -16.719 4.119 1.00 0.22 H new ATOM 0 HB3 ARG A 17 4.667 -17.776 4.147 1.00 0.22 H new ATOM 0 HG2 ARG A 17 5.669 -15.788 2.602 1.00 42.13 H new ATOM 0 HG3 ARG A 17 4.497 -14.862 3.519 1.00 42.13 H new ATOM 0 HD2 ARG A 17 6.372 -14.719 4.894 1.00 20.31 H new ATOM 0 HD3 ARG A 17 5.519 -16.072 5.611 1.00 20.31 H new ATOM 0 HE ARG A 17 7.315 -17.057 3.597 1.00 44.12 H new ATOM 0 HH11 ARG A 17 7.267 -15.612 6.818 1.00 63.23 H new ATOM 0 HH12 ARG A 17 8.783 -16.375 7.310 1.00 63.23 H new ATOM 0 HH21 ARG A 17 9.262 -18.034 4.235 1.00 35.14 H new ATOM 0 HH22 ARG A 17 9.908 -17.741 5.853 1.00 35.14 H new ATOM 250 N ARG A 18 1.513 -18.317 2.038 1.00 72.24 N ATOM 251 CA ARG A 18 0.431 -19.290 2.135 1.00 50.35 C ATOM 252 C ARG A 18 0.321 -19.841 3.553 1.00 21.01 C ATOM 253 O ARG A 18 0.303 -21.055 3.760 1.00 52.10 O ATOM 254 CB ARG A 18 0.657 -20.436 1.147 1.00 53.44 C ATOM 255 CG ARG A 18 0.381 -20.056 -0.299 1.00 65.33 C ATOM 256 CD ARG A 18 1.571 -19.345 -0.925 1.00 10.44 C ATOM 257 NE ARG A 18 1.617 -19.525 -2.373 1.00 50.42 N ATOM 258 CZ ARG A 18 2.093 -20.615 -2.963 1.00 61.34 C ATOM 259 NH1 ARG A 18 2.561 -21.618 -2.233 1.00 11.12 N ATOM 260 NH2 ARG A 18 2.101 -20.705 -4.287 1.00 43.22 N ATOM 0 H ARG A 18 1.222 -17.392 1.722 1.00 72.24 H new ATOM 0 HA ARG A 18 -0.502 -18.784 1.887 1.00 50.35 H new ATOM 0 HB2 ARG A 18 1.687 -20.781 1.233 1.00 53.44 H new ATOM 0 HB3 ARG A 18 0.016 -21.274 1.422 1.00 53.44 H new ATOM 0 HG2 ARG A 18 0.148 -20.952 -0.874 1.00 65.33 H new ATOM 0 HG3 ARG A 18 -0.496 -19.410 -0.346 1.00 65.33 H new ATOM 0 HD2 ARG A 18 1.520 -18.281 -0.694 1.00 10.44 H new ATOM 0 HD3 ARG A 18 2.493 -19.724 -0.483 1.00 10.44 H new ATOM 0 HE ARG A 18 1.264 -18.772 -2.964 1.00 50.42 H new ATOM 0 HH11 ARG A 18 2.556 -21.554 -1.215 1.00 11.12 H new ATOM 0 HH12 ARG A 18 2.926 -22.454 -2.689 1.00 11.12 H new ATOM 0 HH21 ARG A 18 1.741 -19.936 -4.853 1.00 43.22 H new ATOM 0 HH22 ARG A 18 2.467 -21.543 -4.739 1.00 43.22 H new ATOM 274 N THR A 19 0.249 -18.941 4.529 1.00 54.44 N ATOM 275 CA THR A 19 0.142 -19.336 5.927 1.00 24.13 C ATOM 276 C THR A 19 -0.970 -18.569 6.633 1.00 50.23 C ATOM 277 O THR A 19 -1.498 -17.592 6.101 1.00 3.31 O ATOM 278 CB THR A 19 1.467 -19.104 6.679 1.00 72.12 C ATOM 279 OG1 THR A 19 1.645 -17.707 6.938 1.00 61.14 O ATOM 280 CG2 THR A 19 2.645 -19.630 5.874 1.00 63.35 C ATOM 0 H THR A 19 0.263 -17.933 4.376 1.00 54.44 H new ATOM 0 HA THR A 19 -0.092 -20.400 5.937 1.00 24.13 H new ATOM 0 HB THR A 19 1.423 -19.645 7.624 1.00 72.12 H new ATOM 0 HG1 THR A 19 2.488 -17.568 7.418 1.00 61.14 H new ATOM 0 HG21 THR A 19 3.569 -19.455 6.425 1.00 63.35 H new ATOM 0 HG22 THR A 19 2.521 -20.699 5.704 1.00 63.35 H new ATOM 0 HG23 THR A 19 2.691 -19.113 4.915 1.00 63.35 H new ATOM 288 N VAL A 20 -1.322 -19.017 7.834 1.00 52.34 N ATOM 289 CA VAL A 20 -2.371 -18.371 8.613 1.00 14.31 C ATOM 290 C VAL A 20 -1.981 -18.270 10.083 1.00 4.42 C ATOM 291 O VAL A 20 -1.780 -19.283 10.753 1.00 3.25 O ATOM 292 CB VAL A 20 -3.705 -19.132 8.499 1.00 32.40 C ATOM 293 CG1 VAL A 20 -4.459 -18.705 7.249 1.00 13.01 C ATOM 294 CG2 VAL A 20 -3.462 -20.634 8.498 1.00 72.13 C ATOM 0 H VAL A 20 -0.896 -19.825 8.288 1.00 52.34 H new ATOM 0 HA VAL A 20 -2.497 -17.369 8.203 1.00 14.31 H new ATOM 0 HB VAL A 20 -4.319 -18.886 9.366 1.00 32.40 H new ATOM 0 HG11 VAL A 20 -5.399 -19.254 7.186 1.00 13.01 H new ATOM 0 HG12 VAL A 20 -4.665 -17.636 7.296 1.00 13.01 H new ATOM 0 HG13 VAL A 20 -3.854 -18.919 6.368 1.00 13.01 H new ATOM 0 HG21 VAL A 20 -4.415 -21.157 8.417 1.00 72.13 H new ATOM 0 HG22 VAL A 20 -2.829 -20.900 7.651 1.00 72.13 H new ATOM 0 HG23 VAL A 20 -2.967 -20.923 9.425 1.00 72.13 H new ATOM 304 N ILE A 21 -1.875 -17.041 10.578 1.00 31.25 N ATOM 305 CA ILE A 21 -1.510 -16.808 11.970 1.00 1.12 C ATOM 306 C ILE A 21 -2.724 -16.395 12.795 1.00 30.44 C ATOM 307 O ILE A 21 -3.233 -15.283 12.657 1.00 42.04 O ATOM 308 CB ILE A 21 -0.426 -15.720 12.093 1.00 32.52 C ATOM 309 CG1 ILE A 21 0.897 -16.220 11.510 1.00 22.31 C ATOM 310 CG2 ILE A 21 -0.249 -15.311 13.548 1.00 74.13 C ATOM 311 CD1 ILE A 21 0.973 -16.111 10.003 1.00 2.23 C ATOM 0 H ILE A 21 -2.037 -16.192 10.036 1.00 31.25 H new ATOM 0 HA ILE A 21 -1.115 -17.748 12.354 1.00 1.12 H new ATOM 0 HB ILE A 21 -0.744 -14.845 11.526 1.00 32.52 H new ATOM 0 HG12 ILE A 21 1.716 -15.651 11.949 1.00 22.31 H new ATOM 0 HG13 ILE A 21 1.041 -17.261 11.799 1.00 22.31 H new ATOM 0 HG21 ILE A 21 0.520 -14.542 13.619 1.00 74.13 H new ATOM 0 HG22 ILE A 21 -1.191 -14.919 13.933 1.00 74.13 H new ATOM 0 HG23 ILE A 21 0.050 -16.179 14.136 1.00 74.13 H new ATOM 0 HD11 ILE A 21 1.938 -16.483 9.659 1.00 2.23 H new ATOM 0 HD12 ILE A 21 0.175 -16.703 9.555 1.00 2.23 H new ATOM 0 HD13 ILE A 21 0.861 -15.068 9.708 1.00 2.23 H new ATOM 323 N ARG A 22 -3.182 -17.299 13.656 1.00 55.33 N ATOM 324 CA ARG A 22 -4.337 -17.029 14.504 1.00 3.34 C ATOM 325 C ARG A 22 -3.897 -16.517 15.873 1.00 53.40 C ATOM 326 O ARG A 22 -3.194 -17.208 16.609 1.00 25.10 O ATOM 327 CB ARG A 22 -5.183 -18.293 14.669 1.00 43.35 C ATOM 328 CG ARG A 22 -6.634 -18.012 15.023 1.00 22.55 C ATOM 329 CD ARG A 22 -7.478 -17.787 13.779 1.00 32.00 C ATOM 330 NE ARG A 22 -7.421 -18.925 12.865 1.00 2.32 N ATOM 331 CZ ARG A 22 -8.129 -20.036 13.030 1.00 31.32 C ATOM 332 NH1 ARG A 22 -8.945 -20.159 14.068 1.00 3.33 N ATOM 333 NH2 ARG A 22 -8.023 -21.028 12.155 1.00 23.33 N ATOM 0 H ARG A 22 -2.771 -18.224 13.784 1.00 55.33 H new ATOM 0 HA ARG A 22 -4.938 -16.258 14.022 1.00 3.34 H new ATOM 0 HB2 ARG A 22 -5.148 -18.867 13.743 1.00 43.35 H new ATOM 0 HB3 ARG A 22 -4.742 -18.916 15.447 1.00 43.35 H new ATOM 0 HG2 ARG A 22 -7.039 -18.849 15.592 1.00 22.55 H new ATOM 0 HG3 ARG A 22 -6.689 -17.133 15.665 1.00 22.55 H new ATOM 0 HD2 ARG A 22 -8.513 -17.608 14.071 1.00 32.00 H new ATOM 0 HD3 ARG A 22 -7.132 -16.891 13.264 1.00 32.00 H new ATOM 0 HE ARG A 22 -6.803 -18.863 12.056 1.00 2.32 H new ATOM 0 HH11 ARG A 22 -9.030 -19.399 14.743 1.00 3.33 H new ATOM 0 HH12 ARG A 22 -9.487 -21.014 14.192 1.00 3.33 H new ATOM 0 HH21 ARG A 22 -7.397 -20.937 11.355 1.00 23.33 H new ATOM 0 HH22 ARG A 22 -8.567 -21.881 12.283 1.00 23.33 H new ATOM 347 N SER A 23 -4.317 -15.300 16.207 1.00 70.33 N ATOM 348 CA SER A 23 -3.963 -14.694 17.485 1.00 54.43 C ATOM 349 C SER A 23 -2.450 -14.682 17.680 1.00 33.14 C ATOM 350 O SER A 23 -1.958 -14.761 18.805 1.00 61.50 O ATOM 351 CB SER A 23 -4.632 -15.449 18.635 1.00 70.44 C ATOM 352 OG SER A 23 -4.699 -14.648 19.801 1.00 12.40 O ATOM 0 H SER A 23 -4.902 -14.715 15.610 1.00 70.33 H new ATOM 0 HA SER A 23 -4.319 -13.664 17.482 1.00 54.43 H new ATOM 0 HB2 SER A 23 -5.637 -15.751 18.340 1.00 70.44 H new ATOM 0 HB3 SER A 23 -4.074 -16.361 18.848 1.00 70.44 H new ATOM 0 HG SER A 23 -3.808 -14.296 20.008 1.00 12.40 H new ATOM 358 N GLY A 24 -1.718 -14.583 16.575 1.00 4.43 N ATOM 359 CA GLY A 24 -0.268 -14.563 16.646 1.00 52.34 C ATOM 360 C GLY A 24 0.329 -15.955 16.687 1.00 65.03 C ATOM 361 O GLY A 24 1.524 -16.119 16.933 1.00 25.25 O ATOM 0 H GLY A 24 -2.102 -14.516 15.633 1.00 4.43 H new ATOM 0 HA2 GLY A 24 0.128 -14.027 15.784 1.00 52.34 H new ATOM 0 HA3 GLY A 24 0.042 -14.012 17.534 1.00 52.34 H new ATOM 365 N LYS A 25 -0.503 -16.962 16.446 1.00 13.01 N ATOM 366 CA LYS A 25 -0.052 -18.348 16.457 1.00 63.32 C ATOM 367 C LYS A 25 -0.471 -19.067 15.179 1.00 73.14 C ATOM 368 O LYS A 25 -1.661 -19.218 14.901 1.00 72.42 O ATOM 369 CB LYS A 25 -0.617 -19.081 17.676 1.00 71.04 C ATOM 370 CG LYS A 25 -0.129 -18.523 19.001 1.00 22.13 C ATOM 371 CD LYS A 25 -1.060 -17.445 19.530 1.00 50.15 C ATOM 372 CE LYS A 25 -2.024 -18.000 20.567 1.00 62.10 C ATOM 373 NZ LYS A 25 -1.310 -18.514 21.769 1.00 43.43 N ATOM 0 H LYS A 25 -1.495 -16.844 16.240 1.00 13.01 H new ATOM 0 HA LYS A 25 1.037 -18.349 16.513 1.00 63.32 H new ATOM 0 HB2 LYS A 25 -1.705 -19.029 17.648 1.00 71.04 H new ATOM 0 HB3 LYS A 25 -0.346 -20.135 17.613 1.00 71.04 H new ATOM 0 HG2 LYS A 25 -0.053 -19.329 19.730 1.00 22.13 H new ATOM 0 HG3 LYS A 25 0.872 -18.111 18.876 1.00 22.13 H new ATOM 0 HD2 LYS A 25 -0.472 -16.640 19.972 1.00 50.15 H new ATOM 0 HD3 LYS A 25 -1.623 -17.012 18.703 1.00 50.15 H new ATOM 0 HE2 LYS A 25 -2.724 -17.220 20.866 1.00 62.10 H new ATOM 0 HE3 LYS A 25 -2.612 -18.803 20.123 1.00 62.10 H new ATOM 0 HZ1 LYS A 25 -1.918 -18.407 22.606 1.00 43.43 H new ATOM 0 HZ2 LYS A 25 -1.081 -19.519 21.633 1.00 43.43 H new ATOM 0 HZ3 LYS A 25 -0.432 -17.975 21.908 1.00 43.43 H new ATOM 387 N LYS A 26 0.513 -19.510 14.404 1.00 42.01 N ATOM 388 CA LYS A 26 0.247 -20.216 13.156 1.00 2.21 C ATOM 389 C LYS A 26 -0.535 -21.500 13.413 1.00 13.34 C ATOM 390 O LYS A 26 -0.075 -22.384 14.136 1.00 4.22 O ATOM 391 CB LYS A 26 1.560 -20.541 12.440 1.00 1.12 C ATOM 392 CG LYS A 26 1.370 -21.290 11.133 1.00 65.52 C ATOM 393 CD LYS A 26 2.683 -21.442 10.382 1.00 54.15 C ATOM 394 CE LYS A 26 3.218 -20.096 9.918 1.00 52.13 C ATOM 395 NZ LYS A 26 4.279 -20.247 8.884 1.00 24.44 N ATOM 0 H LYS A 26 1.503 -19.392 14.618 1.00 42.01 H new ATOM 0 HA LYS A 26 -0.355 -19.566 12.521 1.00 2.21 H new ATOM 0 HB2 LYS A 26 2.096 -19.613 12.243 1.00 1.12 H new ATOM 0 HB3 LYS A 26 2.188 -21.137 13.103 1.00 1.12 H new ATOM 0 HG2 LYS A 26 0.949 -22.275 11.335 1.00 65.52 H new ATOM 0 HG3 LYS A 26 0.652 -20.758 10.509 1.00 65.52 H new ATOM 0 HD2 LYS A 26 3.418 -21.925 11.026 1.00 54.15 H new ATOM 0 HD3 LYS A 26 2.537 -22.094 9.520 1.00 54.15 H new ATOM 0 HE2 LYS A 26 2.400 -19.500 9.514 1.00 52.13 H new ATOM 0 HE3 LYS A 26 3.619 -19.550 10.772 1.00 52.13 H new ATOM 0 HZ1 LYS A 26 4.570 -19.308 8.545 1.00 24.44 H new ATOM 0 HZ2 LYS A 26 5.099 -20.735 9.297 1.00 24.44 H new ATOM 0 HZ3 LYS A 26 3.910 -20.804 8.087 1.00 24.44 H new ATOM 409 N ILE A 27 -1.719 -21.596 12.817 1.00 44.42 N ATOM 410 CA ILE A 27 -2.563 -22.773 12.980 1.00 43.31 C ATOM 411 C ILE A 27 -1.993 -23.967 12.221 1.00 15.32 C ATOM 412 O ILE A 27 -1.436 -23.816 11.134 1.00 63.44 O ATOM 413 CB ILE A 27 -3.999 -22.507 12.493 1.00 15.02 C ATOM 414 CG1 ILE A 27 -4.617 -21.342 13.269 1.00 1.14 C ATOM 415 CG2 ILE A 27 -4.850 -23.760 12.643 1.00 45.13 C ATOM 416 CD1 ILE A 27 -4.671 -21.573 14.763 1.00 13.44 C ATOM 0 H ILE A 27 -2.115 -20.873 12.217 1.00 44.42 H new ATOM 0 HA ILE A 27 -2.586 -23.000 14.046 1.00 43.31 H new ATOM 0 HB ILE A 27 -3.964 -22.238 11.437 1.00 15.02 H new ATOM 0 HG12 ILE A 27 -4.042 -20.438 13.070 1.00 1.14 H new ATOM 0 HG13 ILE A 27 -5.627 -21.165 12.900 1.00 1.14 H new ATOM 0 HG21 ILE A 27 -5.862 -23.556 12.295 1.00 45.13 H new ATOM 0 HG22 ILE A 27 -4.418 -24.566 12.050 1.00 45.13 H new ATOM 0 HG23 ILE A 27 -4.880 -24.056 13.692 1.00 45.13 H new ATOM 0 HD11 ILE A 27 -5.121 -20.707 15.249 1.00 13.44 H new ATOM 0 HD12 ILE A 27 -5.271 -22.459 14.973 1.00 13.44 H new ATOM 0 HD13 ILE A 27 -3.661 -21.720 15.145 1.00 13.44 H new ATOM 428 N HIS A 28 -2.140 -25.154 12.801 1.00 5.23 N ATOM 429 CA HIS A 28 -1.642 -26.375 12.179 1.00 70.44 C ATOM 430 C HIS A 28 -2.754 -27.086 11.413 1.00 63.51 C ATOM 431 O HIS A 28 -3.864 -27.253 11.921 1.00 45.22 O ATOM 432 CB HIS A 28 -1.057 -27.311 13.237 1.00 1.32 C ATOM 433 CG HIS A 28 -2.033 -27.688 14.308 1.00 33.42 C ATOM 434 ND1 HIS A 28 -2.812 -28.825 14.250 1.00 53.32 N ATOM 435 CD2 HIS A 28 -2.354 -27.074 15.471 1.00 44.21 C ATOM 436 CE1 HIS A 28 -3.571 -28.892 15.329 1.00 2.23 C ATOM 437 NE2 HIS A 28 -3.311 -27.841 16.087 1.00 73.41 N ATOM 0 H HIS A 28 -2.600 -25.296 13.700 1.00 5.23 H new ATOM 0 HA HIS A 28 -0.857 -26.100 11.475 1.00 70.44 H new ATOM 0 HB2 HIS A 28 -0.697 -28.217 12.750 1.00 1.32 H new ATOM 0 HB3 HIS A 28 -0.193 -26.831 13.697 1.00 1.32 H new ATOM 0 HD2 HIS A 28 -1.935 -26.152 15.845 1.00 44.21 H new ATOM 0 HE1 HIS A 28 -4.283 -29.673 15.554 1.00 2.23 H new ATOM 0 HE2 HIS A 28 -3.750 -27.634 16.984 1.00 73.41 H new ATOM 445 N LEU A 29 -2.449 -27.503 10.189 1.00 71.40 N ATOM 446 CA LEU A 29 -3.423 -28.196 9.352 1.00 22.33 C ATOM 447 C LEU A 29 -2.777 -29.371 8.624 1.00 11.21 C ATOM 448 O LEU A 29 -1.572 -29.597 8.734 1.00 24.52 O ATOM 449 CB LEU A 29 -4.035 -27.228 8.339 1.00 0.40 C ATOM 450 CG LEU A 29 -4.706 -25.983 8.921 1.00 4.31 C ATOM 451 CD1 LEU A 29 -5.303 -25.131 7.812 1.00 14.33 C ATOM 452 CD2 LEU A 29 -5.775 -26.376 9.930 1.00 51.52 C ATOM 0 H LEU A 29 -1.536 -27.374 9.754 1.00 71.40 H new ATOM 0 HA LEU A 29 -4.211 -28.582 9.998 1.00 22.33 H new ATOM 0 HB2 LEU A 29 -3.251 -26.907 7.654 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -4.772 -27.771 7.747 1.00 0.40 H new ATOM 0 HG LEU A 29 -3.949 -25.392 9.436 1.00 4.31 H new ATOM 0 HD11 LEU A 29 -5.776 -24.250 8.245 1.00 14.33 H new ATOM 0 HD12 LEU A 29 -4.514 -24.820 7.127 1.00 14.33 H new ATOM 0 HD13 LEU A 29 -6.047 -25.712 7.268 1.00 14.33 H new ATOM 0 HD21 LEU A 29 -6.242 -25.478 10.334 1.00 51.52 H new ATOM 0 HD22 LEU A 29 -6.531 -26.989 9.439 1.00 51.52 H new ATOM 0 HD23 LEU A 29 -5.319 -26.944 10.741 1.00 51.52 H new ATOM 464 N THR A 30 -3.587 -30.115 7.877 1.00 30.13 N ATOM 465 CA THR A 30 -3.095 -31.265 7.130 1.00 72.52 C ATOM 466 C THR A 30 -3.045 -30.969 5.635 1.00 24.34 C ATOM 467 O THR A 30 -3.395 -29.874 5.197 1.00 24.34 O ATOM 468 CB THR A 30 -3.976 -32.507 7.366 1.00 23.11 C ATOM 469 OG1 THR A 30 -3.328 -33.673 6.845 1.00 75.15 O ATOM 470 CG2 THR A 30 -5.337 -32.339 6.707 1.00 5.23 C ATOM 0 H THR A 30 -4.587 -29.941 7.774 1.00 30.13 H new ATOM 0 HA THR A 30 -2.087 -31.469 7.492 1.00 72.52 H new ATOM 0 HB THR A 30 -4.123 -32.623 8.440 1.00 23.11 H new ATOM 0 HG1 THR A 30 -3.893 -34.458 7.000 1.00 75.15 H new ATOM 0 HG21 THR A 30 -5.941 -33.228 6.887 1.00 5.23 H new ATOM 0 HG22 THR A 30 -5.840 -31.468 7.127 1.00 5.23 H new ATOM 0 HG23 THR A 30 -5.207 -32.200 5.634 1.00 5.23 H new ATOM 478 N GLY A 31 -2.607 -31.954 4.856 1.00 40.30 N ATOM 479 CA GLY A 31 -2.519 -31.778 3.418 1.00 34.30 C ATOM 480 C GLY A 31 -3.842 -31.365 2.803 1.00 44.12 C ATOM 481 O GLY A 31 -3.915 -30.370 2.081 1.00 75.20 O ATOM 0 H GLY A 31 -2.312 -32.870 5.195 1.00 40.30 H new ATOM 0 HA2 GLY A 31 -1.766 -31.023 3.193 1.00 34.30 H new ATOM 0 HA3 GLY A 31 -2.184 -32.709 2.961 1.00 34.30 H new ATOM 485 N LYS A 32 -4.890 -32.131 3.087 1.00 44.32 N ATOM 486 CA LYS A 32 -6.216 -31.840 2.557 1.00 54.05 C ATOM 487 C LYS A 32 -6.677 -30.447 2.975 1.00 24.44 C ATOM 488 O LYS A 32 -7.055 -29.631 2.136 1.00 33.02 O ATOM 489 CB LYS A 32 -7.222 -32.888 3.039 1.00 1.34 C ATOM 490 CG LYS A 32 -6.955 -34.282 2.498 1.00 54.52 C ATOM 491 CD LYS A 32 -8.136 -35.208 2.736 1.00 11.33 C ATOM 492 CE LYS A 32 -7.887 -36.590 2.152 1.00 13.20 C ATOM 493 NZ LYS A 32 -8.667 -37.641 2.863 1.00 43.12 N ATOM 0 H LYS A 32 -4.846 -32.959 3.682 1.00 44.32 H new ATOM 0 HA LYS A 32 -6.159 -31.873 1.469 1.00 54.05 H new ATOM 0 HB2 LYS A 32 -7.206 -32.921 4.128 1.00 1.34 H new ATOM 0 HB3 LYS A 32 -8.225 -32.579 2.744 1.00 1.34 H new ATOM 0 HG2 LYS A 32 -6.746 -34.225 1.430 1.00 54.52 H new ATOM 0 HG3 LYS A 32 -6.066 -34.694 2.975 1.00 54.52 H new ATOM 0 HD2 LYS A 32 -8.323 -35.293 3.806 1.00 11.33 H new ATOM 0 HD3 LYS A 32 -9.032 -34.779 2.288 1.00 11.33 H new ATOM 0 HE2 LYS A 32 -8.155 -36.591 1.095 1.00 13.20 H new ATOM 0 HE3 LYS A 32 -6.824 -36.824 2.212 1.00 13.20 H new ATOM 0 HZ1 LYS A 32 -8.470 -38.568 2.435 1.00 43.12 H new ATOM 0 HZ2 LYS A 32 -8.394 -37.657 3.866 1.00 43.12 H new ATOM 0 HZ3 LYS A 32 -9.683 -37.432 2.784 1.00 43.12 H new ATOM 507 N GLU A 33 -6.639 -30.183 4.278 1.00 74.52 N ATOM 508 CA GLU A 33 -7.052 -28.889 4.806 1.00 15.33 C ATOM 509 C GLU A 33 -6.257 -27.758 4.160 1.00 24.31 C ATOM 510 O GLU A 33 -6.807 -26.708 3.829 1.00 43.22 O ATOM 511 CB GLU A 33 -6.871 -28.851 6.325 1.00 30.42 C ATOM 512 CG GLU A 33 -8.051 -29.422 7.093 1.00 13.13 C ATOM 513 CD GLU A 33 -8.196 -30.921 6.913 1.00 44.52 C ATOM 514 OE1 GLU A 33 -8.600 -31.348 5.811 1.00 24.52 O ATOM 515 OE2 GLU A 33 -7.905 -31.665 7.872 1.00 10.01 O ATOM 0 H GLU A 33 -6.327 -30.848 4.986 1.00 74.52 H new ATOM 0 HA GLU A 33 -8.107 -28.750 4.569 1.00 15.33 H new ATOM 0 HB2 GLU A 33 -5.972 -29.408 6.589 1.00 30.42 H new ATOM 0 HB3 GLU A 33 -6.710 -27.819 6.638 1.00 30.42 H new ATOM 0 HG2 GLU A 33 -7.933 -29.197 8.153 1.00 13.13 H new ATOM 0 HG3 GLU A 33 -8.966 -28.930 6.763 1.00 13.13 H new ATOM 522 N TYR A 34 -4.959 -27.982 3.985 1.00 50.32 N ATOM 523 CA TYR A 34 -4.086 -26.982 3.381 1.00 10.14 C ATOM 524 C TYR A 34 -4.517 -26.674 1.951 1.00 71.54 C ATOM 525 O TYR A 34 -4.379 -25.547 1.477 1.00 41.33 O ATOM 526 CB TYR A 34 -2.635 -27.466 3.396 1.00 50.21 C ATOM 527 CG TYR A 34 -1.867 -27.040 4.627 1.00 70.03 C ATOM 528 CD1 TYR A 34 -1.805 -25.704 5.004 1.00 74.30 C ATOM 529 CD2 TYR A 34 -1.204 -27.974 5.413 1.00 23.11 C ATOM 530 CE1 TYR A 34 -1.104 -25.311 6.127 1.00 11.12 C ATOM 531 CE2 TYR A 34 -0.501 -27.590 6.539 1.00 12.10 C ATOM 532 CZ TYR A 34 -0.454 -26.257 6.892 1.00 70.34 C ATOM 533 OH TYR A 34 0.244 -25.870 8.012 1.00 4.41 O ATOM 0 H TYR A 34 -4.489 -28.847 4.253 1.00 50.32 H new ATOM 0 HA TYR A 34 -4.163 -26.067 3.968 1.00 10.14 H new ATOM 0 HB2 TYR A 34 -2.623 -28.554 3.329 1.00 50.21 H new ATOM 0 HB3 TYR A 34 -2.125 -27.086 2.511 1.00 50.21 H new ATOM 0 HD1 TYR A 34 -2.314 -24.960 4.409 1.00 74.30 H new ATOM 0 HD2 TYR A 34 -1.239 -29.018 5.139 1.00 23.11 H new ATOM 0 HE1 TYR A 34 -1.065 -24.268 6.405 1.00 11.12 H new ATOM 0 HE2 TYR A 34 0.009 -28.329 7.139 1.00 12.10 H new ATOM 0 HH TYR A 34 0.642 -26.658 8.438 1.00 4.41 H new ATOM 543 N VAL A 35 -5.041 -27.687 1.267 1.00 52.11 N ATOM 544 CA VAL A 35 -5.495 -27.526 -0.109 1.00 61.54 C ATOM 545 C VAL A 35 -6.755 -26.671 -0.176 1.00 73.33 C ATOM 546 O VAL A 35 -6.875 -25.787 -1.025 1.00 64.15 O ATOM 547 CB VAL A 35 -5.777 -28.889 -0.770 1.00 24.00 C ATOM 548 CG1 VAL A 35 -6.583 -28.707 -2.047 1.00 31.13 C ATOM 549 CG2 VAL A 35 -4.474 -29.623 -1.052 1.00 74.21 C ATOM 0 H VAL A 35 -5.161 -28.627 1.644 1.00 52.11 H new ATOM 0 HA VAL A 35 -4.692 -27.027 -0.651 1.00 61.54 H new ATOM 0 HB VAL A 35 -6.366 -29.493 -0.080 1.00 24.00 H new ATOM 0 HG11 VAL A 35 -6.772 -29.680 -2.500 1.00 31.13 H new ATOM 0 HG12 VAL A 35 -7.532 -28.225 -1.813 1.00 31.13 H new ATOM 0 HG13 VAL A 35 -6.023 -28.085 -2.745 1.00 31.13 H new ATOM 0 HG21 VAL A 35 -4.691 -30.584 -1.519 1.00 74.21 H new ATOM 0 HG22 VAL A 35 -3.857 -29.025 -1.723 1.00 74.21 H new ATOM 0 HG23 VAL A 35 -3.939 -29.787 -0.117 1.00 74.21 H new ATOM 559 N LEU A 36 -7.694 -26.940 0.724 1.00 10.24 N ATOM 560 CA LEU A 36 -8.947 -26.194 0.769 1.00 72.31 C ATOM 561 C LEU A 36 -8.725 -24.787 1.314 1.00 63.20 C ATOM 562 O LEU A 36 -9.435 -23.849 0.949 1.00 4.12 O ATOM 563 CB LEU A 36 -9.972 -26.932 1.632 1.00 1.15 C ATOM 564 CG LEU A 36 -10.707 -28.091 0.959 1.00 72.12 C ATOM 565 CD1 LEU A 36 -9.746 -29.232 0.661 1.00 14.30 C ATOM 566 CD2 LEU A 36 -11.856 -28.573 1.832 1.00 32.43 C ATOM 0 H LEU A 36 -7.612 -27.669 1.433 1.00 10.24 H new ATOM 0 HA LEU A 36 -9.329 -26.113 -0.249 1.00 72.31 H new ATOM 0 HB2 LEU A 36 -9.463 -27.316 2.516 1.00 1.15 H new ATOM 0 HB3 LEU A 36 -10.712 -26.211 1.978 1.00 1.15 H new ATOM 0 HG LEU A 36 -11.119 -27.735 0.015 1.00 72.12 H new ATOM 0 HD11 LEU A 36 -10.287 -30.048 0.182 1.00 14.30 H new ATOM 0 HD12 LEU A 36 -8.958 -28.880 -0.004 1.00 14.30 H new ATOM 0 HD13 LEU A 36 -9.303 -29.587 1.592 1.00 14.30 H new ATOM 0 HD21 LEU A 36 -12.368 -29.398 1.337 1.00 32.43 H new ATOM 0 HD22 LEU A 36 -11.466 -28.911 2.792 1.00 32.43 H new ATOM 0 HD23 LEU A 36 -12.558 -27.755 1.993 1.00 32.43 H new ATOM 578 N LEU A 37 -7.734 -24.647 2.188 1.00 42.34 N ATOM 579 CA LEU A 37 -7.415 -23.353 2.782 1.00 54.02 C ATOM 580 C LEU A 37 -6.608 -22.494 1.815 1.00 44.43 C ATOM 581 O LEU A 37 -6.981 -21.359 1.517 1.00 30.45 O ATOM 582 CB LEU A 37 -6.636 -23.546 4.084 1.00 40.32 C ATOM 583 CG LEU A 37 -7.456 -23.483 5.373 1.00 53.43 C ATOM 584 CD1 LEU A 37 -7.935 -22.063 5.632 1.00 53.44 C ATOM 585 CD2 LEU A 37 -8.636 -24.441 5.301 1.00 13.24 C ATOM 0 H LEU A 37 -7.138 -25.413 2.501 1.00 42.34 H new ATOM 0 HA LEU A 37 -8.352 -22.840 2.999 1.00 54.02 H new ATOM 0 HB2 LEU A 37 -6.134 -24.513 4.044 1.00 40.32 H new ATOM 0 HB3 LEU A 37 -5.858 -22.784 4.135 1.00 40.32 H new ATOM 0 HG LEU A 37 -6.817 -23.786 6.203 1.00 53.43 H new ATOM 0 HD11 LEU A 37 -8.517 -22.038 6.553 1.00 53.44 H new ATOM 0 HD12 LEU A 37 -7.075 -21.401 5.728 1.00 53.44 H new ATOM 0 HD13 LEU A 37 -8.557 -21.732 4.801 1.00 53.44 H new ATOM 0 HD21 LEU A 37 -9.209 -24.383 6.227 1.00 13.24 H new ATOM 0 HD22 LEU A 37 -9.275 -24.168 4.461 1.00 13.24 H new ATOM 0 HD23 LEU A 37 -8.271 -25.459 5.163 1.00 13.24 H new ATOM 597 N GLU A 38 -5.500 -23.043 1.326 1.00 72.22 N ATOM 598 CA GLU A 38 -4.641 -22.326 0.391 1.00 61.41 C ATOM 599 C GLU A 38 -5.449 -21.785 -0.785 1.00 42.10 C ATOM 600 O GLU A 38 -5.156 -20.711 -1.312 1.00 63.15 O ATOM 601 CB GLU A 38 -3.528 -23.244 -0.120 1.00 73.11 C ATOM 602 CG GLU A 38 -4.008 -24.286 -1.117 1.00 11.41 C ATOM 603 CD GLU A 38 -2.907 -25.238 -1.541 1.00 41.23 C ATOM 604 OE1 GLU A 38 -1.963 -25.443 -0.749 1.00 51.04 O ATOM 605 OE2 GLU A 38 -2.988 -25.777 -2.664 1.00 75.34 O ATOM 0 H GLU A 38 -5.177 -23.981 1.562 1.00 72.22 H new ATOM 0 HA GLU A 38 -4.194 -21.484 0.920 1.00 61.41 H new ATOM 0 HB2 GLU A 38 -2.753 -22.636 -0.587 1.00 73.11 H new ATOM 0 HB3 GLU A 38 -3.068 -23.750 0.729 1.00 73.11 H new ATOM 0 HG2 GLU A 38 -4.826 -24.856 -0.676 1.00 11.41 H new ATOM 0 HG3 GLU A 38 -4.408 -23.784 -1.998 1.00 11.41 H new ATOM 612 N LEU A 39 -6.467 -22.536 -1.191 1.00 44.33 N ATOM 613 CA LEU A 39 -7.318 -22.133 -2.305 1.00 42.44 C ATOM 614 C LEU A 39 -8.337 -21.088 -1.862 1.00 2.21 C ATOM 615 O LEU A 39 -8.595 -20.115 -2.573 1.00 24.51 O ATOM 616 CB LEU A 39 -8.039 -23.349 -2.888 1.00 63.33 C ATOM 617 CG LEU A 39 -7.260 -24.156 -3.928 1.00 55.04 C ATOM 618 CD1 LEU A 39 -8.029 -25.410 -4.315 1.00 62.05 C ATOM 619 CD2 LEU A 39 -6.972 -23.305 -5.156 1.00 44.14 C ATOM 0 H LEU A 39 -6.723 -23.427 -0.766 1.00 44.33 H new ATOM 0 HA LEU A 39 -6.683 -21.692 -3.073 1.00 42.44 H new ATOM 0 HB2 LEU A 39 -8.308 -24.015 -2.068 1.00 63.33 H new ATOM 0 HB3 LEU A 39 -8.970 -23.011 -3.343 1.00 63.33 H new ATOM 0 HG LEU A 39 -6.309 -24.458 -3.489 1.00 55.04 H new ATOM 0 HD11 LEU A 39 -7.460 -25.972 -5.056 1.00 62.05 H new ATOM 0 HD12 LEU A 39 -8.185 -26.029 -3.431 1.00 62.05 H new ATOM 0 HD13 LEU A 39 -8.995 -25.129 -4.736 1.00 62.05 H new ATOM 0 HD21 LEU A 39 -6.417 -23.895 -5.886 1.00 44.14 H new ATOM 0 HD22 LEU A 39 -7.912 -22.973 -5.597 1.00 44.14 H new ATOM 0 HD23 LEU A 39 -6.380 -22.437 -4.866 1.00 44.14 H new ATOM 631 N LEU A 40 -8.912 -21.293 -0.682 1.00 62.32 N ATOM 632 CA LEU A 40 -9.902 -20.368 -0.142 1.00 5.31 C ATOM 633 C LEU A 40 -9.302 -18.977 0.044 1.00 33.54 C ATOM 634 O LEU A 40 -9.881 -17.978 -0.383 1.00 51.21 O ATOM 635 CB LEU A 40 -10.439 -20.887 1.193 1.00 40.11 C ATOM 636 CG LEU A 40 -11.830 -21.520 1.156 1.00 54.04 C ATOM 637 CD1 LEU A 40 -12.240 -21.990 2.543 1.00 55.43 C ATOM 638 CD2 LEU A 40 -12.850 -20.535 0.601 1.00 65.52 C ATOM 0 H LEU A 40 -8.710 -22.092 -0.081 1.00 62.32 H new ATOM 0 HA LEU A 40 -10.724 -20.297 -0.854 1.00 5.31 H new ATOM 0 HB2 LEU A 40 -9.737 -21.624 1.583 1.00 40.11 H new ATOM 0 HB3 LEU A 40 -10.457 -20.059 1.901 1.00 40.11 H new ATOM 0 HG LEU A 40 -11.796 -22.387 0.497 1.00 54.04 H new ATOM 0 HD11 LEU A 40 -13.233 -22.438 2.497 1.00 55.43 H new ATOM 0 HD12 LEU A 40 -11.525 -22.730 2.903 1.00 55.43 H new ATOM 0 HD13 LEU A 40 -12.257 -21.140 3.225 1.00 55.43 H new ATOM 0 HD21 LEU A 40 -13.834 -21.003 0.582 1.00 65.52 H new ATOM 0 HD22 LEU A 40 -12.882 -19.648 1.234 1.00 65.52 H new ATOM 0 HD23 LEU A 40 -12.565 -20.248 -0.411 1.00 65.52 H new ATOM 650 N LEU A 41 -8.139 -18.921 0.683 1.00 62.30 N ATOM 651 CA LEU A 41 -7.459 -17.653 0.924 1.00 22.31 C ATOM 652 C LEU A 41 -6.958 -17.047 -0.383 1.00 13.31 C ATOM 653 O LEU A 41 -7.117 -15.850 -0.623 1.00 72.31 O ATOM 654 CB LEU A 41 -6.288 -17.855 1.887 1.00 23.23 C ATOM 655 CG LEU A 41 -5.249 -18.897 1.472 1.00 64.14 C ATOM 656 CD1 LEU A 41 -4.080 -18.232 0.762 1.00 41.34 C ATOM 657 CD2 LEU A 41 -4.763 -19.679 2.683 1.00 35.44 C ATOM 0 H LEU A 41 -7.647 -19.739 1.044 1.00 62.30 H new ATOM 0 HA LEU A 41 -8.175 -16.964 1.372 1.00 22.31 H new ATOM 0 HB2 LEU A 41 -5.782 -16.899 2.017 1.00 23.23 H new ATOM 0 HB3 LEU A 41 -6.689 -18.139 2.860 1.00 23.23 H new ATOM 0 HG LEU A 41 -5.720 -19.594 0.779 1.00 64.14 H new ATOM 0 HD11 LEU A 41 -3.351 -18.989 0.474 1.00 41.34 H new ATOM 0 HD12 LEU A 41 -4.440 -17.718 -0.129 1.00 41.34 H new ATOM 0 HD13 LEU A 41 -3.610 -17.512 1.431 1.00 41.34 H new ATOM 0 HD21 LEU A 41 -4.024 -20.416 2.368 1.00 35.44 H new ATOM 0 HD22 LEU A 41 -4.310 -18.995 3.400 1.00 35.44 H new ATOM 0 HD23 LEU A 41 -5.606 -20.188 3.150 1.00 35.44 H new ATOM 669 N GLN A 42 -6.355 -17.881 -1.224 1.00 15.11 N ATOM 670 CA GLN A 42 -5.834 -17.426 -2.507 1.00 65.32 C ATOM 671 C GLN A 42 -6.917 -16.720 -3.316 1.00 64.21 C ATOM 672 O GLN A 42 -6.661 -15.701 -3.957 1.00 42.23 O ATOM 673 CB GLN A 42 -5.275 -18.608 -3.302 1.00 54.02 C ATOM 674 CG GLN A 42 -4.744 -18.222 -4.673 1.00 75.34 C ATOM 675 CD GLN A 42 -4.362 -19.427 -5.511 1.00 2.50 C ATOM 676 OE1 GLN A 42 -5.285 -20.371 -5.646 1.00 64.10 O flip ATOM 677 NE2 GLN A 42 -3.249 -19.507 -6.031 1.00 60.50 N flip ATOM 0 H GLN A 42 -6.215 -18.874 -1.040 1.00 15.11 H new ATOM 0 HA GLN A 42 -5.031 -16.715 -2.313 1.00 65.32 H new ATOM 0 HB2 GLN A 42 -4.473 -19.074 -2.729 1.00 54.02 H new ATOM 0 HB3 GLN A 42 -6.058 -19.357 -3.422 1.00 54.02 H new ATOM 0 HG2 GLN A 42 -5.500 -17.642 -5.201 1.00 75.34 H new ATOM 0 HG3 GLN A 42 -3.874 -17.577 -4.553 1.00 75.34 H new ATOM 0 HE21 GLN A 42 -2.570 -18.757 -5.901 1.00 60.50 H new ATOM 0 HE22 GLN A 42 -3.006 -20.323 -6.592 1.00 60.50 H new ATOM 686 N ARG A 43 -8.126 -17.269 -3.282 1.00 35.14 N ATOM 687 CA ARG A 43 -9.248 -16.692 -4.013 1.00 31.50 C ATOM 688 C ARG A 43 -10.187 -15.947 -3.069 1.00 42.41 C ATOM 689 O ARG A 43 -11.360 -15.735 -3.380 1.00 64.41 O ATOM 690 CB ARG A 43 -10.017 -17.787 -4.755 1.00 15.11 C ATOM 691 CG ARG A 43 -9.471 -18.082 -6.142 1.00 61.02 C ATOM 692 CD ARG A 43 -7.988 -18.414 -6.097 1.00 63.45 C ATOM 693 NE ARG A 43 -7.450 -18.699 -7.425 1.00 53.13 N ATOM 694 CZ ARG A 43 -7.209 -17.763 -8.336 1.00 42.14 C ATOM 695 NH1 ARG A 43 -7.455 -16.489 -8.064 1.00 52.12 N ATOM 696 NH2 ARG A 43 -6.719 -18.100 -9.523 1.00 32.55 N ATOM 0 H ARG A 43 -8.354 -18.113 -2.756 1.00 35.14 H new ATOM 0 HA ARG A 43 -8.850 -15.981 -4.737 1.00 31.50 H new ATOM 0 HB2 ARG A 43 -9.993 -18.701 -4.162 1.00 15.11 H new ATOM 0 HB3 ARG A 43 -11.062 -17.490 -4.841 1.00 15.11 H new ATOM 0 HG2 ARG A 43 -10.019 -18.916 -6.580 1.00 61.02 H new ATOM 0 HG3 ARG A 43 -9.633 -17.220 -6.789 1.00 61.02 H new ATOM 0 HD2 ARG A 43 -7.443 -17.579 -5.657 1.00 63.45 H new ATOM 0 HD3 ARG A 43 -7.829 -19.276 -5.449 1.00 63.45 H new ATOM 0 HE ARG A 43 -7.249 -19.670 -7.666 1.00 53.13 H new ATOM 0 HH11 ARG A 43 -7.830 -16.225 -7.153 1.00 52.12 H new ATOM 0 HH12 ARG A 43 -7.269 -15.773 -8.766 1.00 52.12 H new ATOM 0 HH21 ARG A 43 -6.527 -19.079 -9.736 1.00 32.55 H new ATOM 0 HH22 ARG A 43 -6.534 -17.380 -10.222 1.00 32.55 H new ATOM 710 N THR A 44 -9.663 -15.550 -1.913 1.00 52.12 N ATOM 711 CA THR A 44 -10.454 -14.830 -0.923 1.00 43.52 C ATOM 712 C THR A 44 -11.172 -13.641 -1.552 1.00 72.31 C ATOM 713 O THR A 44 -10.602 -12.920 -2.369 1.00 44.11 O ATOM 714 CB THR A 44 -9.576 -14.328 0.239 1.00 14.13 C ATOM 715 OG1 THR A 44 -10.401 -13.793 1.280 1.00 15.03 O ATOM 716 CG2 THR A 44 -8.601 -13.263 -0.239 1.00 70.13 C ATOM 0 H THR A 44 -8.694 -15.715 -1.640 1.00 52.12 H new ATOM 0 HA THR A 44 -11.191 -15.533 -0.535 1.00 43.52 H new ATOM 0 HB THR A 44 -9.006 -15.173 0.625 1.00 14.13 H new ATOM 0 HG1 THR A 44 -9.836 -13.478 2.016 1.00 15.03 H new ATOM 0 HG21 THR A 44 -7.992 -12.924 0.599 1.00 70.13 H new ATOM 0 HG22 THR A 44 -7.955 -13.681 -1.011 1.00 70.13 H new ATOM 0 HG23 THR A 44 -9.156 -12.419 -0.649 1.00 70.13 H new ATOM 724 N GLY A 45 -12.429 -13.443 -1.165 1.00 43.41 N ATOM 725 CA GLY A 45 -13.204 -12.339 -1.701 1.00 74.41 C ATOM 726 C GLY A 45 -14.170 -12.781 -2.782 1.00 74.44 C ATOM 727 O GLY A 45 -15.122 -12.069 -3.102 1.00 23.33 O ATOM 0 H GLY A 45 -12.924 -14.027 -0.491 1.00 43.41 H new ATOM 0 HA2 GLY A 45 -13.760 -11.863 -0.893 1.00 74.41 H new ATOM 0 HA3 GLY A 45 -12.527 -11.588 -2.108 1.00 74.41 H new ATOM 731 N GLU A 46 -13.925 -13.959 -3.348 1.00 62.11 N ATOM 732 CA GLU A 46 -14.780 -14.493 -4.402 1.00 1.22 C ATOM 733 C GLU A 46 -15.095 -15.965 -4.154 1.00 24.25 C ATOM 734 O GLU A 46 -14.269 -16.707 -3.621 1.00 42.03 O ATOM 735 CB GLU A 46 -14.109 -14.326 -5.767 1.00 21.52 C ATOM 736 CG GLU A 46 -12.656 -14.772 -5.789 1.00 74.05 C ATOM 737 CD GLU A 46 -12.047 -14.705 -7.176 1.00 73.35 C ATOM 738 OE1 GLU A 46 -12.721 -15.126 -8.140 1.00 61.14 O ATOM 739 OE2 GLU A 46 -10.898 -14.233 -7.298 1.00 62.02 O ATOM 0 H GLU A 46 -13.142 -14.561 -3.094 1.00 62.11 H new ATOM 0 HA GLU A 46 -15.715 -13.933 -4.394 1.00 1.22 H new ATOM 0 HB2 GLU A 46 -14.667 -14.897 -6.509 1.00 21.52 H new ATOM 0 HB3 GLU A 46 -14.163 -13.279 -6.064 1.00 21.52 H new ATOM 0 HG2 GLU A 46 -12.077 -14.145 -5.111 1.00 74.05 H new ATOM 0 HG3 GLU A 46 -12.588 -15.794 -5.415 1.00 74.05 H new ATOM 746 N VAL A 47 -16.296 -16.381 -4.543 1.00 24.34 N ATOM 747 CA VAL A 47 -16.721 -17.764 -4.363 1.00 64.44 C ATOM 748 C VAL A 47 -16.140 -18.663 -5.450 1.00 0.14 C ATOM 749 O VAL A 47 -16.258 -18.371 -6.641 1.00 23.45 O ATOM 750 CB VAL A 47 -18.256 -17.886 -4.378 1.00 60.22 C ATOM 751 CG1 VAL A 47 -18.684 -19.293 -3.989 1.00 0.14 C ATOM 752 CG2 VAL A 47 -18.881 -16.854 -3.452 1.00 22.24 C ATOM 0 H VAL A 47 -16.992 -15.780 -4.985 1.00 24.34 H new ATOM 0 HA VAL A 47 -16.348 -18.086 -3.391 1.00 64.44 H new ATOM 0 HB VAL A 47 -18.609 -17.692 -5.391 1.00 60.22 H new ATOM 0 HG11 VAL A 47 -19.772 -19.360 -4.005 1.00 0.14 H new ATOM 0 HG12 VAL A 47 -18.266 -20.009 -4.696 1.00 0.14 H new ATOM 0 HG13 VAL A 47 -18.321 -19.519 -2.986 1.00 0.14 H new ATOM 0 HG21 VAL A 47 -19.966 -16.954 -3.475 1.00 22.24 H new ATOM 0 HG22 VAL A 47 -18.523 -17.014 -2.435 1.00 22.24 H new ATOM 0 HG23 VAL A 47 -18.602 -15.853 -3.782 1.00 22.24 H new ATOM 762 N LEU A 48 -15.513 -19.757 -5.032 1.00 31.02 N ATOM 763 CA LEU A 48 -14.914 -20.700 -5.969 1.00 64.43 C ATOM 764 C LEU A 48 -15.655 -22.033 -5.950 1.00 21.24 C ATOM 765 O LEU A 48 -16.367 -22.362 -5.000 1.00 44.32 O ATOM 766 CB LEU A 48 -13.438 -20.919 -5.630 1.00 32.33 C ATOM 767 CG LEU A 48 -13.069 -20.826 -4.149 1.00 13.43 C ATOM 768 CD1 LEU A 48 -11.879 -21.719 -3.838 1.00 22.24 C ATOM 769 CD2 LEU A 48 -12.772 -19.384 -3.763 1.00 45.15 C ATOM 0 H LEU A 48 -15.406 -20.013 -4.050 1.00 31.02 H new ATOM 0 HA LEU A 48 -14.992 -20.277 -6.971 1.00 64.43 H new ATOM 0 HB2 LEU A 48 -13.144 -21.903 -5.996 1.00 32.33 H new ATOM 0 HB3 LEU A 48 -12.847 -20.185 -6.178 1.00 32.33 H new ATOM 0 HG LEU A 48 -13.919 -21.171 -3.560 1.00 13.43 H new ATOM 0 HD11 LEU A 48 -11.631 -21.639 -2.780 1.00 22.24 H new ATOM 0 HD12 LEU A 48 -12.128 -22.753 -4.076 1.00 22.24 H new ATOM 0 HD13 LEU A 48 -11.023 -21.406 -4.436 1.00 22.24 H new ATOM 0 HD21 LEU A 48 -12.511 -19.337 -2.706 1.00 45.15 H new ATOM 0 HD22 LEU A 48 -11.939 -19.012 -4.359 1.00 45.15 H new ATOM 0 HD23 LEU A 48 -13.653 -18.769 -3.947 1.00 45.15 H new ATOM 781 N PRO A 49 -15.484 -22.822 -7.021 1.00 51.42 N ATOM 782 CA PRO A 49 -16.127 -24.133 -7.150 1.00 4.12 C ATOM 783 C PRO A 49 -15.549 -25.159 -6.181 1.00 12.13 C ATOM 784 O PRO A 49 -14.534 -24.910 -5.530 1.00 53.40 O ATOM 785 CB PRO A 49 -15.826 -24.535 -8.596 1.00 11.11 C ATOM 786 CG PRO A 49 -14.583 -23.792 -8.945 1.00 24.42 C ATOM 787 CD PRO A 49 -14.650 -22.494 -8.190 1.00 0.14 C ATOM 0 HA PRO A 49 -17.191 -24.090 -6.918 1.00 4.12 H new ATOM 0 HB2 PRO A 49 -15.682 -25.612 -8.686 1.00 11.11 H new ATOM 0 HB3 PRO A 49 -16.647 -24.267 -9.261 1.00 11.11 H new ATOM 0 HG2 PRO A 49 -13.697 -24.361 -8.665 1.00 24.42 H new ATOM 0 HG3 PRO A 49 -14.522 -23.616 -10.019 1.00 24.42 H new ATOM 0 HD2 PRO A 49 -13.659 -22.150 -7.893 1.00 0.14 H new ATOM 0 HD3 PRO A 49 -15.095 -21.702 -8.792 1.00 0.14 H new ATOM 795 N ARG A 50 -16.202 -26.313 -6.090 1.00 62.10 N ATOM 796 CA ARG A 50 -15.753 -27.377 -5.199 1.00 40.45 C ATOM 797 C ARG A 50 -14.980 -28.442 -5.971 1.00 75.34 C ATOM 798 O ARG A 50 -14.050 -29.052 -5.445 1.00 20.32 O ATOM 799 CB ARG A 50 -16.948 -28.013 -4.488 1.00 31.14 C ATOM 800 CG ARG A 50 -16.563 -29.127 -3.528 1.00 61.54 C ATOM 801 CD ARG A 50 -17.596 -30.243 -3.527 1.00 33.03 C ATOM 802 NE ARG A 50 -18.352 -30.287 -2.278 1.00 20.23 N ATOM 803 CZ ARG A 50 -19.398 -29.509 -2.024 1.00 33.11 C ATOM 804 NH1 ARG A 50 -19.811 -28.632 -2.928 1.00 40.32 N ATOM 805 NH2 ARG A 50 -20.034 -29.608 -0.864 1.00 34.33 N ATOM 0 H ARG A 50 -17.043 -26.535 -6.622 1.00 62.10 H new ATOM 0 HA ARG A 50 -15.088 -26.938 -4.455 1.00 40.45 H new ATOM 0 HB2 ARG A 50 -17.486 -27.241 -3.938 1.00 31.14 H new ATOM 0 HB3 ARG A 50 -17.635 -28.410 -5.235 1.00 31.14 H new ATOM 0 HG2 ARG A 50 -15.590 -29.531 -3.809 1.00 61.54 H new ATOM 0 HG3 ARG A 50 -16.462 -28.722 -2.521 1.00 61.54 H new ATOM 0 HD2 ARG A 50 -18.283 -30.102 -4.362 1.00 33.03 H new ATOM 0 HD3 ARG A 50 -17.097 -31.199 -3.683 1.00 33.03 H new ATOM 0 HE ARG A 50 -18.061 -30.952 -1.561 1.00 20.23 H new ATOM 0 HH11 ARG A 50 -19.325 -28.553 -3.821 1.00 40.32 H new ATOM 0 HH12 ARG A 50 -20.615 -28.036 -2.730 1.00 40.32 H new ATOM 0 HH21 ARG A 50 -19.720 -30.282 -0.166 1.00 34.33 H new ATOM 0 HH22 ARG A 50 -20.837 -29.010 -0.670 1.00 34.33 H new ATOM 819 N SER A 51 -15.373 -28.661 -7.222 1.00 74.22 N ATOM 820 CA SER A 51 -14.721 -29.656 -8.065 1.00 71.14 C ATOM 821 C SER A 51 -13.242 -29.329 -8.247 1.00 0.15 C ATOM 822 O SER A 51 -12.382 -30.203 -8.129 1.00 42.31 O ATOM 823 CB SER A 51 -15.410 -29.730 -9.430 1.00 4.34 C ATOM 824 OG SER A 51 -16.670 -30.370 -9.331 1.00 10.31 O ATOM 0 H SER A 51 -16.140 -28.163 -7.674 1.00 74.22 H new ATOM 0 HA SER A 51 -14.803 -30.624 -7.571 1.00 71.14 H new ATOM 0 HB2 SER A 51 -15.540 -28.725 -9.830 1.00 4.34 H new ATOM 0 HB3 SER A 51 -14.777 -30.273 -10.132 1.00 4.34 H new ATOM 0 HG SER A 51 -16.674 -31.173 -9.893 1.00 10.31 H new ATOM 830 N LEU A 52 -12.953 -28.064 -8.533 1.00 72.43 N ATOM 831 CA LEU A 52 -11.578 -27.619 -8.731 1.00 70.51 C ATOM 832 C LEU A 52 -10.709 -27.989 -7.534 1.00 25.14 C ATOM 833 O LEU A 52 -9.651 -28.600 -7.688 1.00 24.25 O ATOM 834 CB LEU A 52 -11.538 -26.107 -8.957 1.00 70.24 C ATOM 835 CG LEU A 52 -10.163 -25.447 -8.843 1.00 34.53 C ATOM 836 CD1 LEU A 52 -9.182 -26.087 -9.813 1.00 1.52 C ATOM 837 CD2 LEU A 52 -10.267 -23.950 -9.095 1.00 75.42 C ATOM 0 H LEU A 52 -13.653 -27.328 -8.633 1.00 72.43 H new ATOM 0 HA LEU A 52 -11.182 -28.122 -9.613 1.00 70.51 H new ATOM 0 HB2 LEU A 52 -11.938 -25.897 -9.949 1.00 70.24 H new ATOM 0 HB3 LEU A 52 -12.206 -25.634 -8.237 1.00 70.24 H new ATOM 0 HG LEU A 52 -9.791 -25.599 -7.830 1.00 34.53 H new ATOM 0 HD11 LEU A 52 -8.209 -25.605 -9.718 1.00 1.52 H new ATOM 0 HD12 LEU A 52 -9.085 -27.148 -9.585 1.00 1.52 H new ATOM 0 HD13 LEU A 52 -9.548 -25.967 -10.833 1.00 1.52 H new ATOM 0 HD21 LEU A 52 -9.279 -23.497 -9.010 1.00 75.42 H new ATOM 0 HD22 LEU A 52 -10.661 -23.776 -10.096 1.00 75.42 H new ATOM 0 HD23 LEU A 52 -10.936 -23.503 -8.360 1.00 75.42 H new ATOM 849 N ILE A 53 -11.163 -27.617 -6.342 1.00 3.51 N ATOM 850 CA ILE A 53 -10.428 -27.912 -5.118 1.00 63.03 C ATOM 851 C ILE A 53 -10.147 -29.406 -4.993 1.00 11.43 C ATOM 852 O ILE A 53 -9.020 -29.815 -4.715 1.00 43.42 O ATOM 853 CB ILE A 53 -11.198 -27.439 -3.871 1.00 64.20 C ATOM 854 CG1 ILE A 53 -11.493 -25.941 -3.965 1.00 54.11 C ATOM 855 CG2 ILE A 53 -10.405 -27.750 -2.610 1.00 51.01 C ATOM 856 CD1 ILE A 53 -12.580 -25.479 -3.019 1.00 45.10 C ATOM 0 H ILE A 53 -12.037 -27.111 -6.198 1.00 3.51 H new ATOM 0 HA ILE A 53 -9.484 -27.371 -5.178 1.00 63.03 H new ATOM 0 HB ILE A 53 -12.146 -27.974 -3.822 1.00 64.20 H new ATOM 0 HG12 ILE A 53 -10.579 -25.385 -3.755 1.00 54.11 H new ATOM 0 HG13 ILE A 53 -11.785 -25.700 -4.987 1.00 54.11 H new ATOM 0 HG21 ILE A 53 -10.962 -27.410 -1.737 1.00 51.01 H new ATOM 0 HG22 ILE A 53 -10.241 -28.825 -2.539 1.00 51.01 H new ATOM 0 HG23 ILE A 53 -9.444 -27.238 -2.649 1.00 51.01 H new ATOM 0 HD11 ILE A 53 -12.736 -24.407 -3.140 1.00 45.10 H new ATOM 0 HD12 ILE A 53 -13.506 -26.008 -3.243 1.00 45.10 H new ATOM 0 HD13 ILE A 53 -12.282 -25.689 -1.992 1.00 45.10 H new ATOM 868 N SER A 54 -11.180 -30.216 -5.201 1.00 10.23 N ATOM 869 CA SER A 54 -11.045 -31.665 -5.109 1.00 15.10 C ATOM 870 C SER A 54 -9.923 -32.165 -6.014 1.00 11.35 C ATOM 871 O SER A 54 -9.270 -33.165 -5.716 1.00 3.50 O ATOM 872 CB SER A 54 -12.362 -32.346 -5.488 1.00 13.44 C ATOM 873 OG SER A 54 -12.340 -33.722 -5.152 1.00 63.20 O ATOM 0 H SER A 54 -12.119 -29.894 -5.434 1.00 10.23 H new ATOM 0 HA SER A 54 -10.797 -31.917 -4.078 1.00 15.10 H new ATOM 0 HB2 SER A 54 -13.189 -31.856 -4.974 1.00 13.44 H new ATOM 0 HB3 SER A 54 -12.539 -32.232 -6.558 1.00 13.44 H new ATOM 0 HG SER A 54 -12.029 -34.242 -5.922 1.00 63.20 H new ATOM 879 N SER A 55 -9.706 -31.461 -7.120 1.00 4.21 N ATOM 880 CA SER A 55 -8.665 -31.834 -8.071 1.00 52.01 C ATOM 881 C SER A 55 -7.280 -31.547 -7.501 1.00 5.21 C ATOM 882 O SER A 55 -6.306 -32.224 -7.833 1.00 62.03 O ATOM 883 CB SER A 55 -8.854 -31.079 -9.388 1.00 41.40 C ATOM 884 OG SER A 55 -8.149 -31.709 -10.443 1.00 63.01 O ATOM 0 H SER A 55 -10.237 -30.630 -7.380 1.00 4.21 H new ATOM 0 HA SER A 55 -8.746 -32.905 -8.259 1.00 52.01 H new ATOM 0 HB2 SER A 55 -9.915 -31.030 -9.634 1.00 41.40 H new ATOM 0 HB3 SER A 55 -8.505 -30.052 -9.276 1.00 41.40 H new ATOM 0 HG SER A 55 -8.154 -31.128 -11.232 1.00 63.01 H new ATOM 890 N LEU A 56 -7.198 -30.538 -6.641 1.00 14.15 N ATOM 891 CA LEU A 56 -5.932 -30.159 -6.023 1.00 33.34 C ATOM 892 C LEU A 56 -5.535 -31.158 -4.940 1.00 45.32 C ATOM 893 O LEU A 56 -4.428 -31.100 -4.404 1.00 1.22 O ATOM 894 CB LEU A 56 -6.034 -28.755 -5.425 1.00 1.04 C ATOM 895 CG LEU A 56 -5.329 -27.642 -6.201 1.00 71.21 C ATOM 896 CD1 LEU A 56 -3.824 -27.720 -5.998 1.00 61.41 C ATOM 897 CD2 LEU A 56 -5.674 -27.723 -7.681 1.00 34.20 C ATOM 0 H LEU A 56 -7.994 -29.967 -6.356 1.00 14.15 H new ATOM 0 HA LEU A 56 -5.163 -30.163 -6.795 1.00 33.34 H new ATOM 0 HB2 LEU A 56 -7.089 -28.496 -5.335 1.00 1.04 H new ATOM 0 HB3 LEU A 56 -5.625 -28.781 -4.415 1.00 1.04 H new ATOM 0 HG LEU A 56 -5.677 -26.682 -5.819 1.00 71.21 H new ATOM 0 HD11 LEU A 56 -3.339 -26.920 -6.558 1.00 61.41 H new ATOM 0 HD12 LEU A 56 -3.594 -27.612 -4.938 1.00 61.41 H new ATOM 0 HD13 LEU A 56 -3.459 -28.684 -6.352 1.00 61.41 H new ATOM 0 HD21 LEU A 56 -5.164 -26.923 -8.218 1.00 34.20 H new ATOM 0 HD22 LEU A 56 -5.355 -28.687 -8.077 1.00 34.20 H new ATOM 0 HD23 LEU A 56 -6.751 -27.617 -7.810 1.00 34.20 H new ATOM 909 N VAL A 57 -6.444 -32.075 -4.625 1.00 42.32 N ATOM 910 CA VAL A 57 -6.187 -33.089 -3.609 1.00 41.44 C ATOM 911 C VAL A 57 -6.367 -34.492 -4.176 1.00 61.41 C ATOM 912 O VAL A 57 -5.392 -35.196 -4.438 1.00 62.53 O ATOM 913 CB VAL A 57 -7.117 -32.914 -2.394 1.00 74.14 C ATOM 914 CG1 VAL A 57 -6.356 -32.319 -1.220 1.00 12.42 C ATOM 915 CG2 VAL A 57 -8.313 -32.048 -2.760 1.00 12.22 C ATOM 0 H VAL A 57 -7.365 -32.137 -5.059 1.00 42.32 H new ATOM 0 HA VAL A 57 -5.154 -32.961 -3.287 1.00 41.44 H new ATOM 0 HB VAL A 57 -7.486 -33.895 -2.096 1.00 74.14 H new ATOM 0 HG11 VAL A 57 -7.030 -32.203 -0.371 1.00 12.42 H new ATOM 0 HG12 VAL A 57 -5.536 -32.982 -0.944 1.00 12.42 H new ATOM 0 HG13 VAL A 57 -5.956 -31.345 -1.502 1.00 12.42 H new ATOM 0 HG21 VAL A 57 -8.960 -31.935 -1.890 1.00 12.22 H new ATOM 0 HG22 VAL A 57 -7.966 -31.067 -3.085 1.00 12.22 H new ATOM 0 HG23 VAL A 57 -8.871 -32.521 -3.568 1.00 12.22 H new ATOM 925 N TRP A 58 -7.619 -34.892 -4.363 1.00 73.41 N ATOM 926 CA TRP A 58 -7.928 -36.213 -4.900 1.00 25.22 C ATOM 927 C TRP A 58 -7.964 -36.187 -6.424 1.00 4.42 C ATOM 928 O TRP A 58 -7.079 -36.730 -7.084 1.00 50.40 O ATOM 929 CB TRP A 58 -9.268 -36.708 -4.354 1.00 50.01 C ATOM 930 CG TRP A 58 -9.468 -38.184 -4.520 1.00 34.02 C ATOM 931 CD1 TRP A 58 -9.227 -38.923 -5.643 1.00 1.13 C ATOM 932 CD2 TRP A 58 -9.954 -39.099 -3.531 1.00 64.25 C ATOM 933 NE1 TRP A 58 -9.533 -40.243 -5.412 1.00 3.52 N ATOM 934 CE2 TRP A 58 -9.980 -40.377 -4.124 1.00 43.01 C ATOM 935 CE3 TRP A 58 -10.366 -38.964 -2.203 1.00 75.43 C ATOM 936 CZ2 TRP A 58 -10.404 -41.509 -3.433 1.00 64.02 C ATOM 937 CZ3 TRP A 58 -10.787 -40.089 -1.519 1.00 51.11 C ATOM 938 CH2 TRP A 58 -10.802 -41.348 -2.134 1.00 54.21 C ATOM 0 H TRP A 58 -8.437 -34.321 -4.151 1.00 73.41 H new ATOM 0 HA TRP A 58 -7.141 -36.898 -4.586 1.00 25.22 H new ATOM 0 HB2 TRP A 58 -9.336 -36.456 -3.296 1.00 50.01 H new ATOM 0 HB3 TRP A 58 -10.076 -36.180 -4.860 1.00 50.01 H new ATOM 0 HD1 TRP A 58 -8.851 -38.528 -6.575 1.00 1.13 H new ATOM 0 HE1 TRP A 58 -9.442 -41.000 -6.090 1.00 3.52 H new ATOM 0 HE3 TRP A 58 -10.356 -37.998 -1.720 1.00 75.43 H new ATOM 0 HZ2 TRP A 58 -10.418 -42.480 -3.906 1.00 64.02 H new ATOM 0 HZ3 TRP A 58 -11.110 -39.996 -0.493 1.00 51.11 H new ATOM 0 HH2 TRP A 58 -11.134 -42.208 -1.572 1.00 54.21 H new ATOM 949 N ASN A 59 -8.992 -35.551 -6.976 1.00 72.31 N ATOM 950 CA ASN A 59 -9.143 -35.455 -8.424 1.00 1.35 C ATOM 951 C ASN A 59 -10.404 -34.678 -8.788 1.00 74.25 C ATOM 952 O ASN A 59 -11.346 -34.599 -8.001 1.00 34.44 O ATOM 953 CB ASN A 59 -9.192 -36.851 -9.046 1.00 70.34 C ATOM 954 CG ASN A 59 -7.914 -37.201 -9.784 1.00 3.05 C ATOM 955 OD1 ASN A 59 -7.324 -38.258 -9.559 1.00 2.00 O ATOM 956 ND2 ASN A 59 -7.479 -36.312 -10.669 1.00 54.30 N ATOM 0 H ASN A 59 -9.733 -35.095 -6.443 1.00 72.31 H new ATOM 0 HA ASN A 59 -8.281 -34.919 -8.820 1.00 1.35 H new ATOM 0 HB2 ASN A 59 -9.370 -37.588 -8.263 1.00 70.34 H new ATOM 0 HB3 ASN A 59 -10.034 -36.909 -9.736 1.00 70.34 H new ATOM 0 HD21 ASN A 59 -6.624 -36.492 -11.195 1.00 54.30 H new ATOM 0 HD22 ASN A 59 -8.000 -35.449 -10.823 1.00 54.30 H new ATOM 963 N MET A 60 -10.415 -34.107 -9.988 1.00 62.14 N ATOM 964 CA MET A 60 -11.561 -33.338 -10.459 1.00 34.44 C ATOM 965 C MET A 60 -12.712 -34.261 -10.848 1.00 20.14 C ATOM 966 O MET A 60 -12.497 -35.414 -11.219 1.00 43.12 O ATOM 967 CB MET A 60 -11.164 -32.468 -11.653 1.00 31.24 C ATOM 968 CG MET A 60 -10.960 -33.255 -12.937 1.00 22.21 C ATOM 969 SD MET A 60 -9.965 -32.363 -14.147 1.00 70.05 S ATOM 970 CE MET A 60 -11.222 -31.380 -14.961 1.00 34.15 C ATOM 0 H MET A 60 -9.643 -34.162 -10.652 1.00 62.14 H new ATOM 0 HA MET A 60 -11.894 -32.694 -9.645 1.00 34.44 H new ATOM 0 HB2 MET A 60 -11.936 -31.716 -11.816 1.00 31.24 H new ATOM 0 HB3 MET A 60 -10.244 -31.934 -11.413 1.00 31.24 H new ATOM 0 HG2 MET A 60 -10.477 -34.204 -12.704 1.00 22.21 H new ATOM 0 HG3 MET A 60 -11.931 -33.490 -13.373 1.00 22.21 H new ATOM 0 HE1 MET A 60 -10.761 -30.771 -15.739 1.00 34.15 H new ATOM 0 HE2 MET A 60 -11.966 -32.039 -15.409 1.00 34.15 H new ATOM 0 HE3 MET A 60 -11.706 -30.731 -14.231 1.00 34.15 H new ATOM 980 N ASN A 61 -13.934 -33.746 -10.759 1.00 1.21 N ATOM 981 CA ASN A 61 -15.119 -34.525 -11.101 1.00 5.40 C ATOM 982 C ASN A 61 -16.376 -33.663 -11.028 1.00 23.33 C ATOM 983 O ASN A 61 -16.574 -32.916 -10.069 1.00 74.24 O ATOM 984 CB ASN A 61 -15.254 -35.725 -10.162 1.00 62.11 C ATOM 985 CG ASN A 61 -15.943 -36.902 -10.824 1.00 70.44 C ATOM 986 OD1 ASN A 61 -17.070 -37.253 -10.475 1.00 12.10 O ATOM 987 ND2 ASN A 61 -15.266 -37.519 -11.786 1.00 75.23 N ATOM 0 H ASN A 61 -14.130 -32.793 -10.453 1.00 1.21 H new ATOM 0 HA ASN A 61 -15.005 -34.884 -12.124 1.00 5.40 H new ATOM 0 HB2 ASN A 61 -14.264 -36.031 -9.823 1.00 62.11 H new ATOM 0 HB3 ASN A 61 -15.817 -35.429 -9.277 1.00 62.11 H new ATOM 0 HD21 ASN A 61 -15.678 -38.318 -12.268 1.00 75.23 H new ATOM 0 HD22 ASN A 61 -14.334 -37.194 -12.043 1.00 75.23 H new ATOM 994 N PHE A 62 -17.222 -33.774 -12.046 1.00 50.42 N ATOM 995 CA PHE A 62 -18.460 -33.005 -12.098 1.00 52.10 C ATOM 996 C PHE A 62 -19.305 -33.250 -10.851 1.00 40.12 C ATOM 997 O PHE A 62 -20.056 -32.377 -10.416 1.00 32.01 O ATOM 998 CB PHE A 62 -19.260 -33.371 -13.350 1.00 14.41 C ATOM 999 CG PHE A 62 -18.559 -33.025 -14.632 1.00 43.31 C ATOM 1000 CD1 PHE A 62 -18.342 -31.702 -14.984 1.00 31.12 C ATOM 1001 CD2 PHE A 62 -18.116 -34.022 -15.486 1.00 33.20 C ATOM 1002 CE1 PHE A 62 -17.696 -31.380 -16.163 1.00 34.32 C ATOM 1003 CE2 PHE A 62 -17.470 -33.706 -16.666 1.00 23.50 C ATOM 1004 CZ PHE A 62 -17.261 -32.384 -17.005 1.00 44.04 C ATOM 0 H PHE A 62 -17.073 -34.389 -12.846 1.00 50.42 H new ATOM 0 HA PHE A 62 -18.200 -31.947 -12.137 1.00 52.10 H new ATOM 0 HB2 PHE A 62 -19.470 -34.441 -13.337 1.00 14.41 H new ATOM 0 HB3 PHE A 62 -20.221 -32.857 -13.321 1.00 14.41 H new ATOM 0 HD1 PHE A 62 -18.682 -30.913 -14.329 1.00 31.12 H new ATOM 0 HD2 PHE A 62 -18.277 -35.058 -15.227 1.00 33.20 H new ATOM 0 HE1 PHE A 62 -17.532 -30.345 -16.425 1.00 34.32 H new ATOM 0 HE2 PHE A 62 -17.129 -34.493 -17.323 1.00 23.50 H new ATOM 0 HZ PHE A 62 -16.758 -32.136 -17.928 1.00 44.04 H new ATOM 1014 N ASP A 63 -19.176 -34.443 -10.282 1.00 74.31 N ATOM 1015 CA ASP A 63 -19.927 -34.804 -9.085 1.00 60.40 C ATOM 1016 C ASP A 63 -19.049 -34.704 -7.842 1.00 4.41 C ATOM 1017 O ASP A 63 -18.008 -35.354 -7.751 1.00 23.33 O ATOM 1018 CB ASP A 63 -20.486 -36.222 -9.216 1.00 30.00 C ATOM 1019 CG ASP A 63 -21.257 -36.424 -10.506 1.00 4.40 C ATOM 1020 OD1 ASP A 63 -20.614 -36.662 -11.550 1.00 51.33 O ATOM 1021 OD2 ASP A 63 -22.502 -36.344 -10.471 1.00 72.21 O ATOM 0 H ASP A 63 -18.559 -35.177 -10.630 1.00 74.31 H new ATOM 0 HA ASP A 63 -20.755 -34.103 -8.981 1.00 60.40 H new ATOM 0 HB2 ASP A 63 -19.666 -36.938 -9.171 1.00 30.00 H new ATOM 0 HB3 ASP A 63 -21.139 -36.431 -8.369 1.00 30.00 H new ATOM 1026 N SER A 64 -19.475 -33.883 -6.887 1.00 41.33 N ATOM 1027 CA SER A 64 -18.725 -33.693 -5.651 1.00 42.43 C ATOM 1028 C SER A 64 -18.404 -35.034 -4.999 1.00 2.11 C ATOM 1029 O SER A 64 -19.302 -35.820 -4.697 1.00 25.42 O ATOM 1030 CB SER A 64 -19.517 -32.816 -4.679 1.00 25.20 C ATOM 1031 OG SER A 64 -20.887 -33.178 -4.666 1.00 25.33 O ATOM 0 H SER A 64 -20.336 -33.339 -6.946 1.00 41.33 H new ATOM 0 HA SER A 64 -17.787 -33.195 -5.897 1.00 42.43 H new ATOM 0 HB2 SER A 64 -19.102 -32.914 -3.676 1.00 25.20 H new ATOM 0 HB3 SER A 64 -19.417 -31.769 -4.965 1.00 25.20 H new ATOM 0 HG SER A 64 -20.967 -34.155 -4.656 1.00 25.33 H new ATOM 1037 N ASP A 65 -17.118 -35.288 -4.785 1.00 4.42 N ATOM 1038 CA ASP A 65 -16.676 -36.533 -4.167 1.00 52.23 C ATOM 1039 C ASP A 65 -17.182 -36.636 -2.732 1.00 24.43 C ATOM 1040 O ASP A 65 -16.537 -36.157 -1.798 1.00 62.23 O ATOM 1041 CB ASP A 65 -15.150 -36.626 -4.192 1.00 22.12 C ATOM 1042 CG ASP A 65 -14.618 -37.054 -5.545 1.00 45.13 C ATOM 1043 OD1 ASP A 65 -15.077 -36.500 -6.566 1.00 51.11 O ATOM 1044 OD2 ASP A 65 -13.741 -37.942 -5.584 1.00 3.01 O ATOM 0 H ASP A 65 -16.363 -34.648 -5.030 1.00 4.42 H new ATOM 0 HA ASP A 65 -17.091 -37.362 -4.740 1.00 52.23 H new ATOM 0 HB2 ASP A 65 -14.726 -35.657 -3.928 1.00 22.12 H new ATOM 0 HB3 ASP A 65 -14.820 -37.336 -3.434 1.00 22.12 H new ATOM 1049 N THR A 66 -18.341 -37.265 -2.562 1.00 1.34 N ATOM 1050 CA THR A 66 -18.934 -37.429 -1.241 1.00 33.43 C ATOM 1051 C THR A 66 -18.792 -36.158 -0.412 1.00 13.02 C ATOM 1052 O THR A 66 -18.601 -36.215 0.802 1.00 20.50 O ATOM 1053 CB THR A 66 -18.289 -38.601 -0.477 1.00 72.21 C ATOM 1054 OG1 THR A 66 -18.983 -38.824 0.756 1.00 41.23 O ATOM 1055 CG2 THR A 66 -16.821 -38.320 -0.195 1.00 61.40 C ATOM 0 H THR A 66 -18.887 -37.669 -3.323 1.00 1.34 H new ATOM 0 HA THR A 66 -19.992 -37.643 -1.395 1.00 33.43 H new ATOM 0 HB THR A 66 -18.359 -39.493 -1.099 1.00 72.21 H new ATOM 0 HG1 THR A 66 -19.043 -37.982 1.254 1.00 41.23 H new ATOM 0 HG21 THR A 66 -16.387 -39.161 0.345 1.00 61.40 H new ATOM 0 HG22 THR A 66 -16.290 -38.180 -1.137 1.00 61.40 H new ATOM 0 HG23 THR A 66 -16.733 -37.417 0.409 1.00 61.40 H new ATOM 1063 N ASN A 67 -18.888 -35.010 -1.076 1.00 30.54 N ATOM 1064 CA ASN A 67 -18.770 -33.724 -0.399 1.00 12.10 C ATOM 1065 C ASN A 67 -17.597 -33.727 0.576 1.00 64.42 C ATOM 1066 O ASN A 67 -17.697 -33.208 1.687 1.00 11.23 O ATOM 1067 CB ASN A 67 -20.066 -33.396 0.346 1.00 4.41 C ATOM 1068 CG ASN A 67 -21.290 -33.523 -0.539 1.00 71.32 C ATOM 1069 OD1 ASN A 67 -21.616 -34.612 -1.014 1.00 1.52 O ATOM 1070 ND2 ASN A 67 -21.975 -32.408 -0.766 1.00 31.42 N ATOM 0 H ASN A 67 -19.047 -34.945 -2.081 1.00 30.54 H new ATOM 0 HA ASN A 67 -18.589 -32.959 -1.154 1.00 12.10 H new ATOM 0 HB2 ASN A 67 -20.169 -34.064 1.201 1.00 4.41 H new ATOM 0 HB3 ASN A 67 -20.009 -32.381 0.739 1.00 4.41 H new ATOM 0 HD21 ASN A 67 -22.808 -32.432 -1.354 1.00 31.42 H new ATOM 0 HD22 ASN A 67 -21.668 -31.528 -0.352 1.00 31.42 H new ATOM 1077 N VAL A 68 -16.483 -34.317 0.151 1.00 52.51 N ATOM 1078 CA VAL A 68 -15.289 -34.387 0.985 1.00 53.52 C ATOM 1079 C VAL A 68 -14.706 -32.999 1.227 1.00 41.02 C ATOM 1080 O VAL A 68 -14.064 -32.754 2.249 1.00 70.22 O ATOM 1081 CB VAL A 68 -14.210 -35.281 0.346 1.00 11.20 C ATOM 1082 CG1 VAL A 68 -13.714 -34.672 -0.956 1.00 42.43 C ATOM 1083 CG2 VAL A 68 -13.058 -35.500 1.315 1.00 11.30 C ATOM 0 H VAL A 68 -16.383 -34.753 -0.766 1.00 52.51 H new ATOM 0 HA VAL A 68 -15.593 -34.821 1.937 1.00 53.52 H new ATOM 0 HB VAL A 68 -14.653 -36.251 0.119 1.00 11.20 H new ATOM 0 HG11 VAL A 68 -12.952 -35.318 -1.393 1.00 42.43 H new ATOM 0 HG12 VAL A 68 -14.547 -34.572 -1.652 1.00 42.43 H new ATOM 0 HG13 VAL A 68 -13.287 -33.689 -0.758 1.00 42.43 H new ATOM 0 HG21 VAL A 68 -12.305 -36.134 0.847 1.00 11.30 H new ATOM 0 HG22 VAL A 68 -12.613 -34.539 1.575 1.00 11.30 H new ATOM 0 HG23 VAL A 68 -13.429 -35.984 2.218 1.00 11.30 H new ATOM 1093 N ILE A 69 -14.934 -32.094 0.281 1.00 64.23 N ATOM 1094 CA ILE A 69 -14.432 -30.730 0.392 1.00 22.31 C ATOM 1095 C ILE A 69 -15.162 -29.964 1.489 1.00 13.34 C ATOM 1096 O ILE A 69 -14.544 -29.471 2.433 1.00 34.05 O ATOM 1097 CB ILE A 69 -14.578 -29.966 -0.937 1.00 73.20 C ATOM 1098 CG1 ILE A 69 -13.819 -30.688 -2.052 1.00 22.21 C ATOM 1099 CG2 ILE A 69 -14.076 -28.538 -0.785 1.00 71.22 C ATOM 1100 CD1 ILE A 69 -12.348 -30.880 -1.755 1.00 31.33 C ATOM 0 H ILE A 69 -15.463 -32.281 -0.571 1.00 64.23 H new ATOM 0 HA ILE A 69 -13.374 -30.803 0.645 1.00 22.31 H new ATOM 0 HB ILE A 69 -15.634 -29.932 -1.205 1.00 73.20 H new ATOM 0 HG12 ILE A 69 -14.278 -31.662 -2.221 1.00 22.21 H new ATOM 0 HG13 ILE A 69 -13.924 -30.122 -2.978 1.00 22.21 H new ATOM 0 HG21 ILE A 69 -14.186 -28.011 -1.733 1.00 71.22 H new ATOM 0 HG22 ILE A 69 -14.657 -28.028 -0.017 1.00 71.22 H new ATOM 0 HG23 ILE A 69 -13.025 -28.551 -0.496 1.00 71.22 H new ATOM 0 HD11 ILE A 69 -11.873 -31.398 -2.588 1.00 31.33 H new ATOM 0 HD12 ILE A 69 -11.875 -29.908 -1.615 1.00 31.33 H new ATOM 0 HD13 ILE A 69 -12.234 -31.472 -0.847 1.00 31.33 H new ATOM 1112 N ASP A 70 -16.481 -29.869 1.359 1.00 1.54 N ATOM 1113 CA ASP A 70 -17.297 -29.164 2.342 1.00 72.44 C ATOM 1114 C ASP A 70 -17.068 -29.726 3.741 1.00 3.44 C ATOM 1115 O ASP A 70 -17.027 -28.981 4.721 1.00 21.11 O ATOM 1116 CB ASP A 70 -18.778 -29.268 1.974 1.00 52.23 C ATOM 1117 CG ASP A 70 -19.689 -28.968 3.148 1.00 42.50 C ATOM 1118 OD1 ASP A 70 -19.340 -28.084 3.958 1.00 24.12 O ATOM 1119 OD2 ASP A 70 -20.750 -29.617 3.257 1.00 13.33 O ATOM 0 H ASP A 70 -17.008 -30.271 0.583 1.00 1.54 H new ATOM 0 HA ASP A 70 -17.002 -28.115 2.338 1.00 72.44 H new ATOM 0 HB2 ASP A 70 -18.997 -28.575 1.162 1.00 52.23 H new ATOM 0 HB3 ASP A 70 -18.987 -30.271 1.602 1.00 52.23 H new ATOM 1124 N VAL A 71 -16.919 -31.044 3.828 1.00 14.32 N ATOM 1125 CA VAL A 71 -16.694 -31.705 5.108 1.00 71.11 C ATOM 1126 C VAL A 71 -15.293 -31.417 5.636 1.00 32.41 C ATOM 1127 O VAL A 71 -15.071 -31.378 6.846 1.00 50.42 O ATOM 1128 CB VAL A 71 -16.885 -33.229 4.993 1.00 24.21 C ATOM 1129 CG1 VAL A 71 -16.605 -33.904 6.327 1.00 35.33 C ATOM 1130 CG2 VAL A 71 -18.288 -33.555 4.505 1.00 60.03 C ATOM 0 H VAL A 71 -16.950 -31.675 3.027 1.00 14.32 H new ATOM 0 HA VAL A 71 -17.431 -31.306 5.805 1.00 71.11 H new ATOM 0 HB VAL A 71 -16.173 -33.613 4.262 1.00 24.21 H new ATOM 0 HG11 VAL A 71 -16.745 -34.980 6.227 1.00 35.33 H new ATOM 0 HG12 VAL A 71 -15.579 -33.698 6.630 1.00 35.33 H new ATOM 0 HG13 VAL A 71 -17.291 -33.518 7.081 1.00 35.33 H new ATOM 0 HG21 VAL A 71 -18.405 -34.636 4.430 1.00 60.03 H new ATOM 0 HG22 VAL A 71 -19.019 -33.159 5.209 1.00 60.03 H new ATOM 0 HG23 VAL A 71 -18.447 -33.104 3.526 1.00 60.03 H new ATOM 1140 N ALA A 72 -14.351 -31.217 4.720 1.00 12.13 N ATOM 1141 CA ALA A 72 -12.972 -30.930 5.094 1.00 63.14 C ATOM 1142 C ALA A 72 -12.852 -29.553 5.737 1.00 50.43 C ATOM 1143 O ALA A 72 -12.056 -29.352 6.654 1.00 14.34 O ATOM 1144 CB ALA A 72 -12.064 -31.027 3.876 1.00 14.11 C ATOM 0 H ALA A 72 -14.518 -31.248 3.714 1.00 12.13 H new ATOM 0 HA ALA A 72 -12.659 -31.673 5.828 1.00 63.14 H new ATOM 0 HB1 ALA A 72 -11.037 -30.810 4.170 1.00 14.11 H new ATOM 0 HB2 ALA A 72 -12.118 -32.033 3.461 1.00 14.11 H new ATOM 0 HB3 ALA A 72 -12.386 -30.307 3.124 1.00 14.11 H new ATOM 1150 N VAL A 73 -13.647 -28.606 5.249 1.00 52.32 N ATOM 1151 CA VAL A 73 -13.630 -27.247 5.776 1.00 15.44 C ATOM 1152 C VAL A 73 -14.379 -27.162 7.102 1.00 72.33 C ATOM 1153 O VAL A 73 -13.968 -26.445 8.014 1.00 53.01 O ATOM 1154 CB VAL A 73 -14.256 -26.251 4.782 1.00 40.33 C ATOM 1155 CG1 VAL A 73 -14.045 -24.820 5.254 1.00 22.30 C ATOM 1156 CG2 VAL A 73 -13.675 -26.453 3.390 1.00 15.42 C ATOM 0 H VAL A 73 -14.311 -28.755 4.489 1.00 52.32 H new ATOM 0 HA VAL A 73 -12.584 -26.983 5.934 1.00 15.44 H new ATOM 0 HB VAL A 73 -15.329 -26.437 4.735 1.00 40.33 H new ATOM 0 HG11 VAL A 73 -14.494 -24.131 4.539 1.00 22.30 H new ATOM 0 HG12 VAL A 73 -14.512 -24.686 6.230 1.00 22.30 H new ATOM 0 HG13 VAL A 73 -12.977 -24.616 5.332 1.00 22.30 H new ATOM 0 HG21 VAL A 73 -14.128 -25.741 2.700 1.00 15.42 H new ATOM 0 HG22 VAL A 73 -12.597 -26.294 3.419 1.00 15.42 H new ATOM 0 HG23 VAL A 73 -13.883 -27.468 3.053 1.00 15.42 H new ATOM 1166 N ARG A 74 -15.480 -27.900 7.201 1.00 31.30 N ATOM 1167 CA ARG A 74 -16.287 -27.909 8.415 1.00 13.30 C ATOM 1168 C ARG A 74 -15.595 -28.697 9.523 1.00 43.20 C ATOM 1169 O ARG A 74 -15.652 -28.321 10.694 1.00 24.31 O ATOM 1170 CB ARG A 74 -17.666 -28.509 8.132 1.00 24.24 C ATOM 1171 CG ARG A 74 -18.531 -27.648 7.227 1.00 13.14 C ATOM 1172 CD ARG A 74 -19.267 -26.576 8.016 1.00 35.30 C ATOM 1173 NE ARG A 74 -20.370 -27.131 8.797 1.00 62.41 N ATOM 1174 CZ ARG A 74 -21.556 -27.436 8.281 1.00 5.32 C ATOM 1175 NH1 ARG A 74 -21.791 -27.240 6.991 1.00 11.02 N ATOM 1176 NH2 ARG A 74 -22.508 -27.937 9.056 1.00 35.44 N ATOM 0 H ARG A 74 -15.833 -28.499 6.455 1.00 31.30 H new ATOM 0 HA ARG A 74 -16.408 -26.878 8.748 1.00 13.30 H new ATOM 0 HB2 ARG A 74 -17.539 -29.490 7.673 1.00 24.24 H new ATOM 0 HB3 ARG A 74 -18.186 -28.664 9.077 1.00 24.24 H new ATOM 0 HG2 ARG A 74 -17.908 -27.178 6.466 1.00 13.14 H new ATOM 0 HG3 ARG A 74 -19.252 -28.277 6.705 1.00 13.14 H new ATOM 0 HD2 ARG A 74 -18.567 -26.073 8.683 1.00 35.30 H new ATOM 0 HD3 ARG A 74 -19.652 -25.821 7.330 1.00 35.30 H new ATOM 0 HE ARG A 74 -20.222 -27.293 9.793 1.00 62.41 H new ATOM 0 HH11 ARG A 74 -21.061 -26.854 6.392 1.00 11.02 H new ATOM 0 HH12 ARG A 74 -22.702 -27.475 6.597 1.00 11.02 H new ATOM 0 HH21 ARG A 74 -22.330 -28.088 10.049 1.00 35.44 H new ATOM 0 HH22 ARG A 74 -23.418 -28.171 8.659 1.00 35.44 H new ATOM 1190 N ARG A 75 -14.942 -29.791 9.145 1.00 40.24 N ATOM 1191 CA ARG A 75 -14.240 -30.633 10.106 1.00 51.30 C ATOM 1192 C ARG A 75 -13.008 -29.920 10.655 1.00 43.20 C ATOM 1193 O ARG A 75 -12.702 -30.012 11.845 1.00 54.02 O ATOM 1194 CB ARG A 75 -13.830 -31.955 9.454 1.00 2.45 C ATOM 1195 CG ARG A 75 -12.668 -31.820 8.484 1.00 23.51 C ATOM 1196 CD ARG A 75 -12.295 -33.162 7.872 1.00 10.14 C ATOM 1197 NE ARG A 75 -11.774 -34.093 8.870 1.00 12.41 N ATOM 1198 CZ ARG A 75 -11.138 -35.218 8.564 1.00 35.11 C ATOM 1199 NH1 ARG A 75 -10.946 -35.550 7.295 1.00 23.51 N ATOM 1200 NH2 ARG A 75 -10.694 -36.014 9.528 1.00 3.45 N ATOM 0 H ARG A 75 -14.885 -30.115 8.180 1.00 40.24 H new ATOM 0 HA ARG A 75 -14.918 -30.839 10.934 1.00 51.30 H new ATOM 0 HB2 ARG A 75 -13.560 -32.667 10.234 1.00 2.45 H new ATOM 0 HB3 ARG A 75 -14.688 -32.371 8.925 1.00 2.45 H new ATOM 0 HG2 ARG A 75 -12.933 -31.119 7.693 1.00 23.51 H new ATOM 0 HG3 ARG A 75 -11.805 -31.403 9.004 1.00 23.51 H new ATOM 0 HD2 ARG A 75 -13.171 -33.598 7.392 1.00 10.14 H new ATOM 0 HD3 ARG A 75 -11.548 -33.010 7.093 1.00 10.14 H new ATOM 0 HE ARG A 75 -11.906 -33.867 9.856 1.00 12.41 H new ATOM 0 HH11 ARG A 75 -11.287 -34.941 6.551 1.00 23.51 H new ATOM 0 HH12 ARG A 75 -10.457 -36.415 7.062 1.00 23.51 H new ATOM 0 HH21 ARG A 75 -10.841 -35.762 10.505 1.00 3.45 H new ATOM 0 HH22 ARG A 75 -10.206 -36.878 9.292 1.00 3.45 H new ATOM 1214 N LEU A 76 -12.303 -29.210 9.781 1.00 51.21 N ATOM 1215 CA LEU A 76 -11.103 -28.481 10.177 1.00 31.14 C ATOM 1216 C LEU A 76 -11.463 -27.238 10.985 1.00 23.43 C ATOM 1217 O LEU A 76 -10.743 -26.857 11.909 1.00 55.54 O ATOM 1218 CB LEU A 76 -10.293 -28.084 8.942 1.00 4.35 C ATOM 1219 CG LEU A 76 -10.627 -26.723 8.329 1.00 30.44 C ATOM 1220 CD1 LEU A 76 -9.905 -25.611 9.073 1.00 0.42 C ATOM 1221 CD2 LEU A 76 -10.266 -26.701 6.851 1.00 23.23 C ATOM 0 H LEU A 76 -12.542 -29.124 8.793 1.00 51.21 H new ATOM 0 HA LEU A 76 -10.499 -29.137 10.804 1.00 31.14 H new ATOM 0 HB2 LEU A 76 -9.236 -28.091 9.208 1.00 4.35 H new ATOM 0 HB3 LEU A 76 -10.434 -28.849 8.178 1.00 4.35 H new ATOM 0 HG LEU A 76 -11.700 -26.557 8.423 1.00 30.44 H new ATOM 0 HD11 LEU A 76 -10.155 -24.650 8.623 1.00 0.42 H new ATOM 0 HD12 LEU A 76 -10.213 -25.613 10.119 1.00 0.42 H new ATOM 0 HD13 LEU A 76 -8.829 -25.772 9.012 1.00 0.42 H new ATOM 0 HD21 LEU A 76 -10.510 -25.725 6.431 1.00 23.23 H new ATOM 0 HD22 LEU A 76 -9.199 -26.889 6.734 1.00 23.23 H new ATOM 0 HD23 LEU A 76 -10.830 -27.473 6.327 1.00 23.23 H new ATOM 1233 N ARG A 77 -12.581 -26.613 10.633 1.00 51.23 N ATOM 1234 CA ARG A 77 -13.037 -25.414 11.326 1.00 42.24 C ATOM 1235 C ARG A 77 -13.365 -25.720 12.784 1.00 75.42 C ATOM 1236 O ARG A 77 -12.970 -24.984 13.688 1.00 71.33 O ATOM 1237 CB ARG A 77 -14.266 -24.831 10.626 1.00 33.13 C ATOM 1238 CG ARG A 77 -14.610 -23.420 11.074 1.00 44.43 C ATOM 1239 CD ARG A 77 -15.393 -23.423 12.377 1.00 23.42 C ATOM 1240 NE ARG A 77 -16.616 -22.631 12.283 1.00 21.01 N ATOM 1241 CZ ARG A 77 -17.727 -23.062 11.696 1.00 11.54 C ATOM 1242 NH1 ARG A 77 -17.769 -24.271 11.155 1.00 60.02 N ATOM 1243 NH2 ARG A 77 -18.800 -22.282 11.651 1.00 42.21 N ATOM 0 H ARG A 77 -13.188 -26.917 9.872 1.00 51.23 H new ATOM 0 HA ARG A 77 -12.231 -24.681 11.300 1.00 42.24 H new ATOM 0 HB2 ARG A 77 -14.094 -24.830 9.550 1.00 33.13 H new ATOM 0 HB3 ARG A 77 -15.121 -25.481 10.811 1.00 33.13 H new ATOM 0 HG2 ARG A 77 -13.693 -22.844 11.201 1.00 44.43 H new ATOM 0 HG3 ARG A 77 -15.194 -22.923 10.299 1.00 44.43 H new ATOM 0 HD2 ARG A 77 -15.645 -24.449 12.646 1.00 23.42 H new ATOM 0 HD3 ARG A 77 -14.767 -23.029 13.177 1.00 23.42 H new ATOM 0 HE ARG A 77 -16.617 -21.696 12.690 1.00 21.01 H new ATOM 0 HH11 ARG A 77 -16.947 -24.874 11.189 1.00 60.02 H new ATOM 0 HH12 ARG A 77 -18.624 -24.599 10.705 1.00 60.02 H new ATOM 0 HH21 ARG A 77 -18.772 -21.351 12.067 1.00 42.21 H new ATOM 0 HH22 ARG A 77 -19.653 -22.613 11.200 1.00 42.21 H new ATOM 1257 N SER A 78 -14.092 -26.812 13.005 1.00 43.44 N ATOM 1258 CA SER A 78 -14.477 -27.213 14.352 1.00 34.43 C ATOM 1259 C SER A 78 -13.324 -27.919 15.060 1.00 53.51 C ATOM 1260 O SER A 78 -13.449 -28.338 16.211 1.00 54.42 O ATOM 1261 CB SER A 78 -15.699 -28.133 14.303 1.00 12.21 C ATOM 1262 OG SER A 78 -16.454 -28.042 15.499 1.00 55.33 O ATOM 0 H SER A 78 -14.425 -27.434 12.268 1.00 43.44 H new ATOM 0 HA SER A 78 -14.729 -26.314 14.914 1.00 34.43 H new ATOM 0 HB2 SER A 78 -16.326 -27.865 13.452 1.00 12.21 H new ATOM 0 HB3 SER A 78 -15.377 -29.163 14.150 1.00 12.21 H new ATOM 0 HG SER A 78 -17.230 -28.638 15.442 1.00 55.33 H new ATOM 1268 N LYS A 79 -12.200 -28.046 14.363 1.00 74.32 N ATOM 1269 CA LYS A 79 -11.023 -28.699 14.922 1.00 24.11 C ATOM 1270 C LYS A 79 -10.212 -27.725 15.771 1.00 41.24 C ATOM 1271 O LYS A 79 -9.515 -28.130 16.702 1.00 41.44 O ATOM 1272 CB LYS A 79 -10.148 -29.266 13.802 1.00 70.14 C ATOM 1273 CG LYS A 79 -10.075 -30.783 13.796 1.00 64.23 C ATOM 1274 CD LYS A 79 -9.250 -31.297 12.627 1.00 31.15 C ATOM 1275 CE LYS A 79 -7.788 -30.900 12.760 1.00 22.20 C ATOM 1276 NZ LYS A 79 -7.145 -31.537 13.943 1.00 15.43 N ATOM 0 H LYS A 79 -12.080 -27.705 13.409 1.00 74.32 H new ATOM 0 HA LYS A 79 -11.361 -29.516 15.560 1.00 24.11 H new ATOM 0 HB2 LYS A 79 -10.536 -28.925 12.842 1.00 70.14 H new ATOM 0 HB3 LYS A 79 -9.140 -28.863 13.900 1.00 70.14 H new ATOM 0 HG2 LYS A 79 -9.638 -31.131 14.732 1.00 64.23 H new ATOM 0 HG3 LYS A 79 -11.082 -31.196 13.742 1.00 64.23 H new ATOM 0 HD2 LYS A 79 -9.330 -32.383 12.573 1.00 31.15 H new ATOM 0 HD3 LYS A 79 -9.652 -30.901 11.694 1.00 31.15 H new ATOM 0 HE2 LYS A 79 -7.250 -31.187 11.856 1.00 22.20 H new ATOM 0 HE3 LYS A 79 -7.712 -29.816 12.846 1.00 22.20 H new ATOM 0 HZ1 LYS A 79 -6.112 -31.440 13.871 1.00 15.43 H new ATOM 0 HZ2 LYS A 79 -7.477 -31.071 14.811 1.00 15.43 H new ATOM 0 HZ3 LYS A 79 -7.397 -32.546 13.974 1.00 15.43 H new ATOM 1290 N ILE A 80 -10.309 -26.441 15.444 1.00 41.50 N ATOM 1291 CA ILE A 80 -9.586 -25.409 16.178 1.00 34.43 C ATOM 1292 C ILE A 80 -10.318 -24.073 16.113 1.00 32.12 C ATOM 1293 O ILE A 80 -10.385 -23.342 17.101 1.00 14.33 O ATOM 1294 CB ILE A 80 -8.158 -25.226 15.633 1.00 24.51 C ATOM 1295 CG1 ILE A 80 -7.534 -23.948 16.195 1.00 4.43 C ATOM 1296 CG2 ILE A 80 -8.172 -25.191 14.112 1.00 25.32 C ATOM 1297 CD1 ILE A 80 -7.672 -22.753 15.277 1.00 33.42 C ATOM 0 H ILE A 80 -10.881 -26.090 14.676 1.00 41.50 H new ATOM 0 HA ILE A 80 -9.530 -25.740 17.215 1.00 34.43 H new ATOM 0 HB ILE A 80 -7.552 -26.074 15.952 1.00 24.51 H new ATOM 0 HG12 ILE A 80 -8.001 -23.716 17.152 1.00 4.43 H new ATOM 0 HG13 ILE A 80 -6.476 -24.125 16.391 1.00 4.43 H new ATOM 0 HG21 ILE A 80 -7.155 -25.061 13.742 1.00 25.32 H new ATOM 0 HG22 ILE A 80 -8.580 -26.127 13.730 1.00 25.32 H new ATOM 0 HG23 ILE A 80 -8.791 -24.360 13.773 1.00 25.32 H new ATOM 0 HD11 ILE A 80 -7.207 -21.883 15.740 1.00 33.42 H new ATOM 0 HD12 ILE A 80 -7.180 -22.965 14.328 1.00 33.42 H new ATOM 0 HD13 ILE A 80 -8.728 -22.549 15.101 1.00 33.42 H new ATOM 1309 N ASP A 81 -10.867 -23.762 14.944 1.00 5.30 N ATOM 1310 CA ASP A 81 -11.597 -22.514 14.750 1.00 22.40 C ATOM 1311 C ASP A 81 -12.940 -22.553 15.472 1.00 73.45 C ATOM 1312 O ASP A 81 -13.654 -21.552 15.530 1.00 1.14 O ATOM 1313 CB ASP A 81 -11.812 -22.251 13.259 1.00 71.22 C ATOM 1314 CG ASP A 81 -12.104 -20.793 12.965 1.00 73.05 C ATOM 1315 OD1 ASP A 81 -13.227 -20.340 13.270 1.00 50.01 O ATOM 1316 OD2 ASP A 81 -11.211 -20.105 12.428 1.00 44.01 O ATOM 0 H ASP A 81 -10.821 -24.357 14.116 1.00 5.30 H new ATOM 0 HA ASP A 81 -11.002 -21.704 15.171 1.00 22.40 H new ATOM 0 HB2 ASP A 81 -10.924 -22.559 12.707 1.00 71.22 H new ATOM 0 HB3 ASP A 81 -12.639 -22.864 12.900 1.00 71.22 H new ATOM 1321 N ASP A 82 -13.279 -23.716 16.018 1.00 41.01 N ATOM 1322 CA ASP A 82 -14.537 -23.886 16.736 1.00 41.14 C ATOM 1323 C ASP A 82 -14.747 -22.756 17.739 1.00 20.31 C ATOM 1324 O ASP A 82 -15.849 -22.222 17.866 1.00 20.31 O ATOM 1325 CB ASP A 82 -14.560 -25.235 17.456 1.00 63.24 C ATOM 1326 CG ASP A 82 -15.965 -25.676 17.815 1.00 11.11 C ATOM 1327 OD1 ASP A 82 -16.927 -25.067 17.302 1.00 62.45 O ATOM 1328 OD2 ASP A 82 -16.103 -26.629 18.611 1.00 51.31 O ATOM 0 H ASP A 82 -12.700 -24.555 15.977 1.00 41.01 H new ATOM 0 HA ASP A 82 -15.349 -23.858 16.009 1.00 41.14 H new ATOM 0 HB2 ASP A 82 -14.096 -25.990 16.821 1.00 63.24 H new ATOM 0 HB3 ASP A 82 -13.960 -25.169 18.364 1.00 63.24 H new ATOM 1333 N ASP A 83 -13.683 -22.398 18.450 1.00 35.31 N ATOM 1334 CA ASP A 83 -13.751 -21.332 19.443 1.00 60.13 C ATOM 1335 C ASP A 83 -12.729 -20.241 19.139 1.00 25.40 C ATOM 1336 O ASP A 83 -12.928 -19.076 19.483 1.00 62.04 O ATOM 1337 CB ASP A 83 -13.513 -21.895 20.845 1.00 60.54 C ATOM 1338 CG ASP A 83 -14.164 -21.054 21.925 1.00 72.42 C ATOM 1339 OD1 ASP A 83 -15.411 -20.999 21.962 1.00 40.32 O ATOM 1340 OD2 ASP A 83 -13.427 -20.451 22.733 1.00 60.13 O ATOM 0 H ASP A 83 -12.764 -22.830 18.357 1.00 35.31 H new ATOM 0 HA ASP A 83 -14.748 -20.893 19.401 1.00 60.13 H new ATOM 0 HB2 ASP A 83 -13.903 -22.912 20.896 1.00 60.54 H new ATOM 0 HB3 ASP A 83 -12.441 -21.955 21.032 1.00 60.54 H new ATOM 1345 N PHE A 84 -11.633 -20.628 18.494 1.00 42.30 N ATOM 1346 CA PHE A 84 -10.578 -19.683 18.146 1.00 64.32 C ATOM 1347 C PHE A 84 -11.144 -18.497 17.371 1.00 65.04 C ATOM 1348 O PHE A 84 -10.687 -17.365 17.528 1.00 20.33 O ATOM 1349 CB PHE A 84 -9.495 -20.378 17.318 1.00 62.33 C ATOM 1350 CG PHE A 84 -8.406 -20.994 18.150 1.00 55.11 C ATOM 1351 CD1 PHE A 84 -8.690 -22.021 19.036 1.00 53.14 C ATOM 1352 CD2 PHE A 84 -7.100 -20.545 18.047 1.00 64.11 C ATOM 1353 CE1 PHE A 84 -7.691 -22.590 19.803 1.00 50.14 C ATOM 1354 CE2 PHE A 84 -6.096 -21.110 18.811 1.00 73.51 C ATOM 1355 CZ PHE A 84 -6.392 -22.133 19.691 1.00 75.23 C ATOM 0 H PHE A 84 -11.452 -21.588 18.202 1.00 42.30 H new ATOM 0 HA PHE A 84 -10.137 -19.312 19.071 1.00 64.32 H new ATOM 0 HB2 PHE A 84 -9.958 -21.154 16.708 1.00 62.33 H new ATOM 0 HB3 PHE A 84 -9.053 -19.655 16.633 1.00 62.33 H new ATOM 0 HD1 PHE A 84 -9.704 -22.381 19.128 1.00 53.14 H new ATOM 0 HD2 PHE A 84 -6.863 -19.744 17.362 1.00 64.11 H new ATOM 0 HE1 PHE A 84 -7.925 -23.391 20.489 1.00 50.14 H new ATOM 0 HE2 PHE A 84 -5.081 -20.752 18.720 1.00 73.51 H new ATOM 0 HZ PHE A 84 -5.610 -22.575 20.290 1.00 75.23 H new ATOM 1365 N GLU A 85 -12.140 -18.766 16.533 1.00 60.21 N ATOM 1366 CA GLU A 85 -12.767 -17.721 15.732 1.00 31.41 C ATOM 1367 C GLU A 85 -14.229 -18.056 15.450 1.00 50.13 C ATOM 1368 O GLU A 85 -14.659 -19.206 15.546 1.00 2.45 O ATOM 1369 CB GLU A 85 -12.012 -17.535 14.415 1.00 44.14 C ATOM 1370 CG GLU A 85 -10.835 -16.579 14.518 1.00 63.51 C ATOM 1371 CD GLU A 85 -11.266 -15.148 14.773 1.00 22.21 C ATOM 1372 OE1 GLU A 85 -11.448 -14.784 15.954 1.00 65.24 O ATOM 1373 OE2 GLU A 85 -11.421 -14.392 13.791 1.00 30.13 O ATOM 0 H GLU A 85 -12.530 -19.698 16.391 1.00 60.21 H new ATOM 0 HA GLU A 85 -12.728 -16.791 16.299 1.00 31.41 H new ATOM 0 HB2 GLU A 85 -11.652 -18.505 14.072 1.00 44.14 H new ATOM 0 HB3 GLU A 85 -12.704 -17.166 13.658 1.00 44.14 H new ATOM 0 HG2 GLU A 85 -10.176 -16.905 15.323 1.00 63.51 H new ATOM 0 HG3 GLU A 85 -10.256 -16.621 13.596 1.00 63.51 H new ATOM 1380 N PRO A 86 -15.013 -17.028 15.093 1.00 44.54 N ATOM 1381 CA PRO A 86 -16.438 -17.186 14.789 1.00 62.51 C ATOM 1382 C PRO A 86 -16.672 -17.944 13.487 1.00 70.53 C ATOM 1383 O PRO A 86 -15.743 -18.511 12.910 1.00 13.00 O ATOM 1384 CB PRO A 86 -16.937 -15.745 14.666 1.00 52.23 C ATOM 1385 CG PRO A 86 -15.731 -14.958 14.284 1.00 54.41 C ATOM 1386 CD PRO A 86 -14.567 -15.630 14.957 1.00 33.52 C ATOM 0 HA PRO A 86 -16.956 -17.766 15.553 1.00 62.51 H new ATOM 0 HB2 PRO A 86 -17.720 -15.660 13.913 1.00 52.23 H new ATOM 0 HB3 PRO A 86 -17.360 -15.391 15.606 1.00 52.23 H new ATOM 0 HG2 PRO A 86 -15.601 -14.944 13.202 1.00 54.41 H new ATOM 0 HG3 PRO A 86 -15.823 -13.921 14.607 1.00 54.41 H new ATOM 0 HD2 PRO A 86 -13.659 -15.554 14.359 1.00 33.52 H new ATOM 0 HD3 PRO A 86 -14.349 -15.181 15.926 1.00 33.52 H new ATOM 1394 N LYS A 87 -17.919 -17.951 13.027 1.00 22.03 N ATOM 1395 CA LYS A 87 -18.276 -18.638 11.792 1.00 41.23 C ATOM 1396 C LYS A 87 -17.923 -17.788 10.575 1.00 12.23 C ATOM 1397 O LYS A 87 -18.769 -17.068 10.042 1.00 5.20 O ATOM 1398 CB LYS A 87 -19.770 -18.967 11.781 1.00 73.52 C ATOM 1399 CG LYS A 87 -20.658 -17.775 12.093 1.00 74.53 C ATOM 1400 CD LYS A 87 -21.892 -17.752 11.205 1.00 4.44 C ATOM 1401 CE LYS A 87 -22.975 -16.852 11.781 1.00 42.15 C ATOM 1402 NZ LYS A 87 -22.542 -15.428 11.836 1.00 24.22 N ATOM 0 H LYS A 87 -18.700 -17.488 13.492 1.00 22.03 H new ATOM 0 HA LYS A 87 -17.705 -19.565 11.744 1.00 41.23 H new ATOM 0 HB2 LYS A 87 -20.039 -19.363 10.802 1.00 73.52 H new ATOM 0 HB3 LYS A 87 -19.965 -19.755 12.508 1.00 73.52 H new ATOM 0 HG2 LYS A 87 -20.962 -17.810 13.139 1.00 74.53 H new ATOM 0 HG3 LYS A 87 -20.093 -16.853 11.956 1.00 74.53 H new ATOM 0 HD2 LYS A 87 -21.619 -17.403 10.209 1.00 4.44 H new ATOM 0 HD3 LYS A 87 -22.280 -18.764 11.093 1.00 4.44 H new ATOM 0 HE2 LYS A 87 -23.876 -16.934 11.174 1.00 42.15 H new ATOM 0 HE3 LYS A 87 -23.234 -17.192 12.784 1.00 42.15 H new ATOM 0 HZ1 LYS A 87 -23.314 -14.845 12.218 1.00 24.22 H new ATOM 0 HZ2 LYS A 87 -21.707 -15.343 12.450 1.00 24.22 H new ATOM 0 HZ3 LYS A 87 -22.303 -15.101 10.878 1.00 24.22 H new ATOM 1416 N LEU A 88 -16.671 -17.877 10.140 1.00 12.31 N ATOM 1417 CA LEU A 88 -16.207 -17.117 8.985 1.00 50.33 C ATOM 1418 C LEU A 88 -16.584 -17.819 7.684 1.00 1.40 C ATOM 1419 O LEU A 88 -16.536 -17.221 6.608 1.00 22.14 O ATOM 1420 CB LEU A 88 -14.691 -16.923 9.052 1.00 12.04 C ATOM 1421 CG LEU A 88 -14.191 -15.892 10.064 1.00 2.53 C ATOM 1422 CD1 LEU A 88 -14.326 -16.425 11.482 1.00 72.21 C ATOM 1423 CD2 LEU A 88 -12.746 -15.513 9.770 1.00 34.45 C ATOM 0 H LEU A 88 -15.959 -18.468 10.570 1.00 12.31 H new ATOM 0 HA LEU A 88 -16.693 -16.142 9.004 1.00 50.33 H new ATOM 0 HB2 LEU A 88 -14.232 -17.884 9.285 1.00 12.04 H new ATOM 0 HB3 LEU A 88 -14.338 -16.632 8.063 1.00 12.04 H new ATOM 0 HG LEU A 88 -14.806 -14.997 9.975 1.00 2.53 H new ATOM 0 HD11 LEU A 88 -13.965 -15.677 12.188 1.00 72.21 H new ATOM 0 HD12 LEU A 88 -15.373 -16.645 11.690 1.00 72.21 H new ATOM 0 HD13 LEU A 88 -13.737 -17.336 11.586 1.00 72.21 H new ATOM 0 HD21 LEU A 88 -12.407 -14.778 10.500 1.00 34.45 H new ATOM 0 HD22 LEU A 88 -12.117 -16.401 9.830 1.00 34.45 H new ATOM 0 HD23 LEU A 88 -12.678 -15.088 8.769 1.00 34.45 H new ATOM 1435 N ILE A 89 -16.960 -19.088 7.791 1.00 74.43 N ATOM 1436 CA ILE A 89 -17.349 -19.870 6.623 1.00 23.13 C ATOM 1437 C ILE A 89 -18.657 -19.358 6.029 1.00 24.32 C ATOM 1438 O ILE A 89 -19.674 -19.275 6.719 1.00 64.14 O ATOM 1439 CB ILE A 89 -17.505 -21.362 6.972 1.00 74.14 C ATOM 1440 CG1 ILE A 89 -16.198 -21.915 7.544 1.00 53.42 C ATOM 1441 CG2 ILE A 89 -17.927 -22.152 5.741 1.00 10.35 C ATOM 1442 CD1 ILE A 89 -16.278 -23.375 7.931 1.00 2.44 C ATOM 0 H ILE A 89 -17.004 -19.597 8.674 1.00 74.43 H new ATOM 0 HA ILE A 89 -16.552 -19.759 5.888 1.00 23.13 H new ATOM 0 HB ILE A 89 -18.282 -21.463 7.730 1.00 74.14 H new ATOM 0 HG12 ILE A 89 -15.405 -21.786 6.807 1.00 53.42 H new ATOM 0 HG13 ILE A 89 -15.918 -21.330 8.420 1.00 53.42 H new ATOM 0 HG21 ILE A 89 -18.033 -23.205 6.003 1.00 10.35 H new ATOM 0 HG22 ILE A 89 -18.880 -21.772 5.374 1.00 10.35 H new ATOM 0 HG23 ILE A 89 -17.170 -22.046 4.964 1.00 10.35 H new ATOM 0 HD11 ILE A 89 -15.316 -23.699 8.329 1.00 2.44 H new ATOM 0 HD12 ILE A 89 -17.048 -23.508 8.691 1.00 2.44 H new ATOM 0 HD13 ILE A 89 -16.527 -23.971 7.053 1.00 2.44 H new ATOM 1454 N HIS A 90 -18.624 -19.018 4.745 1.00 45.23 N ATOM 1455 CA HIS A 90 -19.807 -18.516 4.056 1.00 34.11 C ATOM 1456 C HIS A 90 -19.939 -19.146 2.673 1.00 40.13 C ATOM 1457 O HIS A 90 -18.960 -19.259 1.934 1.00 10.20 O ATOM 1458 CB HIS A 90 -19.744 -16.993 3.932 1.00 34.52 C ATOM 1459 CG HIS A 90 -20.357 -16.272 5.093 1.00 71.20 C ATOM 1460 ND1 HIS A 90 -21.478 -15.477 4.978 1.00 4.33 N ATOM 1461 CD2 HIS A 90 -20.000 -16.231 6.398 1.00 12.00 C ATOM 1462 CE1 HIS A 90 -21.782 -14.976 6.162 1.00 13.02 C ATOM 1463 NE2 HIS A 90 -20.901 -15.419 7.041 1.00 15.32 N ATOM 0 H HIS A 90 -17.791 -19.081 4.160 1.00 45.23 H new ATOM 0 HA HIS A 90 -20.683 -18.789 4.645 1.00 34.11 H new ATOM 0 HB2 HIS A 90 -18.702 -16.687 3.834 1.00 34.52 H new ATOM 0 HB3 HIS A 90 -20.253 -16.690 3.017 1.00 34.52 H new ATOM 0 HD2 HIS A 90 -19.162 -16.742 6.849 1.00 12.00 H new ATOM 0 HE1 HIS A 90 -22.610 -14.316 6.375 1.00 13.02 H new ATOM 0 HE2 HIS A 90 -20.892 -15.194 8.036 1.00 15.32 H new ATOM 1471 N THR A 91 -21.156 -19.556 2.328 1.00 64.05 N ATOM 1472 CA THR A 91 -21.415 -20.176 1.034 1.00 21.14 C ATOM 1473 C THR A 91 -22.564 -19.482 0.312 1.00 2.31 C ATOM 1474 O THR A 91 -23.588 -19.163 0.916 1.00 1.32 O ATOM 1475 CB THR A 91 -21.748 -21.672 1.186 1.00 73.44 C ATOM 1476 OG1 THR A 91 -20.623 -22.373 1.727 1.00 42.20 O ATOM 1477 CG2 THR A 91 -22.133 -22.279 -0.155 1.00 64.33 C ATOM 0 H THR A 91 -21.977 -19.470 2.927 1.00 64.05 H new ATOM 0 HA THR A 91 -20.504 -20.072 0.445 1.00 21.14 H new ATOM 0 HB THR A 91 -22.594 -21.766 1.866 1.00 73.44 H new ATOM 0 HG1 THR A 91 -20.686 -23.323 1.493 1.00 42.20 H new ATOM 0 HG21 THR A 91 -22.364 -23.336 -0.023 1.00 64.33 H new ATOM 0 HG22 THR A 91 -23.008 -21.763 -0.550 1.00 64.33 H new ATOM 0 HG23 THR A 91 -21.303 -22.173 -0.854 1.00 64.33 H new ATOM 1485 N VAL A 92 -22.388 -19.250 -0.985 1.00 64.40 N ATOM 1486 CA VAL A 92 -23.411 -18.595 -1.791 1.00 20.04 C ATOM 1487 C VAL A 92 -24.233 -19.615 -2.570 1.00 54.22 C ATOM 1488 O VAL A 92 -23.692 -20.394 -3.355 1.00 35.43 O ATOM 1489 CB VAL A 92 -22.789 -17.590 -2.778 1.00 74.05 C ATOM 1490 CG1 VAL A 92 -23.873 -16.914 -3.605 1.00 45.01 C ATOM 1491 CG2 VAL A 92 -21.954 -16.559 -2.034 1.00 61.43 C ATOM 0 H VAL A 92 -21.546 -19.506 -1.500 1.00 64.40 H new ATOM 0 HA VAL A 92 -24.063 -18.059 -1.101 1.00 20.04 H new ATOM 0 HB VAL A 92 -22.132 -18.133 -3.457 1.00 74.05 H new ATOM 0 HG11 VAL A 92 -23.415 -16.207 -4.297 1.00 45.01 H new ATOM 0 HG12 VAL A 92 -24.424 -17.667 -4.168 1.00 45.01 H new ATOM 0 HG13 VAL A 92 -24.557 -16.383 -2.943 1.00 45.01 H new ATOM 0 HG21 VAL A 92 -21.522 -15.857 -2.747 1.00 61.43 H new ATOM 0 HG22 VAL A 92 -22.586 -16.018 -1.330 1.00 61.43 H new ATOM 0 HG23 VAL A 92 -21.154 -17.062 -1.491 1.00 61.43 H new ATOM 1501 N ARG A 93 -25.544 -19.603 -2.349 1.00 62.33 N ATOM 1502 CA ARG A 93 -26.442 -20.528 -3.031 1.00 3.02 C ATOM 1503 C ARG A 93 -26.331 -20.377 -4.545 1.00 43.11 C ATOM 1504 O ARG A 93 -26.911 -19.465 -5.132 1.00 50.14 O ATOM 1505 CB ARG A 93 -27.886 -20.289 -2.588 1.00 54.02 C ATOM 1506 CG ARG A 93 -28.276 -21.061 -1.339 1.00 32.45 C ATOM 1507 CD ARG A 93 -28.748 -22.467 -1.677 1.00 13.21 C ATOM 1508 NE ARG A 93 -27.633 -23.365 -1.961 1.00 64.25 N ATOM 1509 CZ ARG A 93 -27.758 -24.501 -2.639 1.00 41.34 C ATOM 1510 NH1 ARG A 93 -28.944 -24.874 -3.100 1.00 62.21 N ATOM 1511 NH2 ARG A 93 -26.696 -25.265 -2.858 1.00 45.11 N ATOM 0 H ARG A 93 -26.008 -18.963 -1.704 1.00 62.33 H new ATOM 0 HA ARG A 93 -26.150 -21.543 -2.763 1.00 3.02 H new ATOM 0 HB2 ARG A 93 -28.030 -19.224 -2.406 1.00 54.02 H new ATOM 0 HB3 ARG A 93 -28.557 -20.567 -3.401 1.00 54.02 H new ATOM 0 HG2 ARG A 93 -27.423 -21.115 -0.662 1.00 32.45 H new ATOM 0 HG3 ARG A 93 -29.067 -20.527 -0.812 1.00 32.45 H new ATOM 0 HD2 ARG A 93 -29.330 -22.864 -0.845 1.00 13.21 H new ATOM 0 HD3 ARG A 93 -29.412 -22.429 -2.541 1.00 13.21 H new ATOM 0 HE ARG A 93 -26.707 -23.106 -1.620 1.00 64.25 H new ATOM 0 HH11 ARG A 93 -29.763 -24.289 -2.934 1.00 62.21 H new ATOM 0 HH12 ARG A 93 -29.038 -25.746 -3.620 1.00 62.21 H new ATOM 0 HH21 ARG A 93 -25.782 -24.981 -2.506 1.00 45.11 H new ATOM 0 HH22 ARG A 93 -26.793 -26.137 -3.379 1.00 45.11 H new ATOM 1525 N GLY A 94 -25.580 -21.278 -5.171 1.00 70.24 N ATOM 1526 CA GLY A 94 -25.406 -21.227 -6.611 1.00 61.12 C ATOM 1527 C GLY A 94 -24.026 -20.744 -7.012 1.00 30.14 C ATOM 1528 O GLY A 94 -23.867 -20.074 -8.032 1.00 34.15 O ATOM 0 H GLY A 94 -25.089 -22.042 -4.707 1.00 70.24 H new ATOM 0 HA2 GLY A 94 -25.576 -22.219 -7.030 1.00 61.12 H new ATOM 0 HA3 GLY A 94 -26.158 -20.566 -7.042 1.00 61.12 H new ATOM 1532 N ALA A 95 -23.025 -21.083 -6.206 1.00 32.43 N ATOM 1533 CA ALA A 95 -21.652 -20.680 -6.482 1.00 21.13 C ATOM 1534 C ALA A 95 -20.666 -21.765 -6.060 1.00 51.53 C ATOM 1535 O ALA A 95 -20.112 -22.473 -6.899 1.00 64.13 O ATOM 1536 CB ALA A 95 -21.334 -19.371 -5.774 1.00 61.22 C ATOM 0 H ALA A 95 -23.140 -21.636 -5.357 1.00 32.43 H new ATOM 0 HA ALA A 95 -21.552 -20.533 -7.557 1.00 21.13 H new ATOM 0 HB1 ALA A 95 -20.305 -19.082 -5.989 1.00 61.22 H new ATOM 0 HB2 ALA A 95 -22.011 -18.593 -6.127 1.00 61.22 H new ATOM 0 HB3 ALA A 95 -21.458 -19.500 -4.699 1.00 61.22 H new ATOM 1542 N GLY A 96 -20.452 -21.888 -4.754 1.00 3.12 N ATOM 1543 CA GLY A 96 -19.532 -22.888 -4.244 1.00 44.23 C ATOM 1544 C GLY A 96 -19.206 -22.683 -2.778 1.00 41.51 C ATOM 1545 O GLY A 96 -19.970 -23.089 -1.902 1.00 52.25 O ATOM 0 H GLY A 96 -20.899 -21.313 -4.040 1.00 3.12 H new ATOM 0 HA2 GLY A 96 -19.965 -23.879 -4.381 1.00 44.23 H new ATOM 0 HA3 GLY A 96 -18.610 -22.859 -4.825 1.00 44.23 H new ATOM 1549 N TYR A 97 -18.068 -22.052 -2.509 1.00 72.03 N ATOM 1550 CA TYR A 97 -17.641 -21.797 -1.139 1.00 21.43 C ATOM 1551 C TYR A 97 -16.676 -20.617 -1.079 1.00 54.32 C ATOM 1552 O TYR A 97 -15.829 -20.447 -1.956 1.00 20.20 O ATOM 1553 CB TYR A 97 -16.977 -23.043 -0.550 1.00 3.15 C ATOM 1554 CG TYR A 97 -17.828 -23.755 0.477 1.00 12.12 C ATOM 1555 CD1 TYR A 97 -18.716 -24.755 0.099 1.00 23.11 C ATOM 1556 CD2 TYR A 97 -17.746 -23.427 1.825 1.00 72.12 C ATOM 1557 CE1 TYR A 97 -19.496 -25.408 1.033 1.00 13.15 C ATOM 1558 CE2 TYR A 97 -18.522 -24.076 2.766 1.00 3.31 C ATOM 1559 CZ TYR A 97 -19.395 -25.065 2.366 1.00 73.13 C ATOM 1560 OH TYR A 97 -20.171 -25.712 3.300 1.00 23.42 O ATOM 0 H TYR A 97 -17.425 -21.708 -3.222 1.00 72.03 H new ATOM 0 HA TYR A 97 -18.524 -21.550 -0.550 1.00 21.43 H new ATOM 0 HB2 TYR A 97 -16.742 -23.736 -1.358 1.00 3.15 H new ATOM 0 HB3 TYR A 97 -16.031 -22.757 -0.090 1.00 3.15 H new ATOM 0 HD1 TYR A 97 -18.797 -25.026 -0.943 1.00 23.11 H new ATOM 0 HD2 TYR A 97 -17.064 -22.652 2.142 1.00 72.12 H new ATOM 0 HE1 TYR A 97 -20.181 -26.183 0.722 1.00 13.15 H new ATOM 0 HE2 TYR A 97 -18.445 -23.810 3.810 1.00 3.31 H new ATOM 0 HH TYR A 97 -19.659 -26.446 3.699 1.00 23.42 H new ATOM 1570 N VAL A 98 -16.812 -19.802 -0.037 1.00 62.43 N ATOM 1571 CA VAL A 98 -15.952 -18.638 0.140 1.00 54.14 C ATOM 1572 C VAL A 98 -15.709 -18.354 1.618 1.00 70.14 C ATOM 1573 O VAL A 98 -16.488 -18.768 2.477 1.00 30.22 O ATOM 1574 CB VAL A 98 -16.561 -17.386 -0.519 1.00 13.31 C ATOM 1575 CG1 VAL A 98 -17.774 -16.907 0.264 1.00 12.32 C ATOM 1576 CG2 VAL A 98 -15.519 -16.283 -0.631 1.00 33.21 C ATOM 0 H VAL A 98 -17.509 -19.927 0.697 1.00 62.43 H new ATOM 0 HA VAL A 98 -15.003 -18.869 -0.343 1.00 54.14 H new ATOM 0 HB VAL A 98 -16.888 -17.649 -1.525 1.00 13.31 H new ATOM 0 HG11 VAL A 98 -18.191 -16.022 -0.216 1.00 12.32 H new ATOM 0 HG12 VAL A 98 -18.526 -17.695 0.288 1.00 12.32 H new ATOM 0 HG13 VAL A 98 -17.475 -16.660 1.283 1.00 12.32 H new ATOM 0 HG21 VAL A 98 -15.966 -15.406 -1.099 1.00 33.21 H new ATOM 0 HG22 VAL A 98 -15.159 -16.020 0.364 1.00 33.21 H new ATOM 0 HG23 VAL A 98 -14.684 -16.632 -1.238 1.00 33.21 H new ATOM 1586 N LEU A 99 -14.624 -17.645 1.907 1.00 3.01 N ATOM 1587 CA LEU A 99 -14.277 -17.304 3.282 1.00 22.25 C ATOM 1588 C LEU A 99 -14.344 -15.796 3.503 1.00 32.45 C ATOM 1589 O LEU A 99 -13.838 -15.018 2.696 1.00 62.42 O ATOM 1590 CB LEU A 99 -12.876 -17.818 3.618 1.00 23.12 C ATOM 1591 CG LEU A 99 -11.713 -16.909 3.217 1.00 33.20 C ATOM 1592 CD1 LEU A 99 -10.401 -17.446 3.768 1.00 14.32 C ATOM 1593 CD2 LEU A 99 -11.642 -16.772 1.703 1.00 5.02 C ATOM 0 H LEU A 99 -13.969 -17.295 1.208 1.00 3.01 H new ATOM 0 HA LEU A 99 -15.001 -17.782 3.942 1.00 22.25 H new ATOM 0 HB2 LEU A 99 -12.822 -17.990 4.693 1.00 23.12 H new ATOM 0 HB3 LEU A 99 -12.739 -18.785 3.133 1.00 23.12 H new ATOM 0 HG LEU A 99 -11.885 -15.921 3.644 1.00 33.20 H new ATOM 0 HD11 LEU A 99 -9.585 -16.786 3.473 1.00 14.32 H new ATOM 0 HD12 LEU A 99 -10.455 -17.492 4.856 1.00 14.32 H new ATOM 0 HD13 LEU A 99 -10.222 -18.445 3.371 1.00 14.32 H new ATOM 0 HD21 LEU A 99 -10.809 -16.122 1.435 1.00 5.02 H new ATOM 0 HD22 LEU A 99 -11.494 -17.755 1.255 1.00 5.02 H new ATOM 0 HD23 LEU A 99 -12.572 -16.341 1.333 1.00 5.02 H new ATOM 1605 N GLU A 100 -14.971 -15.392 4.604 1.00 72.22 N ATOM 1606 CA GLU A 100 -15.103 -13.977 4.931 1.00 21.30 C ATOM 1607 C GLU A 100 -15.758 -13.793 6.297 1.00 22.40 C ATOM 1608 O GLU A 100 -16.549 -14.629 6.735 1.00 52.00 O ATOM 1609 CB GLU A 100 -15.923 -13.257 3.859 1.00 74.32 C ATOM 1610 CG GLU A 100 -15.538 -11.799 3.675 1.00 55.01 C ATOM 1611 CD GLU A 100 -16.357 -10.865 4.545 1.00 31.44 C ATOM 1612 OE1 GLU A 100 -17.602 -10.921 4.466 1.00 13.31 O ATOM 1613 OE2 GLU A 100 -15.753 -10.080 5.305 1.00 12.22 O ATOM 0 H GLU A 100 -15.395 -16.024 5.283 1.00 72.22 H new ATOM 0 HA GLU A 100 -14.103 -13.544 4.965 1.00 21.30 H new ATOM 0 HB2 GLU A 100 -15.802 -13.779 2.910 1.00 74.32 H new ATOM 0 HB3 GLU A 100 -16.979 -13.315 4.122 1.00 74.32 H new ATOM 0 HG2 GLU A 100 -14.481 -11.674 3.909 1.00 55.01 H new ATOM 0 HG3 GLU A 100 -15.668 -11.522 2.629 1.00 55.01 H new ATOM 1620 N ILE A 101 -15.422 -12.695 6.965 1.00 44.14 N ATOM 1621 CA ILE A 101 -15.977 -12.401 8.280 1.00 42.01 C ATOM 1622 C ILE A 101 -17.263 -11.590 8.165 1.00 73.51 C ATOM 1623 O ILE A 101 -17.579 -11.055 7.102 1.00 21.31 O ATOM 1624 CB ILE A 101 -14.973 -11.628 9.155 1.00 44.31 C ATOM 1625 CG1 ILE A 101 -14.545 -10.335 8.457 1.00 2.22 C ATOM 1626 CG2 ILE A 101 -13.761 -12.495 9.464 1.00 74.03 C ATOM 1627 CD1 ILE A 101 -14.106 -9.249 9.414 1.00 0.40 C ATOM 0 H ILE A 101 -14.768 -11.994 6.617 1.00 44.14 H new ATOM 0 HA ILE A 101 -16.195 -13.359 8.752 1.00 42.01 H new ATOM 0 HB ILE A 101 -15.459 -11.368 10.096 1.00 44.31 H new ATOM 0 HG12 ILE A 101 -13.727 -10.556 7.771 1.00 2.22 H new ATOM 0 HG13 ILE A 101 -15.375 -9.964 7.855 1.00 2.22 H new ATOM 0 HG21 ILE A 101 -13.061 -11.934 10.083 1.00 74.03 H new ATOM 0 HG22 ILE A 101 -14.081 -13.390 9.997 1.00 74.03 H new ATOM 0 HG23 ILE A 101 -13.272 -12.782 8.533 1.00 74.03 H new ATOM 0 HD11 ILE A 101 -13.817 -8.362 8.850 1.00 0.40 H new ATOM 0 HD12 ILE A 101 -14.929 -9.000 10.084 1.00 0.40 H new ATOM 0 HD13 ILE A 101 -13.256 -9.601 9.998 1.00 0.40 H new ATOM 1639 N ARG A 102 -18.001 -11.503 9.267 1.00 55.14 N ATOM 1640 CA ARG A 102 -19.254 -10.757 9.290 1.00 42.22 C ATOM 1641 C ARG A 102 -19.043 -9.359 9.865 1.00 73.14 C ATOM 1642 O ARG A 102 -19.749 -8.417 9.505 1.00 62.45 O ATOM 1643 CB ARG A 102 -20.303 -11.506 10.113 1.00 12.23 C ATOM 1644 CG ARG A 102 -21.072 -12.547 9.317 1.00 34.32 C ATOM 1645 CD ARG A 102 -21.968 -11.900 8.273 1.00 74.23 C ATOM 1646 NE ARG A 102 -22.829 -10.872 8.851 1.00 3.41 N ATOM 1647 CZ ARG A 102 -23.878 -11.139 9.621 1.00 4.52 C ATOM 1648 NH1 ARG A 102 -24.194 -12.395 9.904 1.00 0.41 N ATOM 1649 NH2 ARG A 102 -24.612 -10.148 10.110 1.00 14.24 N ATOM 0 H ARG A 102 -17.753 -11.939 10.155 1.00 55.14 H new ATOM 0 HA ARG A 102 -19.609 -10.660 8.264 1.00 42.22 H new ATOM 0 HB2 ARG A 102 -19.811 -11.994 10.954 1.00 12.23 H new ATOM 0 HB3 ARG A 102 -21.008 -10.786 10.530 1.00 12.23 H new ATOM 0 HG2 ARG A 102 -20.371 -13.223 8.828 1.00 34.32 H new ATOM 0 HG3 ARG A 102 -21.677 -13.150 9.994 1.00 34.32 H new ATOM 0 HD2 ARG A 102 -21.352 -11.458 7.490 1.00 74.23 H new ATOM 0 HD3 ARG A 102 -22.584 -12.665 7.800 1.00 74.23 H new ATOM 0 HE ARG A 102 -22.613 -9.895 8.653 1.00 3.41 H new ATOM 0 HH11 ARG A 102 -23.631 -13.159 9.530 1.00 0.41 H new ATOM 0 HH12 ARG A 102 -25.000 -12.597 10.496 1.00 0.41 H new ATOM 0 HH21 ARG A 102 -24.371 -9.181 9.895 1.00 14.24 H new ATOM 0 HH22 ARG A 102 -25.417 -10.354 10.701 1.00 14.24 H new ATOM 1663 N GLU A 103 -18.069 -9.233 10.760 1.00 63.41 N ATOM 1664 CA GLU A 103 -17.767 -7.951 11.385 1.00 52.01 C ATOM 1665 C GLU A 103 -17.400 -6.907 10.335 1.00 41.25 C ATOM 1666 O GLU A 103 -17.583 -5.709 10.546 1.00 41.51 O ATOM 1667 CB GLU A 103 -16.623 -8.104 12.389 1.00 31.43 C ATOM 1668 CG GLU A 103 -16.183 -6.792 13.015 1.00 5.12 C ATOM 1669 CD GLU A 103 -17.303 -6.099 13.767 1.00 44.14 C ATOM 1670 OE1 GLU A 103 -18.158 -6.806 14.339 1.00 31.04 O ATOM 1671 OE2 GLU A 103 -17.324 -4.851 13.782 1.00 51.43 O ATOM 0 H GLU A 103 -17.475 -10.003 11.069 1.00 63.41 H new ATOM 0 HA GLU A 103 -18.660 -7.614 11.912 1.00 52.01 H new ATOM 0 HB2 GLU A 103 -16.933 -8.788 13.179 1.00 31.43 H new ATOM 0 HB3 GLU A 103 -15.770 -8.562 11.888 1.00 31.43 H new ATOM 0 HG2 GLU A 103 -15.354 -6.980 13.697 1.00 5.12 H new ATOM 0 HG3 GLU A 103 -15.810 -6.129 12.235 1.00 5.12 H new ATOM 1678 N GLU A 104 -16.880 -7.372 9.203 1.00 52.23 N ATOM 1679 CA GLU A 104 -16.486 -6.478 8.120 1.00 22.01 C ATOM 1680 C GLU A 104 -17.664 -5.622 7.664 1.00 33.34 C ATOM 1681 O GLU A 104 -18.535 -6.089 6.931 1.00 13.30 O ATOM 1682 CB GLU A 104 -15.938 -7.282 6.939 1.00 74.10 C ATOM 1683 CG GLU A 104 -15.473 -6.419 5.778 1.00 12.34 C ATOM 1684 CD GLU A 104 -14.203 -5.653 6.093 1.00 24.32 C ATOM 1685 OE1 GLU A 104 -13.445 -6.102 6.979 1.00 0.53 O ATOM 1686 OE2 GLU A 104 -13.966 -4.607 5.455 1.00 41.15 O ATOM 0 H GLU A 104 -16.722 -8.361 9.012 1.00 52.23 H new ATOM 0 HA GLU A 104 -15.704 -5.818 8.495 1.00 22.01 H new ATOM 0 HB2 GLU A 104 -15.104 -7.894 7.283 1.00 74.10 H new ATOM 0 HB3 GLU A 104 -16.710 -7.965 6.586 1.00 74.10 H new ATOM 0 HG2 GLU A 104 -15.305 -7.050 4.905 1.00 12.34 H new ATOM 0 HG3 GLU A 104 -16.262 -5.715 5.515 1.00 12.34 H new