USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=19 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 -28:sc= 0.0389 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 11 MET CE :methyl 176:sc= 0 (180deg=-0.0124) 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 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0237) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc=-0.00182 X(o=-0.0018,f=-0.18) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 42 GLN : amide:sc= -0.0065 K(o=-0.0065,f=-1.6) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -40:sc= 0.844 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.3!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.8!) USER MOD Single : A 64 SER OG : rot 46:sc= 0.29 USER MOD Single : A 66 THR OG1 : rot -42:sc= 0.734 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -54:sc= 0.675 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.217 K(o=-0.22,f=-1.4) USER MOD Single : A 91 THR OG1 : rot -134:sc= 1.32 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.743 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 4 1.177 -8.314 0.448 1.00 0.23 N ATOM 39 CA THR A 4 1.583 -9.708 0.575 1.00 15.11 C ATOM 40 C THR A 4 1.123 -10.296 1.904 1.00 12.54 C ATOM 41 O THR A 4 1.735 -11.226 2.429 1.00 44.15 O ATOM 42 CB THR A 4 3.111 -9.861 0.460 1.00 31.13 C ATOM 43 OG1 THR A 4 3.757 -9.122 1.503 1.00 20.41 O ATOM 44 CG2 THR A 4 3.603 -9.373 -0.894 1.00 25.32 C ATOM 0 HA THR A 4 1.109 -10.251 -0.243 1.00 15.11 H new ATOM 0 HB THR A 4 3.357 -10.918 0.559 1.00 31.13 H new ATOM 0 HG1 THR A 4 3.190 -8.368 1.769 1.00 20.41 H new ATOM 0 HG21 THR A 4 4.685 -9.491 -0.952 1.00 25.32 H new ATOM 0 HG22 THR A 4 3.131 -9.957 -1.684 1.00 25.32 H new ATOM 0 HG23 THR A 4 3.346 -8.321 -1.017 1.00 25.32 H new ATOM 52 N VAL A 5 0.040 -9.747 2.446 1.00 75.14 N ATOM 53 CA VAL A 5 -0.504 -10.219 3.714 1.00 42.42 C ATOM 54 C VAL A 5 -1.885 -9.629 3.973 1.00 14.41 C ATOM 55 O VAL A 5 -2.059 -8.409 3.982 1.00 31.31 O ATOM 56 CB VAL A 5 0.424 -9.861 4.890 1.00 43.53 C ATOM 57 CG1 VAL A 5 0.682 -8.362 4.930 1.00 51.03 C ATOM 58 CG2 VAL A 5 -0.171 -10.343 6.204 1.00 53.31 C ATOM 0 H VAL A 5 -0.478 -8.975 2.026 1.00 75.14 H new ATOM 0 HA VAL A 5 -0.584 -11.304 3.640 1.00 42.42 H new ATOM 0 HB VAL A 5 1.379 -10.366 4.743 1.00 43.53 H new ATOM 0 HG11 VAL A 5 1.340 -8.128 5.767 1.00 51.03 H new ATOM 0 HG12 VAL A 5 1.155 -8.049 3.999 1.00 51.03 H new ATOM 0 HG13 VAL A 5 -0.263 -7.833 5.052 1.00 51.03 H new ATOM 0 HG21 VAL A 5 0.498 -10.082 7.024 1.00 53.31 H new ATOM 0 HG22 VAL A 5 -1.140 -9.868 6.361 1.00 53.31 H new ATOM 0 HG23 VAL A 5 -0.298 -11.425 6.171 1.00 53.31 H new ATOM 68 N CYS A 6 -2.865 -10.501 4.184 1.00 2.30 N ATOM 69 CA CYS A 6 -4.233 -10.066 4.444 1.00 62.24 C ATOM 70 C CYS A 6 -4.653 -10.414 5.868 1.00 62.30 C ATOM 71 O CYS A 6 -4.701 -11.586 6.245 1.00 44.24 O ATOM 72 CB CYS A 6 -5.193 -10.711 3.444 1.00 74.33 C ATOM 73 SG CYS A 6 -5.322 -9.831 1.870 1.00 44.33 S ATOM 0 H CYS A 6 -2.738 -11.513 4.180 1.00 2.30 H new ATOM 0 HA CYS A 6 -4.272 -8.983 4.328 1.00 62.24 H new ATOM 0 HB2 CYS A 6 -4.866 -11.733 3.251 1.00 74.33 H new ATOM 0 HB3 CYS A 6 -6.183 -10.773 3.895 1.00 74.33 H new ATOM 0 HG CYS A 6 -6.155 -10.455 1.091 1.00 44.33 H new ATOM 79 N THR A 7 -4.955 -9.388 6.658 1.00 73.52 N ATOM 80 CA THR A 7 -5.368 -9.585 8.042 1.00 73.15 C ATOM 81 C THR A 7 -6.880 -9.755 8.145 1.00 4.24 C ATOM 82 O THR A 7 -7.629 -9.253 7.307 1.00 1.20 O ATOM 83 CB THR A 7 -4.933 -8.405 8.931 1.00 53.13 C ATOM 84 OG1 THR A 7 -4.111 -7.504 8.181 1.00 51.30 O ATOM 85 CG2 THR A 7 -4.171 -8.899 10.151 1.00 12.10 C ATOM 0 H THR A 7 -4.921 -8.412 6.363 1.00 73.52 H new ATOM 0 HA THR A 7 -4.878 -10.494 8.392 1.00 73.15 H new ATOM 0 HB THR A 7 -5.829 -7.883 9.269 1.00 53.13 H new ATOM 0 HG1 THR A 7 -3.840 -6.756 8.753 1.00 51.30 H new ATOM 0 HG21 THR A 7 -3.874 -8.048 10.764 1.00 12.10 H new ATOM 0 HG22 THR A 7 -4.810 -9.562 10.735 1.00 12.10 H new ATOM 0 HG23 THR A 7 -3.282 -9.442 9.830 1.00 12.10 H new ATOM 93 N ILE A 8 -7.321 -10.464 9.179 1.00 60.25 N ATOM 94 CA ILE A 8 -8.744 -10.698 9.392 1.00 2.20 C ATOM 95 C ILE A 8 -9.161 -10.298 10.803 1.00 22.44 C ATOM 96 O ILE A 8 -8.384 -9.696 11.544 1.00 52.11 O ATOM 97 CB ILE A 8 -9.113 -12.175 9.158 1.00 11.33 C ATOM 98 CG1 ILE A 8 -7.849 -13.014 8.960 1.00 11.13 C ATOM 99 CG2 ILE A 8 -10.036 -12.306 7.956 1.00 13.12 C ATOM 100 CD1 ILE A 8 -7.225 -12.853 7.592 1.00 73.13 C ATOM 0 H ILE A 8 -6.714 -10.886 9.882 1.00 60.25 H new ATOM 0 HA ILE A 8 -9.277 -10.081 8.669 1.00 2.20 H new ATOM 0 HB ILE A 8 -9.639 -12.547 10.037 1.00 11.33 H new ATOM 0 HG12 ILE A 8 -7.117 -12.738 9.719 1.00 11.13 H new ATOM 0 HG13 ILE A 8 -8.092 -14.065 9.118 1.00 11.13 H new ATOM 0 HG21 ILE A 8 -10.288 -13.355 7.803 1.00 13.12 H new ATOM 0 HG22 ILE A 8 -10.948 -11.736 8.134 1.00 13.12 H new ATOM 0 HG23 ILE A 8 -9.534 -11.920 7.068 1.00 13.12 H new ATOM 0 HD11 ILE A 8 -6.334 -13.477 7.523 1.00 73.13 H new ATOM 0 HD12 ILE A 8 -7.940 -13.157 6.828 1.00 73.13 H new ATOM 0 HD13 ILE A 8 -6.951 -11.809 7.438 1.00 73.13 H new ATOM 112 N ALA A 9 -10.392 -10.640 11.170 1.00 62.02 N ATOM 113 CA ALA A 9 -10.911 -10.321 12.494 1.00 50.32 C ATOM 114 C ALA A 9 -9.888 -10.645 13.577 1.00 34.35 C ATOM 115 O ALA A 9 -9.613 -9.822 14.451 1.00 63.43 O ATOM 116 CB ALA A 9 -12.209 -11.073 12.747 1.00 23.55 C ATOM 0 H ALA A 9 -11.048 -11.138 10.569 1.00 62.02 H new ATOM 0 HA ALA A 9 -11.112 -9.250 12.531 1.00 50.32 H new ATOM 0 HB1 ALA A 9 -12.585 -10.825 13.740 1.00 23.55 H new ATOM 0 HB2 ALA A 9 -12.947 -10.788 11.997 1.00 23.55 H new ATOM 0 HB3 ALA A 9 -12.026 -12.146 12.686 1.00 23.55 H new ATOM 122 N ASP A 10 -9.330 -11.849 13.516 1.00 61.03 N ATOM 123 CA ASP A 10 -8.337 -12.282 14.492 1.00 31.30 C ATOM 124 C ASP A 10 -7.422 -13.349 13.900 1.00 61.44 C ATOM 125 O ASP A 10 -7.337 -14.464 14.415 1.00 52.33 O ATOM 126 CB ASP A 10 -9.026 -12.823 15.746 1.00 1.42 C ATOM 127 CG ASP A 10 -10.043 -11.851 16.312 1.00 31.20 C ATOM 128 OD1 ASP A 10 -9.650 -10.984 17.120 1.00 11.14 O ATOM 129 OD2 ASP A 10 -11.232 -11.958 15.946 1.00 50.31 O ATOM 0 H ASP A 10 -9.549 -12.543 12.801 1.00 61.03 H new ATOM 0 HA ASP A 10 -7.730 -11.418 14.763 1.00 31.30 H new ATOM 0 HB2 ASP A 10 -9.521 -13.765 15.508 1.00 1.42 H new ATOM 0 HB3 ASP A 10 -8.274 -13.041 16.505 1.00 1.42 H new ATOM 134 N MET A 11 -6.740 -13.000 12.814 1.00 61.23 N ATOM 135 CA MET A 11 -5.831 -13.928 12.151 1.00 21.53 C ATOM 136 C MET A 11 -4.984 -13.208 11.107 1.00 72.12 C ATOM 137 O MET A 11 -5.226 -12.042 10.793 1.00 60.24 O ATOM 138 CB MET A 11 -6.617 -15.063 11.493 1.00 75.42 C ATOM 139 CG MET A 11 -5.867 -16.385 11.462 1.00 30.03 C ATOM 140 SD MET A 11 -6.962 -17.801 11.242 1.00 41.52 S ATOM 141 CE MET A 11 -7.599 -17.483 9.598 1.00 22.11 C ATOM 0 H MET A 11 -6.800 -12.081 12.374 1.00 61.23 H new ATOM 0 HA MET A 11 -5.166 -14.347 12.906 1.00 21.53 H new ATOM 0 HB2 MET A 11 -7.557 -15.201 12.028 1.00 75.42 H new ATOM 0 HB3 MET A 11 -6.870 -14.775 10.473 1.00 75.42 H new ATOM 0 HG2 MET A 11 -5.138 -16.365 10.652 1.00 30.03 H new ATOM 0 HG3 MET A 11 -5.309 -16.503 12.391 1.00 30.03 H new ATOM 0 HE1 MET A 11 -8.238 -18.310 9.289 1.00 22.11 H new ATOM 0 HE2 MET A 11 -8.178 -16.560 9.605 1.00 22.11 H new ATOM 0 HE3 MET A 11 -6.769 -17.385 8.899 1.00 22.11 H new ATOM 151 N THR A 12 -3.990 -13.909 10.571 1.00 23.43 N ATOM 152 CA THR A 12 -3.106 -13.336 9.564 1.00 75.44 C ATOM 153 C THR A 12 -2.873 -14.314 8.417 1.00 2.24 C ATOM 154 O THR A 12 -2.136 -15.289 8.561 1.00 63.44 O ATOM 155 CB THR A 12 -1.747 -12.938 10.169 1.00 71.21 C ATOM 156 OG1 THR A 12 -1.936 -12.381 11.474 1.00 35.34 O ATOM 157 CG2 THR A 12 -1.034 -11.930 9.281 1.00 64.24 C ATOM 0 H THR A 12 -3.777 -14.875 10.818 1.00 23.43 H new ATOM 0 HA THR A 12 -3.600 -12.442 9.182 1.00 75.44 H new ATOM 0 HB THR A 12 -1.131 -13.834 10.243 1.00 71.21 H new ATOM 0 HG1 THR A 12 -1.067 -12.132 11.852 1.00 35.34 H new ATOM 0 HG21 THR A 12 -0.077 -11.664 9.729 1.00 64.24 H new ATOM 0 HG22 THR A 12 -0.865 -12.367 8.297 1.00 64.24 H new ATOM 0 HG23 THR A 12 -1.648 -11.035 9.180 1.00 64.24 H new ATOM 165 N VAL A 13 -3.505 -14.046 7.279 1.00 3.20 N ATOM 166 CA VAL A 13 -3.364 -14.901 6.107 1.00 61.32 C ATOM 167 C VAL A 13 -2.245 -14.407 5.197 1.00 23.21 C ATOM 168 O VAL A 13 -2.141 -13.213 4.916 1.00 61.10 O ATOM 169 CB VAL A 13 -4.674 -14.968 5.300 1.00 34.32 C ATOM 170 CG1 VAL A 13 -4.495 -15.831 4.060 1.00 2.22 C ATOM 171 CG2 VAL A 13 -5.807 -15.496 6.168 1.00 60.34 C ATOM 0 H VAL A 13 -4.120 -13.243 7.144 1.00 3.20 H new ATOM 0 HA VAL A 13 -3.119 -15.899 6.471 1.00 61.32 H new ATOM 0 HB VAL A 13 -4.933 -13.960 4.977 1.00 34.32 H new ATOM 0 HG11 VAL A 13 -5.431 -15.866 3.503 1.00 2.22 H new ATOM 0 HG12 VAL A 13 -3.714 -15.405 3.430 1.00 2.22 H new ATOM 0 HG13 VAL A 13 -4.212 -16.841 4.357 1.00 2.22 H new ATOM 0 HG21 VAL A 13 -6.725 -15.537 5.582 1.00 60.34 H new ATOM 0 HG22 VAL A 13 -5.558 -16.496 6.523 1.00 60.34 H new ATOM 0 HG23 VAL A 13 -5.950 -14.834 7.022 1.00 60.34 H new ATOM 181 N ASP A 14 -1.410 -15.333 4.740 1.00 65.34 N ATOM 182 CA ASP A 14 -0.298 -14.993 3.860 1.00 42.45 C ATOM 183 C ASP A 14 -0.574 -15.453 2.432 1.00 60.43 C ATOM 184 O ASP A 14 -0.775 -16.641 2.181 1.00 73.14 O ATOM 185 CB ASP A 14 0.998 -15.625 4.371 1.00 53.30 C ATOM 186 CG ASP A 14 2.060 -14.591 4.690 1.00 14.12 C ATOM 187 OD1 ASP A 14 2.499 -13.884 3.759 1.00 40.01 O ATOM 188 OD2 ASP A 14 2.451 -14.488 5.872 1.00 53.05 O ATOM 0 H ASP A 14 -1.482 -16.325 4.964 1.00 65.34 H new ATOM 0 HA ASP A 14 -0.188 -13.909 3.858 1.00 42.45 H new ATOM 0 HB2 ASP A 14 0.785 -16.211 5.265 1.00 53.30 H new ATOM 0 HB3 ASP A 14 1.382 -16.316 3.621 1.00 53.30 H new ATOM 193 N MET A 15 -0.583 -14.505 1.501 1.00 60.14 N ATOM 194 CA MET A 15 -0.835 -14.814 0.098 1.00 64.31 C ATOM 195 C MET A 15 0.444 -15.274 -0.595 1.00 70.42 C ATOM 196 O MET A 15 0.403 -15.812 -1.702 1.00 41.20 O ATOM 197 CB MET A 15 -1.407 -13.591 -0.621 1.00 62.34 C ATOM 198 CG MET A 15 -0.373 -12.514 -0.905 1.00 4.12 C ATOM 199 SD MET A 15 -1.068 -11.094 -1.772 1.00 72.52 S ATOM 200 CE MET A 15 -0.126 -11.133 -3.295 1.00 22.11 C ATOM 0 H MET A 15 -0.419 -13.517 1.692 1.00 60.14 H new ATOM 0 HA MET A 15 -1.563 -15.625 0.055 1.00 64.31 H new ATOM 0 HB2 MET A 15 -1.855 -13.910 -1.562 1.00 62.34 H new ATOM 0 HB3 MET A 15 -2.207 -13.165 -0.015 1.00 62.34 H new ATOM 0 HG2 MET A 15 0.067 -12.181 0.035 1.00 4.12 H new ATOM 0 HG3 MET A 15 0.434 -12.939 -1.501 1.00 4.12 H new ATOM 0 HE1 MET A 15 -0.442 -10.313 -3.939 1.00 22.11 H new ATOM 0 HE2 MET A 15 0.935 -11.029 -3.069 1.00 22.11 H new ATOM 0 HE3 MET A 15 -0.297 -12.081 -3.805 1.00 22.11 H new ATOM 210 N VAL A 16 1.579 -15.060 0.063 1.00 52.42 N ATOM 211 CA VAL A 16 2.869 -15.453 -0.490 1.00 44.00 C ATOM 212 C VAL A 16 3.403 -16.705 0.197 1.00 75.45 C ATOM 213 O VAL A 16 4.125 -17.498 -0.409 1.00 11.43 O ATOM 214 CB VAL A 16 3.907 -14.323 -0.351 1.00 62.42 C ATOM 215 CG1 VAL A 16 3.591 -13.186 -1.311 1.00 31.51 C ATOM 216 CG2 VAL A 16 3.959 -13.822 1.084 1.00 44.30 C ATOM 0 H VAL A 16 1.631 -14.616 0.980 1.00 52.42 H new ATOM 0 HA VAL A 16 2.709 -15.662 -1.548 1.00 44.00 H new ATOM 0 HB VAL A 16 4.889 -14.721 -0.609 1.00 62.42 H new ATOM 0 HG11 VAL A 16 4.335 -12.397 -1.198 1.00 31.51 H new ATOM 0 HG12 VAL A 16 3.610 -13.559 -2.335 1.00 31.51 H new ATOM 0 HG13 VAL A 16 2.602 -12.786 -1.088 1.00 31.51 H new ATOM 0 HG21 VAL A 16 4.697 -13.024 1.164 1.00 44.30 H new ATOM 0 HG22 VAL A 16 2.979 -13.440 1.372 1.00 44.30 H new ATOM 0 HG23 VAL A 16 4.238 -14.642 1.746 1.00 44.30 H new ATOM 226 N ARG A 17 3.041 -16.878 1.464 1.00 61.23 N ATOM 227 CA ARG A 17 3.484 -18.034 2.234 1.00 72.44 C ATOM 228 C ARG A 17 2.362 -19.061 2.367 1.00 43.52 C ATOM 229 O ARG A 17 2.606 -20.222 2.696 1.00 52.35 O ATOM 230 CB ARG A 17 3.958 -17.599 3.621 1.00 4.31 C ATOM 231 CG ARG A 17 5.165 -16.675 3.590 1.00 64.42 C ATOM 232 CD ARG A 17 5.603 -16.283 4.992 1.00 13.52 C ATOM 233 NE ARG A 17 6.364 -17.344 5.646 1.00 74.02 N ATOM 234 CZ ARG A 17 6.707 -17.319 6.929 1.00 74.21 C ATOM 235 NH1 ARG A 17 6.358 -16.293 7.692 1.00 12.30 N ATOM 236 NH2 ARG A 17 7.399 -18.323 7.451 1.00 25.22 N ATOM 0 H ARG A 17 2.442 -16.232 1.979 1.00 61.23 H new ATOM 0 HA ARG A 17 4.316 -18.496 1.702 1.00 72.44 H new ATOM 0 HB2 ARG A 17 3.139 -17.096 4.134 1.00 4.31 H new ATOM 0 HB3 ARG A 17 4.204 -18.485 4.206 1.00 4.31 H new ATOM 0 HG2 ARG A 17 5.989 -17.169 3.075 1.00 64.42 H new ATOM 0 HG3 ARG A 17 4.924 -15.778 3.019 1.00 64.42 H new ATOM 0 HD2 ARG A 17 6.211 -15.379 4.942 1.00 13.52 H new ATOM 0 HD3 ARG A 17 4.725 -16.044 5.592 1.00 13.52 H new ATOM 0 HE ARG A 17 6.648 -18.149 5.087 1.00 74.02 H new ATOM 0 HH11 ARG A 17 5.825 -15.520 7.294 1.00 12.30 H new ATOM 0 HH12 ARG A 17 6.623 -16.277 8.677 1.00 12.30 H new ATOM 0 HH21 ARG A 17 7.668 -19.115 6.867 1.00 25.22 H new ATOM 0 HH22 ARG A 17 7.662 -18.303 8.436 1.00 25.22 H new ATOM 250 N ARG A 18 1.134 -18.623 2.110 1.00 72.50 N ATOM 251 CA ARG A 18 -0.025 -19.503 2.203 1.00 71.21 C ATOM 252 C ARG A 18 -0.147 -20.096 3.604 1.00 64.13 C ATOM 253 O ARG A 18 -0.163 -21.316 3.775 1.00 44.42 O ATOM 254 CB ARG A 18 0.076 -20.626 1.169 1.00 22.21 C ATOM 255 CG ARG A 18 -0.323 -20.200 -0.234 1.00 61.12 C ATOM 256 CD ARG A 18 0.785 -19.410 -0.913 1.00 0.34 C ATOM 257 NE ARG A 18 0.658 -19.427 -2.367 1.00 54.34 N ATOM 258 CZ ARG A 18 1.629 -19.056 -3.195 1.00 32.45 C ATOM 259 NH1 ARG A 18 2.793 -18.643 -2.713 1.00 13.13 N ATOM 260 NH2 ARG A 18 1.437 -19.100 -4.507 1.00 12.12 N ATOM 0 H ARG A 18 0.916 -17.665 1.836 1.00 72.50 H new ATOM 0 HA ARG A 18 -0.917 -18.910 1.999 1.00 71.21 H new ATOM 0 HB2 ARG A 18 1.100 -20.999 1.149 1.00 22.21 H new ATOM 0 HB3 ARG A 18 -0.559 -21.455 1.482 1.00 22.21 H new ATOM 0 HG2 ARG A 18 -0.560 -21.082 -0.829 1.00 61.12 H new ATOM 0 HG3 ARG A 18 -1.228 -19.594 -0.188 1.00 61.12 H new ATOM 0 HD2 ARG A 18 0.764 -18.379 -0.559 1.00 0.34 H new ATOM 0 HD3 ARG A 18 1.752 -19.825 -0.629 1.00 0.34 H new ATOM 0 HE ARG A 18 -0.225 -19.741 -2.770 1.00 54.34 H new ATOM 0 HH11 ARG A 18 2.945 -18.610 -1.705 1.00 13.13 H new ATOM 0 HH12 ARG A 18 3.537 -18.359 -3.350 1.00 13.13 H new ATOM 0 HH21 ARG A 18 0.543 -19.419 -4.881 1.00 12.12 H new ATOM 0 HH22 ARG A 18 2.183 -18.815 -5.141 1.00 12.12 H new ATOM 274 N THR A 19 -0.231 -19.225 4.604 1.00 15.13 N ATOM 275 CA THR A 19 -0.350 -19.661 5.990 1.00 64.42 C ATOM 276 C THR A 19 -1.407 -18.853 6.733 1.00 52.04 C ATOM 277 O THR A 19 -1.955 -17.889 6.198 1.00 1.31 O ATOM 278 CB THR A 19 0.993 -19.536 6.735 1.00 72.34 C ATOM 279 OG1 THR A 19 1.244 -18.166 7.064 1.00 4.32 O ATOM 280 CG2 THR A 19 2.134 -20.077 5.887 1.00 24.10 C ATOM 0 H THR A 19 -0.219 -18.213 4.480 1.00 15.13 H new ATOM 0 HA THR A 19 -0.649 -20.709 5.967 1.00 64.42 H new ATOM 0 HB THR A 19 0.932 -20.124 7.651 1.00 72.34 H new ATOM 0 HG1 THR A 19 2.098 -18.095 7.539 1.00 4.32 H new ATOM 0 HG21 THR A 19 3.072 -19.978 6.433 1.00 24.10 H new ATOM 0 HG22 THR A 19 1.954 -21.128 5.663 1.00 24.10 H new ATOM 0 HG23 THR A 19 2.195 -19.513 4.956 1.00 24.10 H new ATOM 288 N VAL A 20 -1.690 -19.252 7.969 1.00 41.51 N ATOM 289 CA VAL A 20 -2.681 -18.562 8.786 1.00 32.43 C ATOM 290 C VAL A 20 -2.234 -18.482 10.241 1.00 5.24 C ATOM 291 O VAL A 20 -2.123 -19.500 10.925 1.00 73.33 O ATOM 292 CB VAL A 20 -4.050 -19.265 8.720 1.00 31.30 C ATOM 293 CG1 VAL A 20 -4.769 -18.914 7.426 1.00 24.51 C ATOM 294 CG2 VAL A 20 -3.882 -20.771 8.855 1.00 73.21 C ATOM 0 H VAL A 20 -1.247 -20.049 8.426 1.00 41.51 H new ATOM 0 HA VAL A 20 -2.778 -17.554 8.382 1.00 32.43 H new ATOM 0 HB VAL A 20 -4.660 -18.914 9.553 1.00 31.30 H new ATOM 0 HG11 VAL A 20 -5.734 -19.420 7.397 1.00 24.51 H new ATOM 0 HG12 VAL A 20 -4.923 -17.836 7.376 1.00 24.51 H new ATOM 0 HG13 VAL A 20 -4.166 -19.234 6.576 1.00 24.51 H new ATOM 0 HG21 VAL A 20 -4.859 -21.252 8.806 1.00 73.21 H new ATOM 0 HG22 VAL A 20 -3.254 -21.141 8.044 1.00 73.21 H new ATOM 0 HG23 VAL A 20 -3.412 -21.000 9.811 1.00 73.21 H new ATOM 304 N ILE A 21 -1.977 -17.265 10.709 1.00 13.13 N ATOM 305 CA ILE A 21 -1.543 -17.051 12.084 1.00 31.42 C ATOM 306 C ILE A 21 -2.675 -16.488 12.937 1.00 43.32 C ATOM 307 O ILE A 21 -3.135 -15.368 12.713 1.00 33.15 O ATOM 308 CB ILE A 21 -0.338 -16.094 12.152 1.00 75.10 C ATOM 309 CG1 ILE A 21 0.896 -16.748 11.528 1.00 21.12 C ATOM 310 CG2 ILE A 21 -0.061 -15.693 13.593 1.00 31.11 C ATOM 311 CD1 ILE A 21 0.923 -16.670 10.018 1.00 43.32 C ATOM 0 H ILE A 21 -2.062 -16.412 10.156 1.00 13.13 H new ATOM 0 HA ILE A 21 -1.246 -18.024 12.476 1.00 31.42 H new ATOM 0 HB ILE A 21 -0.575 -15.194 11.584 1.00 75.10 H new ATOM 0 HG12 ILE A 21 1.791 -16.268 11.924 1.00 21.12 H new ATOM 0 HG13 ILE A 21 0.935 -17.795 11.830 1.00 21.12 H new ATOM 0 HG21 ILE A 21 0.793 -15.017 13.625 1.00 31.11 H new ATOM 0 HG22 ILE A 21 -0.936 -15.192 14.006 1.00 31.11 H new ATOM 0 HG23 ILE A 21 0.159 -16.583 14.183 1.00 31.11 H new ATOM 0 HD11 ILE A 21 1.826 -17.154 9.645 1.00 43.32 H new ATOM 0 HD12 ILE A 21 0.047 -17.175 9.612 1.00 43.32 H new ATOM 0 HD13 ILE A 21 0.916 -15.625 9.707 1.00 43.32 H new ATOM 323 N ARG A 22 -3.117 -17.270 13.916 1.00 70.33 N ATOM 324 CA ARG A 22 -4.195 -16.849 14.803 1.00 65.11 C ATOM 325 C ARG A 22 -3.637 -16.187 16.059 1.00 23.25 C ATOM 326 O ARG A 22 -3.130 -16.862 16.956 1.00 41.13 O ATOM 327 CB ARG A 22 -5.065 -18.047 15.188 1.00 44.02 C ATOM 328 CG ARG A 22 -6.404 -17.658 15.792 1.00 51.24 C ATOM 329 CD ARG A 22 -6.305 -17.480 17.299 1.00 73.04 C ATOM 330 NE ARG A 22 -7.602 -17.181 17.901 1.00 42.24 N ATOM 331 CZ ARG A 22 -7.747 -16.678 19.122 1.00 63.43 C ATOM 332 NH1 ARG A 22 -6.681 -16.420 19.867 1.00 43.14 N ATOM 333 NH2 ARG A 22 -8.960 -16.433 19.600 1.00 41.11 N ATOM 0 H ARG A 22 -2.745 -18.199 14.115 1.00 70.33 H new ATOM 0 HA ARG A 22 -4.807 -16.121 14.270 1.00 65.11 H new ATOM 0 HB2 ARG A 22 -5.239 -18.658 14.302 1.00 44.02 H new ATOM 0 HB3 ARG A 22 -4.521 -18.666 15.901 1.00 44.02 H new ATOM 0 HG2 ARG A 22 -6.754 -16.731 15.337 1.00 51.24 H new ATOM 0 HG3 ARG A 22 -7.144 -18.425 15.563 1.00 51.24 H new ATOM 0 HD2 ARG A 22 -5.899 -18.388 17.745 1.00 73.04 H new ATOM 0 HD3 ARG A 22 -5.606 -16.674 17.524 1.00 73.04 H new ATOM 0 HE ARG A 22 -8.442 -17.369 17.354 1.00 42.24 H new ATOM 0 HH11 ARG A 22 -5.747 -16.608 19.503 1.00 43.14 H new ATOM 0 HH12 ARG A 22 -6.795 -16.034 20.804 1.00 43.14 H new ATOM 0 HH21 ARG A 22 -9.782 -16.631 19.030 1.00 41.11 H new ATOM 0 HH22 ARG A 22 -9.070 -16.047 20.538 1.00 41.11 H new ATOM 347 N SER A 23 -3.733 -14.863 16.117 1.00 12.22 N ATOM 348 CA SER A 23 -3.235 -14.109 17.262 1.00 65.14 C ATOM 349 C SER A 23 -1.789 -14.485 17.571 1.00 23.13 C ATOM 350 O SER A 23 -1.391 -14.565 18.733 1.00 74.01 O ATOM 351 CB SER A 23 -4.113 -14.362 18.488 1.00 32.51 C ATOM 352 OG SER A 23 -5.254 -13.521 18.481 1.00 25.20 O ATOM 0 H SER A 23 -4.151 -14.290 15.384 1.00 12.22 H new ATOM 0 HA SER A 23 -3.272 -13.049 17.012 1.00 65.14 H new ATOM 0 HB2 SER A 23 -4.427 -15.406 18.505 1.00 32.51 H new ATOM 0 HB3 SER A 23 -3.535 -14.188 19.395 1.00 32.51 H new ATOM 0 HG SER A 23 -5.800 -13.704 19.274 1.00 25.20 H new ATOM 358 N GLY A 24 -1.006 -14.715 16.522 1.00 64.24 N ATOM 359 CA GLY A 24 0.387 -15.080 16.701 1.00 24.31 C ATOM 360 C GLY A 24 0.578 -16.575 16.870 1.00 10.54 C ATOM 361 O GLY A 24 1.647 -17.030 17.279 1.00 54.32 O ATOM 0 H GLY A 24 -1.312 -14.655 15.551 1.00 64.24 H new ATOM 0 HA2 GLY A 24 0.962 -14.738 15.841 1.00 24.31 H new ATOM 0 HA3 GLY A 24 0.785 -14.565 17.575 1.00 24.31 H new ATOM 365 N LYS A 25 -0.461 -17.341 16.558 1.00 72.14 N ATOM 366 CA LYS A 25 -0.405 -18.793 16.677 1.00 30.22 C ATOM 367 C LYS A 25 -0.879 -19.464 15.392 1.00 52.32 C ATOM 368 O LYS A 25 -2.077 -19.518 15.113 1.00 71.20 O ATOM 369 CB LYS A 25 -1.262 -19.262 17.856 1.00 44.15 C ATOM 370 CG LYS A 25 -0.763 -18.770 19.203 1.00 33.14 C ATOM 371 CD LYS A 25 -1.415 -17.454 19.592 1.00 1.43 C ATOM 372 CE LYS A 25 -0.549 -16.669 20.566 1.00 62.21 C ATOM 373 NZ LYS A 25 -0.345 -17.405 21.844 1.00 31.33 N ATOM 0 H LYS A 25 -1.353 -16.980 16.220 1.00 72.14 H new ATOM 0 HA LYS A 25 0.632 -19.078 16.853 1.00 30.22 H new ATOM 0 HB2 LYS A 25 -2.286 -18.918 17.710 1.00 44.15 H new ATOM 0 HB3 LYS A 25 -1.289 -20.352 17.864 1.00 44.15 H new ATOM 0 HG2 LYS A 25 -0.972 -19.520 19.966 1.00 33.14 H new ATOM 0 HG3 LYS A 25 0.319 -18.645 19.168 1.00 33.14 H new ATOM 0 HD2 LYS A 25 -1.592 -16.856 18.698 1.00 1.43 H new ATOM 0 HD3 LYS A 25 -2.388 -17.648 20.044 1.00 1.43 H new ATOM 0 HE2 LYS A 25 0.418 -16.463 20.107 1.00 62.21 H new ATOM 0 HE3 LYS A 25 -1.016 -15.706 20.772 1.00 62.21 H new ATOM 0 HZ1 LYS A 25 0.207 -16.816 22.500 1.00 31.33 H new ATOM 0 HZ2 LYS A 25 -1.268 -17.624 22.269 1.00 31.33 H new ATOM 0 HZ3 LYS A 25 0.169 -18.290 21.657 1.00 31.33 H new ATOM 387 N LYS A 26 0.068 -19.975 14.612 1.00 12.34 N ATOM 388 CA LYS A 26 -0.252 -20.645 13.358 1.00 53.45 C ATOM 389 C LYS A 26 -1.147 -21.856 13.600 1.00 12.23 C ATOM 390 O LYS A 26 -0.848 -22.701 14.444 1.00 1.15 O ATOM 391 CB LYS A 26 1.031 -21.080 12.646 1.00 12.30 C ATOM 392 CG LYS A 26 0.783 -21.908 11.397 1.00 51.40 C ATOM 393 CD LYS A 26 2.060 -22.110 10.600 1.00 65.33 C ATOM 394 CE LYS A 26 2.577 -20.797 10.032 1.00 61.34 C ATOM 395 NZ LYS A 26 3.673 -21.012 9.047 1.00 62.23 N ATOM 0 H LYS A 26 1.064 -19.937 14.827 1.00 12.34 H new ATOM 0 HA LYS A 26 -0.790 -19.939 12.726 1.00 53.45 H new ATOM 0 HB2 LYS A 26 1.605 -20.194 12.376 1.00 12.30 H new ATOM 0 HB3 LYS A 26 1.643 -21.657 13.339 1.00 12.30 H new ATOM 0 HG2 LYS A 26 0.371 -22.877 11.678 1.00 51.40 H new ATOM 0 HG3 LYS A 26 0.038 -21.414 10.773 1.00 51.40 H new ATOM 0 HD2 LYS A 26 2.822 -22.556 11.239 1.00 65.33 H new ATOM 0 HD3 LYS A 26 1.875 -22.812 9.787 1.00 65.33 H new ATOM 0 HE2 LYS A 26 1.758 -20.261 9.553 1.00 61.34 H new ATOM 0 HE3 LYS A 26 2.938 -20.167 10.845 1.00 61.34 H new ATOM 0 HZ1 LYS A 26 3.998 -20.093 8.683 1.00 62.23 H new ATOM 0 HZ2 LYS A 26 4.465 -21.501 9.511 1.00 62.23 H new ATOM 0 HZ3 LYS A 26 3.322 -21.592 8.258 1.00 62.23 H new ATOM 409 N ILE A 27 -2.244 -21.934 12.855 1.00 72.13 N ATOM 410 CA ILE A 27 -3.180 -23.043 12.988 1.00 72.50 C ATOM 411 C ILE A 27 -2.645 -24.299 12.308 1.00 51.03 C ATOM 412 O ILE A 27 -1.987 -24.223 11.270 1.00 61.23 O ATOM 413 CB ILE A 27 -4.555 -22.695 12.389 1.00 54.15 C ATOM 414 CG1 ILE A 27 -5.131 -21.451 13.068 1.00 55.45 C ATOM 415 CG2 ILE A 27 -5.509 -23.872 12.531 1.00 41.14 C ATOM 416 CD1 ILE A 27 -5.430 -21.648 14.537 1.00 4.34 C ATOM 0 H ILE A 27 -2.507 -21.242 12.153 1.00 72.13 H new ATOM 0 HA ILE A 27 -3.295 -23.231 14.055 1.00 72.50 H new ATOM 0 HB ILE A 27 -4.429 -22.481 11.328 1.00 54.15 H new ATOM 0 HG12 ILE A 27 -4.426 -20.627 12.956 1.00 55.45 H new ATOM 0 HG13 ILE A 27 -6.047 -21.159 12.555 1.00 55.45 H new ATOM 0 HG21 ILE A 27 -6.476 -23.610 12.103 1.00 41.14 H new ATOM 0 HG22 ILE A 27 -5.102 -24.736 12.006 1.00 41.14 H new ATOM 0 HG23 ILE A 27 -5.633 -24.114 13.586 1.00 41.14 H new ATOM 0 HD11 ILE A 27 -5.835 -20.726 14.953 1.00 4.34 H new ATOM 0 HD12 ILE A 27 -6.158 -22.450 14.656 1.00 4.34 H new ATOM 0 HD13 ILE A 27 -4.512 -21.910 15.063 1.00 4.34 H new ATOM 428 N HIS A 28 -2.934 -25.454 12.899 1.00 65.24 N ATOM 429 CA HIS A 28 -2.483 -26.728 12.348 1.00 13.22 C ATOM 430 C HIS A 28 -3.543 -27.327 11.429 1.00 60.14 C ATOM 431 O HIS A 28 -4.742 -27.153 11.650 1.00 72.14 O ATOM 432 CB HIS A 28 -2.156 -27.708 13.476 1.00 55.45 C ATOM 433 CG HIS A 28 -3.366 -28.209 14.203 1.00 1.42 C ATOM 434 ND1 HIS A 28 -4.012 -29.381 13.871 1.00 1.25 N ATOM 435 CD2 HIS A 28 -4.046 -27.690 15.252 1.00 1.14 C ATOM 436 CE1 HIS A 28 -5.038 -29.561 14.684 1.00 41.40 C ATOM 437 NE2 HIS A 28 -5.080 -28.549 15.532 1.00 54.42 N ATOM 0 H HIS A 28 -3.478 -25.535 13.758 1.00 65.24 H new ATOM 0 HA HIS A 28 -1.582 -26.545 11.763 1.00 13.22 H new ATOM 0 HB2 HIS A 28 -1.613 -28.558 13.062 1.00 55.45 H new ATOM 0 HB3 HIS A 28 -1.490 -27.221 14.188 1.00 55.45 H new ATOM 0 HD2 HIS A 28 -3.818 -26.771 15.772 1.00 1.14 H new ATOM 0 HE1 HIS A 28 -5.725 -30.394 14.659 1.00 41.40 H new ATOM 0 HE2 HIS A 28 -5.769 -28.426 16.274 1.00 54.42 H new ATOM 445 N LEU A 29 -3.093 -28.033 10.397 1.00 52.53 N ATOM 446 CA LEU A 29 -4.003 -28.657 9.442 1.00 24.45 C ATOM 447 C LEU A 29 -3.294 -29.751 8.651 1.00 65.35 C ATOM 448 O LEU A 29 -2.109 -30.015 8.858 1.00 23.23 O ATOM 449 CB LEU A 29 -4.571 -27.607 8.487 1.00 51.03 C ATOM 450 CG LEU A 29 -3.595 -26.526 8.020 1.00 73.21 C ATOM 451 CD1 LEU A 29 -2.473 -27.140 7.197 1.00 2.34 C ATOM 452 CD2 LEU A 29 -4.325 -25.459 7.217 1.00 33.23 C ATOM 0 H LEU A 29 -2.104 -28.188 10.200 1.00 52.53 H new ATOM 0 HA LEU A 29 -4.822 -29.110 10.000 1.00 24.45 H new ATOM 0 HB2 LEU A 29 -4.963 -28.119 7.608 1.00 51.03 H new ATOM 0 HB3 LEU A 29 -5.415 -27.120 8.975 1.00 51.03 H new ATOM 0 HG LEU A 29 -3.157 -26.054 8.900 1.00 73.21 H new ATOM 0 HD11 LEU A 29 -1.788 -26.356 6.873 1.00 2.34 H new ATOM 0 HD12 LEU A 29 -1.932 -27.866 7.804 1.00 2.34 H new ATOM 0 HD13 LEU A 29 -2.893 -27.638 6.323 1.00 2.34 H new ATOM 0 HD21 LEU A 29 -3.615 -24.698 6.893 1.00 33.23 H new ATOM 0 HD22 LEU A 29 -4.791 -25.916 6.344 1.00 33.23 H new ATOM 0 HD23 LEU A 29 -5.093 -24.998 7.838 1.00 33.23 H new ATOM 464 N THR A 30 -4.026 -30.385 7.739 1.00 1.44 N ATOM 465 CA THR A 30 -3.468 -31.449 6.915 1.00 25.02 C ATOM 466 C THR A 30 -3.332 -31.006 5.463 1.00 71.21 C ATOM 467 O THR A 30 -3.762 -29.914 5.094 1.00 3.01 O ATOM 468 CB THR A 30 -4.337 -32.719 6.974 1.00 64.43 C ATOM 469 OG1 THR A 30 -3.657 -33.807 6.337 1.00 33.41 O ATOM 470 CG2 THR A 30 -5.679 -32.488 6.298 1.00 75.15 C ATOM 0 H THR A 30 -5.008 -30.179 7.553 1.00 1.44 H new ATOM 0 HA THR A 30 -2.480 -31.675 7.316 1.00 25.02 H new ATOM 0 HB THR A 30 -4.513 -32.964 8.021 1.00 64.43 H new ATOM 0 HG1 THR A 30 -4.215 -34.612 6.380 1.00 33.41 H new ATOM 0 HG21 THR A 30 -6.275 -33.399 6.352 1.00 75.15 H new ATOM 0 HG22 THR A 30 -6.206 -31.679 6.803 1.00 75.15 H new ATOM 0 HG23 THR A 30 -5.519 -32.221 5.253 1.00 75.15 H new ATOM 478 N GLY A 31 -2.732 -31.862 4.641 1.00 31.32 N ATOM 479 CA GLY A 31 -2.551 -31.541 3.238 1.00 55.24 C ATOM 480 C GLY A 31 -3.846 -31.127 2.567 1.00 41.45 C ATOM 481 O GLY A 31 -3.919 -30.069 1.941 1.00 14.52 O ATOM 0 H GLY A 31 -2.368 -32.772 4.922 1.00 31.32 H new ATOM 0 HA2 GLY A 31 -1.823 -30.736 3.144 1.00 55.24 H new ATOM 0 HA3 GLY A 31 -2.138 -32.407 2.721 1.00 55.24 H new ATOM 485 N LYS A 32 -4.871 -31.963 2.694 1.00 4.21 N ATOM 486 CA LYS A 32 -6.169 -31.679 2.095 1.00 73.30 C ATOM 487 C LYS A 32 -6.713 -30.341 2.584 1.00 53.34 C ATOM 488 O LYS A 32 -7.065 -29.475 1.783 1.00 3.43 O ATOM 489 CB LYS A 32 -7.161 -32.796 2.426 1.00 75.50 C ATOM 490 CG LYS A 32 -6.716 -34.167 1.947 1.00 22.32 C ATOM 491 CD LYS A 32 -7.381 -35.279 2.741 1.00 14.11 C ATOM 492 CE LYS A 32 -6.556 -36.556 2.711 1.00 32.23 C ATOM 493 NZ LYS A 32 -7.287 -37.703 3.317 1.00 34.24 N ATOM 0 H LYS A 32 -4.827 -32.844 3.207 1.00 4.21 H new ATOM 0 HA LYS A 32 -6.038 -31.625 1.014 1.00 73.30 H new ATOM 0 HB2 LYS A 32 -7.311 -32.829 3.505 1.00 75.50 H new ATOM 0 HB3 LYS A 32 -8.125 -32.559 1.977 1.00 75.50 H new ATOM 0 HG2 LYS A 32 -6.957 -34.280 0.890 1.00 22.32 H new ATOM 0 HG3 LYS A 32 -5.633 -34.251 2.038 1.00 22.32 H new ATOM 0 HD2 LYS A 32 -7.519 -34.958 3.773 1.00 14.11 H new ATOM 0 HD3 LYS A 32 -8.373 -35.476 2.333 1.00 14.11 H new ATOM 0 HE2 LYS A 32 -6.295 -36.796 1.680 1.00 32.23 H new ATOM 0 HE3 LYS A 32 -5.621 -36.397 3.248 1.00 32.23 H new ATOM 0 HZ1 LYS A 32 -6.691 -38.554 3.277 1.00 34.24 H new ATOM 0 HZ2 LYS A 32 -7.514 -37.485 4.308 1.00 34.24 H new ATOM 0 HZ3 LYS A 32 -8.167 -37.872 2.789 1.00 34.24 H new ATOM 507 N GLU A 33 -6.778 -30.179 3.901 1.00 12.35 N ATOM 508 CA GLU A 33 -7.279 -28.945 4.495 1.00 1.50 C ATOM 509 C GLU A 33 -6.499 -27.738 3.980 1.00 13.14 C ATOM 510 O GLU A 33 -7.081 -26.705 3.648 1.00 11.12 O ATOM 511 CB GLU A 33 -7.187 -29.012 6.021 1.00 63.21 C ATOM 512 CG GLU A 33 -8.413 -29.623 6.678 1.00 10.54 C ATOM 513 CD GLU A 33 -8.548 -31.106 6.397 1.00 73.41 C ATOM 514 OE1 GLU A 33 -8.853 -31.465 5.240 1.00 52.31 O ATOM 515 OE2 GLU A 33 -8.350 -31.909 7.333 1.00 42.14 O ATOM 0 H GLU A 33 -6.490 -30.886 4.577 1.00 12.35 H new ATOM 0 HA GLU A 33 -8.324 -28.832 4.206 1.00 1.50 H new ATOM 0 HB2 GLU A 33 -6.308 -29.594 6.298 1.00 63.21 H new ATOM 0 HB3 GLU A 33 -7.039 -28.005 6.412 1.00 63.21 H new ATOM 0 HG2 GLU A 33 -8.360 -29.465 7.755 1.00 10.54 H new ATOM 0 HG3 GLU A 33 -9.305 -29.107 6.323 1.00 10.54 H new ATOM 522 N TYR A 34 -5.180 -27.877 3.918 1.00 3.31 N ATOM 523 CA TYR A 34 -4.319 -26.798 3.447 1.00 12.12 C ATOM 524 C TYR A 34 -4.655 -26.422 2.007 1.00 14.24 C ATOM 525 O TYR A 34 -4.522 -25.265 1.608 1.00 22.00 O ATOM 526 CB TYR A 34 -2.849 -27.209 3.549 1.00 52.41 C ATOM 527 CG TYR A 34 -1.902 -26.238 2.880 1.00 22.24 C ATOM 528 CD1 TYR A 34 -2.043 -24.867 3.055 1.00 61.14 C ATOM 529 CD2 TYR A 34 -0.865 -26.693 2.075 1.00 4.01 C ATOM 530 CE1 TYR A 34 -1.180 -23.977 2.445 1.00 20.10 C ATOM 531 CE2 TYR A 34 0.004 -25.810 1.463 1.00 70.22 C ATOM 532 CZ TYR A 34 -0.158 -24.453 1.650 1.00 31.44 C ATOM 533 OH TYR A 34 0.704 -23.570 1.043 1.00 64.14 O ATOM 0 H TYR A 34 -4.683 -28.726 4.188 1.00 3.31 H new ATOM 0 HA TYR A 34 -4.491 -25.928 4.080 1.00 12.12 H new ATOM 0 HB2 TYR A 34 -2.578 -27.302 4.601 1.00 52.41 H new ATOM 0 HB3 TYR A 34 -2.724 -28.194 3.100 1.00 52.41 H new ATOM 0 HD1 TYR A 34 -2.841 -24.491 3.678 1.00 61.14 H new ATOM 0 HD2 TYR A 34 -0.736 -27.755 1.925 1.00 4.01 H new ATOM 0 HE1 TYR A 34 -1.305 -22.914 2.590 1.00 20.10 H new ATOM 0 HE2 TYR A 34 0.806 -26.180 0.842 1.00 70.22 H new ATOM 0 HH TYR A 34 1.367 -24.067 0.520 1.00 64.14 H new ATOM 543 N VAL A 35 -5.093 -27.409 1.232 1.00 54.42 N ATOM 544 CA VAL A 35 -5.451 -27.183 -0.163 1.00 51.15 C ATOM 545 C VAL A 35 -6.755 -26.401 -0.277 1.00 71.30 C ATOM 546 O VAL A 35 -6.945 -25.621 -1.211 1.00 2.11 O ATOM 547 CB VAL A 35 -5.594 -28.512 -0.928 1.00 61.23 C ATOM 548 CG1 VAL A 35 -6.412 -28.314 -2.195 1.00 63.25 C ATOM 549 CG2 VAL A 35 -4.224 -29.090 -1.253 1.00 14.44 C ATOM 0 H VAL A 35 -5.208 -28.372 1.547 1.00 54.42 H new ATOM 0 HA VAL A 35 -4.643 -26.602 -0.607 1.00 51.15 H new ATOM 0 HB VAL A 35 -6.121 -29.222 -0.291 1.00 61.23 H new ATOM 0 HG11 VAL A 35 -6.502 -29.264 -2.722 1.00 63.25 H new ATOM 0 HG12 VAL A 35 -7.405 -27.948 -1.934 1.00 63.25 H new ATOM 0 HG13 VAL A 35 -5.916 -27.588 -2.839 1.00 63.25 H new ATOM 0 HG21 VAL A 35 -4.344 -30.029 -1.794 1.00 14.44 H new ATOM 0 HG22 VAL A 35 -3.669 -28.384 -1.871 1.00 14.44 H new ATOM 0 HG23 VAL A 35 -3.677 -29.271 -0.328 1.00 14.44 H new ATOM 559 N LEU A 36 -7.652 -26.615 0.680 1.00 63.34 N ATOM 560 CA LEU A 36 -8.940 -25.930 0.688 1.00 24.12 C ATOM 561 C LEU A 36 -8.784 -24.484 1.148 1.00 30.11 C ATOM 562 O LEU A 36 -9.406 -23.575 0.596 1.00 62.41 O ATOM 563 CB LEU A 36 -9.924 -26.664 1.600 1.00 21.33 C ATOM 564 CG LEU A 36 -10.676 -27.837 0.970 1.00 20.23 C ATOM 565 CD1 LEU A 36 -9.758 -29.040 0.818 1.00 43.24 C ATOM 566 CD2 LEU A 36 -11.896 -28.198 1.805 1.00 73.23 C ATOM 0 H LEU A 36 -7.511 -27.257 1.460 1.00 63.34 H new ATOM 0 HA LEU A 36 -9.330 -25.928 -0.330 1.00 24.12 H new ATOM 0 HB2 LEU A 36 -9.378 -27.033 2.468 1.00 21.33 H new ATOM 0 HB3 LEU A 36 -10.656 -25.944 1.966 1.00 21.33 H new ATOM 0 HG LEU A 36 -11.014 -27.536 -0.022 1.00 20.23 H new ATOM 0 HD11 LEU A 36 -10.311 -29.865 0.368 1.00 43.24 H new ATOM 0 HD12 LEU A 36 -8.915 -28.776 0.179 1.00 43.24 H new ATOM 0 HD13 LEU A 36 -9.389 -29.342 1.798 1.00 43.24 H new ATOM 0 HD21 LEU A 36 -12.419 -29.035 1.342 1.00 73.23 H new ATOM 0 HD22 LEU A 36 -11.579 -28.479 2.809 1.00 73.23 H new ATOM 0 HD23 LEU A 36 -12.565 -27.339 1.863 1.00 73.23 H new ATOM 578 N LEU A 37 -7.949 -24.277 2.160 1.00 32.45 N ATOM 579 CA LEU A 37 -7.709 -22.941 2.694 1.00 53.12 C ATOM 580 C LEU A 37 -6.844 -22.122 1.741 1.00 11.24 C ATOM 581 O LEU A 37 -7.181 -20.988 1.401 1.00 33.43 O ATOM 582 CB LEU A 37 -7.035 -23.031 4.064 1.00 14.50 C ATOM 583 CG LEU A 37 -7.747 -23.893 5.107 1.00 62.52 C ATOM 584 CD1 LEU A 37 -7.366 -23.455 6.512 1.00 14.43 C ATOM 585 CD2 LEU A 37 -9.255 -23.827 4.915 1.00 1.11 C ATOM 0 H LEU A 37 -7.426 -25.018 2.628 1.00 32.45 H new ATOM 0 HA LEU A 37 -8.672 -22.441 2.803 1.00 53.12 H new ATOM 0 HB2 LEU A 37 -6.027 -23.422 3.926 1.00 14.50 H new ATOM 0 HB3 LEU A 37 -6.934 -22.022 4.464 1.00 14.50 H new ATOM 0 HG LEU A 37 -7.430 -24.927 4.973 1.00 62.52 H new ATOM 0 HD11 LEU A 37 -7.882 -24.080 7.241 1.00 14.43 H new ATOM 0 HD12 LEU A 37 -6.289 -23.557 6.645 1.00 14.43 H new ATOM 0 HD13 LEU A 37 -7.653 -22.414 6.659 1.00 14.43 H new ATOM 0 HD21 LEU A 37 -9.745 -24.447 5.666 1.00 1.11 H new ATOM 0 HD22 LEU A 37 -9.590 -22.795 5.021 1.00 1.11 H new ATOM 0 HD23 LEU A 37 -9.511 -24.192 3.920 1.00 1.11 H new ATOM 597 N GLU A 38 -5.729 -22.705 1.314 1.00 44.04 N ATOM 598 CA GLU A 38 -4.816 -22.029 0.399 1.00 12.40 C ATOM 599 C GLU A 38 -5.565 -21.487 -0.815 1.00 53.11 C ATOM 600 O GLU A 38 -5.225 -20.430 -1.348 1.00 40.21 O ATOM 601 CB GLU A 38 -3.711 -22.985 -0.055 1.00 35.23 C ATOM 602 CG GLU A 38 -4.185 -24.036 -1.044 1.00 71.43 C ATOM 603 CD GLU A 38 -3.061 -24.932 -1.527 1.00 24.13 C ATOM 604 OE1 GLU A 38 -2.211 -25.316 -0.696 1.00 20.13 O ATOM 605 OE2 GLU A 38 -3.030 -25.249 -2.734 1.00 41.21 O ATOM 0 H GLU A 38 -5.436 -23.643 1.586 1.00 44.04 H new ATOM 0 HA GLU A 38 -4.365 -21.191 0.931 1.00 12.40 H new ATOM 0 HB2 GLU A 38 -2.906 -22.407 -0.509 1.00 35.23 H new ATOM 0 HB3 GLU A 38 -3.291 -23.483 0.819 1.00 35.23 H new ATOM 0 HG2 GLU A 38 -4.957 -24.648 -0.576 1.00 71.43 H new ATOM 0 HG3 GLU A 38 -4.645 -23.543 -1.900 1.00 71.43 H new ATOM 612 N LEU A 39 -6.586 -22.218 -1.248 1.00 33.54 N ATOM 613 CA LEU A 39 -7.384 -21.813 -2.399 1.00 55.14 C ATOM 614 C LEU A 39 -8.389 -20.732 -2.012 1.00 60.24 C ATOM 615 O LEU A 39 -8.626 -19.790 -2.770 1.00 34.22 O ATOM 616 CB LEU A 39 -8.118 -23.020 -2.987 1.00 43.10 C ATOM 617 CG LEU A 39 -7.952 -23.239 -4.491 1.00 53.43 C ATOM 618 CD1 LEU A 39 -8.580 -22.093 -5.270 1.00 1.45 C ATOM 619 CD2 LEU A 39 -6.481 -23.387 -4.850 1.00 41.41 C ATOM 0 H LEU A 39 -6.881 -23.095 -0.819 1.00 33.54 H new ATOM 0 HA LEU A 39 -6.709 -21.404 -3.151 1.00 55.14 H new ATOM 0 HB2 LEU A 39 -7.775 -23.916 -2.470 1.00 43.10 H new ATOM 0 HB3 LEU A 39 -9.181 -22.914 -2.771 1.00 43.10 H new ATOM 0 HG LEU A 39 -8.466 -24.161 -4.763 1.00 53.43 H new ATOM 0 HD11 LEU A 39 -8.452 -22.266 -6.339 1.00 1.45 H new ATOM 0 HD12 LEU A 39 -9.643 -22.034 -5.037 1.00 1.45 H new ATOM 0 HD13 LEU A 39 -8.095 -21.157 -4.994 1.00 1.45 H new ATOM 0 HD21 LEU A 39 -6.383 -23.542 -5.924 1.00 41.41 H new ATOM 0 HD22 LEU A 39 -5.944 -22.483 -4.563 1.00 41.41 H new ATOM 0 HD23 LEU A 39 -6.061 -24.242 -4.320 1.00 41.41 H new ATOM 631 N LEU A 40 -8.975 -20.873 -0.828 1.00 62.15 N ATOM 632 CA LEU A 40 -9.953 -19.908 -0.339 1.00 4.51 C ATOM 633 C LEU A 40 -9.311 -18.539 -0.136 1.00 13.53 C ATOM 634 O LEU A 40 -9.832 -17.522 -0.598 1.00 31.34 O ATOM 635 CB LEU A 40 -10.567 -20.395 0.974 1.00 32.51 C ATOM 636 CG LEU A 40 -12.095 -20.452 1.020 1.00 24.01 C ATOM 637 CD1 LEU A 40 -12.611 -21.618 0.191 1.00 3.03 C ATOM 638 CD2 LEU A 40 -12.581 -20.561 2.458 1.00 52.42 C ATOM 0 H LEU A 40 -8.790 -21.646 -0.189 1.00 62.15 H new ATOM 0 HA LEU A 40 -10.740 -19.814 -1.088 1.00 4.51 H new ATOM 0 HB2 LEU A 40 -10.180 -21.392 1.185 1.00 32.51 H new ATOM 0 HB3 LEU A 40 -10.223 -19.743 1.777 1.00 32.51 H new ATOM 0 HG LEU A 40 -12.487 -19.529 0.594 1.00 24.01 H new ATOM 0 HD11 LEU A 40 -13.700 -21.643 0.236 1.00 3.03 H new ATOM 0 HD12 LEU A 40 -12.293 -21.497 -0.845 1.00 3.03 H new ATOM 0 HD13 LEU A 40 -12.211 -22.551 0.587 1.00 3.03 H new ATOM 0 HD21 LEU A 40 -13.670 -20.600 2.472 1.00 52.42 H new ATOM 0 HD22 LEU A 40 -12.179 -21.468 2.910 1.00 52.42 H new ATOM 0 HD23 LEU A 40 -12.242 -19.693 3.023 1.00 52.42 H new ATOM 650 N LEU A 41 -8.178 -18.519 0.556 1.00 25.12 N ATOM 651 CA LEU A 41 -7.463 -17.275 0.819 1.00 42.21 C ATOM 652 C LEU A 41 -6.895 -16.690 -0.471 1.00 33.15 C ATOM 653 O LEU A 41 -6.995 -15.488 -0.714 1.00 73.02 O ATOM 654 CB LEU A 41 -6.334 -17.514 1.824 1.00 75.13 C ATOM 655 CG LEU A 41 -5.322 -18.597 1.450 1.00 24.12 C ATOM 656 CD1 LEU A 41 -4.113 -17.983 0.762 1.00 42.33 C ATOM 657 CD2 LEU A 41 -4.895 -19.377 2.685 1.00 31.13 C ATOM 0 H LEU A 41 -7.734 -19.351 0.946 1.00 25.12 H new ATOM 0 HA LEU A 41 -8.171 -16.561 1.240 1.00 42.21 H new ATOM 0 HB2 LEU A 41 -5.797 -16.576 1.967 1.00 75.13 H new ATOM 0 HB3 LEU A 41 -6.778 -17.776 2.784 1.00 75.13 H new ATOM 0 HG LEU A 41 -5.799 -19.288 0.755 1.00 24.12 H new ATOM 0 HD11 LEU A 41 -3.404 -18.769 0.503 1.00 42.33 H new ATOM 0 HD12 LEU A 41 -4.432 -17.469 -0.145 1.00 42.33 H new ATOM 0 HD13 LEU A 41 -3.635 -17.270 1.434 1.00 42.33 H new ATOM 0 HD21 LEU A 41 -4.175 -20.144 2.400 1.00 31.13 H new ATOM 0 HD22 LEU A 41 -4.437 -18.698 3.404 1.00 31.13 H new ATOM 0 HD23 LEU A 41 -5.767 -19.849 3.137 1.00 31.13 H new ATOM 669 N GLN A 42 -6.302 -17.549 -1.293 1.00 22.22 N ATOM 670 CA GLN A 42 -5.720 -17.117 -2.558 1.00 70.32 C ATOM 671 C GLN A 42 -6.734 -16.331 -3.383 1.00 64.11 C ATOM 672 O GLN A 42 -6.428 -15.256 -3.899 1.00 13.33 O ATOM 673 CB GLN A 42 -5.224 -18.325 -3.354 1.00 61.54 C ATOM 674 CG GLN A 42 -4.635 -17.962 -4.708 1.00 10.11 C ATOM 675 CD GLN A 42 -4.462 -19.167 -5.612 1.00 1.33 C ATOM 676 OE1 GLN A 42 -4.881 -20.275 -5.276 1.00 12.43 O ATOM 677 NE2 GLN A 42 -3.841 -18.956 -6.767 1.00 35.33 N ATOM 0 H GLN A 42 -6.212 -18.548 -1.106 1.00 22.22 H new ATOM 0 HA GLN A 42 -4.875 -16.465 -2.337 1.00 70.32 H new ATOM 0 HB2 GLN A 42 -4.470 -18.851 -2.768 1.00 61.54 H new ATOM 0 HB3 GLN A 42 -6.053 -19.017 -3.502 1.00 61.54 H new ATOM 0 HG2 GLN A 42 -5.282 -17.235 -5.198 1.00 10.11 H new ATOM 0 HG3 GLN A 42 -3.668 -17.481 -4.562 1.00 10.11 H new ATOM 0 HE21 GLN A 42 -3.510 -18.021 -7.005 1.00 35.33 H new ATOM 0 HE22 GLN A 42 -3.695 -19.729 -7.416 1.00 35.33 H new ATOM 686 N ARG A 43 -7.940 -16.875 -3.504 1.00 31.20 N ATOM 687 CA ARG A 43 -8.998 -16.225 -4.268 1.00 32.22 C ATOM 688 C ARG A 43 -10.018 -15.574 -3.338 1.00 53.04 C ATOM 689 O ARG A 43 -11.184 -15.407 -3.697 1.00 53.55 O ATOM 690 CB ARG A 43 -9.695 -17.238 -5.178 1.00 33.11 C ATOM 691 CG ARG A 43 -9.043 -17.380 -6.543 1.00 64.52 C ATOM 692 CD ARG A 43 -7.565 -17.718 -6.422 1.00 30.53 C ATOM 693 NE ARG A 43 -6.992 -18.134 -7.699 1.00 21.40 N ATOM 694 CZ ARG A 43 -7.277 -19.289 -8.291 1.00 52.44 C ATOM 695 NH1 ARG A 43 -8.124 -20.137 -7.725 1.00 12.21 N ATOM 696 NH2 ARG A 43 -6.715 -19.596 -9.453 1.00 71.05 N ATOM 0 H ARG A 43 -8.209 -17.764 -3.083 1.00 31.20 H new ATOM 0 HA ARG A 43 -8.544 -15.448 -4.882 1.00 32.22 H new ATOM 0 HB2 ARG A 43 -9.703 -18.210 -4.686 1.00 33.11 H new ATOM 0 HB3 ARG A 43 -10.735 -16.939 -5.311 1.00 33.11 H new ATOM 0 HG2 ARG A 43 -9.550 -18.160 -7.110 1.00 64.52 H new ATOM 0 HG3 ARG A 43 -9.160 -16.452 -7.102 1.00 64.52 H new ATOM 0 HD2 ARG A 43 -7.024 -16.849 -6.048 1.00 30.53 H new ATOM 0 HD3 ARG A 43 -7.434 -18.514 -5.689 1.00 30.53 H new ATOM 0 HE ARG A 43 -6.337 -17.504 -8.162 1.00 21.40 H new ATOM 0 HH11 ARG A 43 -8.559 -19.904 -6.832 1.00 12.21 H new ATOM 0 HH12 ARG A 43 -8.341 -21.023 -8.182 1.00 12.21 H new ATOM 0 HH21 ARG A 43 -6.064 -18.945 -9.892 1.00 71.05 H new ATOM 0 HH22 ARG A 43 -6.934 -20.483 -9.907 1.00 71.05 H new ATOM 710 N THR A 44 -9.571 -15.209 -2.141 1.00 14.53 N ATOM 711 CA THR A 44 -10.445 -14.578 -1.159 1.00 45.41 C ATOM 712 C THR A 44 -11.213 -13.414 -1.774 1.00 40.33 C ATOM 713 O THR A 44 -10.634 -12.560 -2.445 1.00 21.12 O ATOM 714 CB THR A 44 -9.647 -14.067 0.056 1.00 52.43 C ATOM 715 OG1 THR A 44 -10.541 -13.533 1.039 1.00 20.53 O ATOM 716 CG2 THR A 44 -8.649 -12.997 -0.363 1.00 34.31 C ATOM 0 H THR A 44 -8.609 -15.339 -1.828 1.00 14.53 H new ATOM 0 HA THR A 44 -11.150 -15.340 -0.827 1.00 45.41 H new ATOM 0 HB THR A 44 -9.098 -14.907 0.482 1.00 52.43 H new ATOM 0 HG1 THR A 44 -10.027 -13.212 1.809 1.00 20.53 H new ATOM 0 HG21 THR A 44 -8.097 -12.651 0.511 1.00 34.31 H new ATOM 0 HG22 THR A 44 -7.952 -13.414 -1.090 1.00 34.31 H new ATOM 0 HG23 THR A 44 -9.182 -12.158 -0.811 1.00 34.31 H new ATOM 724 N GLY A 45 -12.522 -13.385 -1.541 1.00 63.11 N ATOM 725 CA GLY A 45 -13.348 -12.320 -2.079 1.00 71.53 C ATOM 726 C GLY A 45 -14.323 -12.817 -3.129 1.00 24.22 C ATOM 727 O GLY A 45 -15.374 -12.215 -3.342 1.00 73.00 O ATOM 0 H GLY A 45 -13.025 -14.080 -0.989 1.00 63.11 H new ATOM 0 HA2 GLY A 45 -13.902 -11.849 -1.267 1.00 71.53 H new ATOM 0 HA3 GLY A 45 -12.708 -11.553 -2.516 1.00 71.53 H new ATOM 731 N GLU A 46 -13.972 -13.918 -3.787 1.00 4.24 N ATOM 732 CA GLU A 46 -14.823 -14.493 -4.821 1.00 50.33 C ATOM 733 C GLU A 46 -15.147 -15.951 -4.511 1.00 34.22 C ATOM 734 O GLU A 46 -14.346 -16.661 -3.904 1.00 21.45 O ATOM 735 CB GLU A 46 -14.143 -14.390 -6.188 1.00 43.00 C ATOM 736 CG GLU A 46 -12.688 -14.827 -6.178 1.00 64.30 C ATOM 737 CD GLU A 46 -12.146 -15.083 -7.571 1.00 23.10 C ATOM 738 OE1 GLU A 46 -12.956 -15.339 -8.486 1.00 31.33 O ATOM 739 OE2 GLU A 46 -10.910 -15.027 -7.746 1.00 13.41 O ATOM 0 H GLU A 46 -13.105 -14.429 -3.622 1.00 4.24 H new ATOM 0 HA GLU A 46 -15.755 -13.929 -4.843 1.00 50.33 H new ATOM 0 HB2 GLU A 46 -14.692 -15.001 -6.905 1.00 43.00 H new ATOM 0 HB3 GLU A 46 -14.202 -13.359 -6.537 1.00 43.00 H new ATOM 0 HG2 GLU A 46 -12.085 -14.059 -5.693 1.00 64.30 H new ATOM 0 HG3 GLU A 46 -12.589 -15.734 -5.581 1.00 64.30 H new ATOM 746 N VAL A 47 -16.329 -16.391 -4.932 1.00 31.04 N ATOM 747 CA VAL A 47 -16.761 -17.764 -4.700 1.00 25.34 C ATOM 748 C VAL A 47 -16.159 -18.711 -5.732 1.00 73.12 C ATOM 749 O VAL A 47 -16.321 -18.517 -6.938 1.00 10.53 O ATOM 750 CB VAL A 47 -18.296 -17.885 -4.741 1.00 5.11 C ATOM 751 CG1 VAL A 47 -18.735 -19.266 -4.279 1.00 14.32 C ATOM 752 CG2 VAL A 47 -18.938 -16.799 -3.891 1.00 21.43 C ATOM 0 H VAL A 47 -17.004 -15.816 -5.436 1.00 31.04 H new ATOM 0 HA VAL A 47 -16.409 -18.043 -3.707 1.00 25.34 H new ATOM 0 HB VAL A 47 -18.627 -17.751 -5.771 1.00 5.11 H new ATOM 0 HG11 VAL A 47 -19.822 -19.333 -4.315 1.00 14.32 H new ATOM 0 HG12 VAL A 47 -18.303 -20.023 -4.934 1.00 14.32 H new ATOM 0 HG13 VAL A 47 -18.394 -19.433 -3.257 1.00 14.32 H new ATOM 0 HG21 VAL A 47 -20.023 -16.899 -3.931 1.00 21.43 H new ATOM 0 HG22 VAL A 47 -18.602 -16.899 -2.859 1.00 21.43 H new ATOM 0 HG23 VAL A 47 -18.650 -15.820 -4.273 1.00 21.43 H new ATOM 762 N LEU A 48 -15.465 -19.737 -5.252 1.00 72.14 N ATOM 763 CA LEU A 48 -14.839 -20.716 -6.134 1.00 32.41 C ATOM 764 C LEU A 48 -15.608 -22.034 -6.118 1.00 54.51 C ATOM 765 O LEU A 48 -16.324 -22.351 -5.168 1.00 70.51 O ATOM 766 CB LEU A 48 -13.388 -20.955 -5.714 1.00 63.32 C ATOM 767 CG LEU A 48 -12.723 -19.827 -4.925 1.00 1.01 C ATOM 768 CD1 LEU A 48 -11.313 -20.221 -4.515 1.00 24.42 C ATOM 769 CD2 LEU A 48 -12.703 -18.544 -5.743 1.00 13.34 C ATOM 0 H LEU A 48 -15.322 -19.913 -4.258 1.00 72.14 H new ATOM 0 HA LEU A 48 -14.857 -20.318 -7.149 1.00 32.41 H new ATOM 0 HB2 LEU A 48 -13.350 -21.863 -5.113 1.00 63.32 H new ATOM 0 HB3 LEU A 48 -12.797 -21.141 -6.611 1.00 63.32 H new ATOM 0 HG LEU A 48 -13.306 -19.650 -4.021 1.00 1.01 H new ATOM 0 HD11 LEU A 48 -10.856 -19.406 -3.954 1.00 24.42 H new ATOM 0 HD12 LEU A 48 -11.352 -21.114 -3.891 1.00 24.42 H new ATOM 0 HD13 LEU A 48 -10.719 -20.427 -5.406 1.00 24.42 H new ATOM 0 HD21 LEU A 48 -12.226 -17.752 -5.166 1.00 13.34 H new ATOM 0 HD22 LEU A 48 -12.144 -18.709 -6.664 1.00 13.34 H new ATOM 0 HD23 LEU A 48 -13.725 -18.251 -5.986 1.00 13.34 H new ATOM 781 N PRO A 49 -15.457 -22.820 -7.194 1.00 33.21 N ATOM 782 CA PRO A 49 -16.128 -24.117 -7.327 1.00 23.13 C ATOM 783 C PRO A 49 -15.569 -25.160 -6.364 1.00 51.42 C ATOM 784 O PRO A 49 -14.646 -24.880 -5.599 1.00 32.11 O ATOM 785 CB PRO A 49 -15.840 -24.518 -8.776 1.00 20.55 C ATOM 786 CG PRO A 49 -14.582 -23.801 -9.125 1.00 12.42 C ATOM 787 CD PRO A 49 -14.620 -22.505 -8.363 1.00 41.54 C ATOM 0 HA PRO A 49 -17.190 -24.053 -7.091 1.00 23.13 H new ATOM 0 HB2 PRO A 49 -15.720 -25.597 -8.872 1.00 20.55 H new ATOM 0 HB3 PRO A 49 -16.657 -24.228 -9.437 1.00 20.55 H new ATOM 0 HG2 PRO A 49 -13.707 -24.390 -8.849 1.00 12.42 H new ATOM 0 HG3 PRO A 49 -14.520 -23.621 -10.198 1.00 12.42 H new ATOM 0 HD2 PRO A 49 -13.621 -22.184 -8.067 1.00 41.54 H new ATOM 0 HD3 PRO A 49 -15.050 -21.701 -8.960 1.00 41.54 H new ATOM 795 N ARG A 50 -16.134 -26.362 -6.408 1.00 50.23 N ATOM 796 CA ARG A 50 -15.692 -27.446 -5.539 1.00 53.22 C ATOM 797 C ARG A 50 -14.821 -28.437 -6.306 1.00 14.32 C ATOM 798 O ARG A 50 -13.889 -29.018 -5.751 1.00 32.24 O ATOM 799 CB ARG A 50 -16.898 -28.169 -4.938 1.00 35.53 C ATOM 800 CG ARG A 50 -16.546 -29.072 -3.767 1.00 65.30 C ATOM 801 CD ARG A 50 -16.274 -30.497 -4.224 1.00 50.12 C ATOM 802 NE ARG A 50 -17.426 -31.082 -4.906 1.00 4.12 N ATOM 803 CZ ARG A 50 -17.343 -32.125 -5.725 1.00 14.44 C ATOM 804 NH1 ARG A 50 -16.170 -32.694 -5.962 1.00 61.31 N ATOM 805 NH2 ARG A 50 -18.437 -32.600 -6.307 1.00 44.15 N ATOM 0 H ARG A 50 -16.899 -26.610 -7.036 1.00 50.23 H new ATOM 0 HA ARG A 50 -15.097 -27.014 -4.734 1.00 53.22 H new ATOM 0 HB2 ARG A 50 -17.627 -27.429 -4.609 1.00 35.53 H new ATOM 0 HB3 ARG A 50 -17.377 -28.765 -5.714 1.00 35.53 H new ATOM 0 HG2 ARG A 50 -15.668 -28.679 -3.255 1.00 65.30 H new ATOM 0 HG3 ARG A 50 -17.363 -29.070 -3.046 1.00 65.30 H new ATOM 0 HD2 ARG A 50 -15.414 -30.505 -4.893 1.00 50.12 H new ATOM 0 HD3 ARG A 50 -16.013 -31.111 -3.362 1.00 50.12 H new ATOM 0 HE ARG A 50 -18.344 -30.667 -4.745 1.00 4.12 H new ATOM 0 HH11 ARG A 50 -15.328 -32.331 -5.515 1.00 61.31 H new ATOM 0 HH12 ARG A 50 -16.109 -33.495 -6.591 1.00 61.31 H new ATOM 0 HH21 ARG A 50 -19.341 -32.164 -6.126 1.00 44.15 H new ATOM 0 HH22 ARG A 50 -18.374 -33.401 -6.936 1.00 44.15 H new ATOM 819 N SER A 51 -15.132 -28.624 -7.584 1.00 74.34 N ATOM 820 CA SER A 51 -14.381 -29.548 -8.426 1.00 52.13 C ATOM 821 C SER A 51 -12.930 -29.098 -8.566 1.00 30.11 C ATOM 822 O SER A 51 -12.010 -29.917 -8.551 1.00 3.34 O ATOM 823 CB SER A 51 -15.029 -29.654 -9.808 1.00 53.01 C ATOM 824 OG SER A 51 -15.178 -28.376 -10.401 1.00 51.51 O ATOM 0 H SER A 51 -15.899 -28.148 -8.059 1.00 74.34 H new ATOM 0 HA SER A 51 -14.395 -30.528 -7.950 1.00 52.13 H new ATOM 0 HB2 SER A 51 -14.419 -30.288 -10.451 1.00 53.01 H new ATOM 0 HB3 SER A 51 -16.004 -30.133 -9.720 1.00 53.01 H new ATOM 0 HG SER A 51 -15.593 -28.471 -11.284 1.00 51.51 H new ATOM 830 N LEU A 52 -12.733 -27.792 -8.702 1.00 40.51 N ATOM 831 CA LEU A 52 -11.394 -27.230 -8.845 1.00 21.44 C ATOM 832 C LEU A 52 -10.527 -27.578 -7.639 1.00 64.51 C ATOM 833 O LEU A 52 -9.428 -28.115 -7.787 1.00 10.12 O ATOM 834 CB LEU A 52 -11.471 -25.712 -9.010 1.00 41.34 C ATOM 835 CG LEU A 52 -10.136 -24.967 -8.999 1.00 44.22 C ATOM 836 CD1 LEU A 52 -9.198 -25.536 -10.052 1.00 63.42 C ATOM 837 CD2 LEU A 52 -10.354 -23.478 -9.226 1.00 4.11 C ATOM 0 H LEU A 52 -13.484 -27.101 -8.716 1.00 40.51 H new ATOM 0 HA LEU A 52 -10.938 -27.663 -9.735 1.00 21.44 H new ATOM 0 HB2 LEU A 52 -11.978 -25.494 -9.950 1.00 41.34 H new ATOM 0 HB3 LEU A 52 -12.095 -25.311 -8.211 1.00 41.34 H new ATOM 0 HG LEU A 52 -9.675 -25.102 -8.020 1.00 44.22 H new ATOM 0 HD11 LEU A 52 -8.253 -24.993 -10.029 1.00 63.42 H new ATOM 0 HD12 LEU A 52 -9.016 -26.591 -9.845 1.00 63.42 H new ATOM 0 HD13 LEU A 52 -9.652 -25.433 -11.038 1.00 63.42 H new ATOM 0 HD21 LEU A 52 -9.393 -22.964 -9.215 1.00 4.11 H new ATOM 0 HD22 LEU A 52 -10.837 -23.324 -10.191 1.00 4.11 H new ATOM 0 HD23 LEU A 52 -10.988 -23.078 -8.435 1.00 4.11 H new ATOM 849 N ILE A 53 -11.028 -27.272 -6.448 1.00 12.34 N ATOM 850 CA ILE A 53 -10.300 -27.555 -5.217 1.00 35.31 C ATOM 851 C ILE A 53 -9.946 -29.035 -5.116 1.00 74.11 C ATOM 852 O ILE A 53 -8.817 -29.392 -4.782 1.00 22.31 O ATOM 853 CB ILE A 53 -11.115 -27.148 -3.975 1.00 21.23 C ATOM 854 CG1 ILE A 53 -11.497 -25.668 -4.051 1.00 22.51 C ATOM 855 CG2 ILE A 53 -10.324 -27.432 -2.706 1.00 70.15 C ATOM 856 CD1 ILE A 53 -12.627 -25.288 -3.121 1.00 10.54 C ATOM 0 H ILE A 53 -11.936 -26.828 -6.309 1.00 12.34 H new ATOM 0 HA ILE A 53 -9.384 -26.966 -5.249 1.00 35.31 H new ATOM 0 HB ILE A 53 -12.030 -27.739 -3.949 1.00 21.23 H new ATOM 0 HG12 ILE A 53 -10.622 -25.063 -3.813 1.00 22.51 H new ATOM 0 HG13 ILE A 53 -11.783 -25.427 -5.075 1.00 22.51 H new ATOM 0 HG21 ILE A 53 -10.913 -27.139 -1.837 1.00 70.15 H new ATOM 0 HG22 ILE A 53 -10.098 -28.497 -2.649 1.00 70.15 H new ATOM 0 HG23 ILE A 53 -9.394 -26.864 -2.722 1.00 70.15 H new ATOM 0 HD11 ILE A 53 -12.844 -24.225 -3.228 1.00 10.54 H new ATOM 0 HD12 ILE A 53 -13.515 -25.867 -3.372 1.00 10.54 H new ATOM 0 HD13 ILE A 53 -12.337 -25.497 -2.091 1.00 10.54 H new ATOM 868 N SER A 54 -10.919 -29.892 -5.409 1.00 73.12 N ATOM 869 CA SER A 54 -10.711 -31.334 -5.350 1.00 33.11 C ATOM 870 C SER A 54 -9.569 -31.757 -6.269 1.00 11.50 C ATOM 871 O SER A 54 -8.870 -32.733 -6.000 1.00 4.15 O ATOM 872 CB SER A 54 -11.994 -32.072 -5.739 1.00 63.11 C ATOM 873 OG SER A 54 -12.160 -32.099 -7.146 1.00 43.12 O ATOM 0 H SER A 54 -11.859 -29.613 -5.690 1.00 73.12 H new ATOM 0 HA SER A 54 -10.446 -31.596 -4.326 1.00 33.11 H new ATOM 0 HB2 SER A 54 -11.962 -33.091 -5.354 1.00 63.11 H new ATOM 0 HB3 SER A 54 -12.852 -31.584 -5.278 1.00 63.11 H new ATOM 0 HG SER A 54 -11.901 -31.232 -7.523 1.00 43.12 H new ATOM 879 N SER A 55 -9.387 -31.013 -7.356 1.00 21.41 N ATOM 880 CA SER A 55 -8.333 -31.312 -8.318 1.00 5.01 C ATOM 881 C SER A 55 -6.961 -30.968 -7.745 1.00 50.52 C ATOM 882 O SER A 55 -5.955 -31.587 -8.096 1.00 14.53 O ATOM 883 CB SER A 55 -8.564 -30.538 -9.617 1.00 53.01 C ATOM 884 OG SER A 55 -7.350 -30.007 -10.118 1.00 3.32 O ATOM 0 H SER A 55 -9.955 -30.200 -7.592 1.00 21.41 H new ATOM 0 HA SER A 55 -8.362 -32.381 -8.530 1.00 5.01 H new ATOM 0 HB2 SER A 55 -9.011 -31.197 -10.362 1.00 53.01 H new ATOM 0 HB3 SER A 55 -9.273 -29.729 -9.441 1.00 53.01 H new ATOM 0 HG SER A 55 -7.525 -29.518 -10.949 1.00 3.32 H new ATOM 890 N LEU A 56 -6.928 -29.976 -6.862 1.00 50.31 N ATOM 891 CA LEU A 56 -5.680 -29.547 -6.239 1.00 74.12 C ATOM 892 C LEU A 56 -5.194 -30.580 -5.228 1.00 64.21 C ATOM 893 O LEU A 56 -4.063 -30.508 -4.746 1.00 51.12 O ATOM 894 CB LEU A 56 -5.869 -28.194 -5.552 1.00 13.41 C ATOM 895 CG LEU A 56 -5.255 -26.988 -6.264 1.00 10.23 C ATOM 896 CD1 LEU A 56 -3.743 -26.987 -6.104 1.00 64.10 C ATOM 897 CD2 LEU A 56 -5.638 -26.986 -7.737 1.00 23.14 C ATOM 0 H LEU A 56 -7.751 -29.454 -6.561 1.00 50.31 H new ATOM 0 HA LEU A 56 -4.927 -29.448 -7.021 1.00 74.12 H new ATOM 0 HB2 LEU A 56 -6.938 -28.015 -5.434 1.00 13.41 H new ATOM 0 HB3 LEU A 56 -5.443 -28.255 -4.550 1.00 13.41 H new ATOM 0 HG LEU A 56 -5.649 -26.081 -5.806 1.00 10.23 H new ATOM 0 HD11 LEU A 56 -3.323 -26.122 -6.617 1.00 64.10 H new ATOM 0 HD12 LEU A 56 -3.489 -26.939 -5.045 1.00 64.10 H new ATOM 0 HD13 LEU A 56 -3.331 -27.899 -6.535 1.00 64.10 H new ATOM 0 HD21 LEU A 56 -5.192 -26.121 -8.228 1.00 23.14 H new ATOM 0 HD22 LEU A 56 -5.274 -27.898 -8.209 1.00 23.14 H new ATOM 0 HD23 LEU A 56 -6.723 -26.937 -7.831 1.00 23.14 H new ATOM 909 N VAL A 57 -6.054 -31.543 -4.912 1.00 51.14 N ATOM 910 CA VAL A 57 -5.711 -32.593 -3.961 1.00 60.43 C ATOM 911 C VAL A 57 -5.886 -33.975 -4.582 1.00 13.05 C ATOM 912 O VAL A 57 -4.910 -34.634 -4.940 1.00 12.13 O ATOM 913 CB VAL A 57 -6.573 -32.501 -2.688 1.00 62.11 C ATOM 914 CG1 VAL A 57 -5.785 -31.860 -1.555 1.00 73.43 C ATOM 915 CG2 VAL A 57 -7.851 -31.725 -2.966 1.00 11.44 C ATOM 0 H VAL A 57 -6.994 -31.617 -5.301 1.00 51.14 H new ATOM 0 HA VAL A 57 -4.664 -32.448 -3.693 1.00 60.43 H new ATOM 0 HB VAL A 57 -6.848 -33.510 -2.381 1.00 62.11 H new ATOM 0 HG11 VAL A 57 -6.410 -31.803 -0.664 1.00 73.43 H new ATOM 0 HG12 VAL A 57 -4.901 -32.461 -1.341 1.00 73.43 H new ATOM 0 HG13 VAL A 57 -5.478 -30.856 -1.848 1.00 73.43 H new ATOM 0 HG21 VAL A 57 -8.448 -31.670 -2.056 1.00 11.44 H new ATOM 0 HG22 VAL A 57 -7.600 -30.717 -3.297 1.00 11.44 H new ATOM 0 HG23 VAL A 57 -8.422 -32.231 -3.744 1.00 11.44 H new ATOM 925 N TRP A 58 -7.136 -34.407 -4.706 1.00 21.03 N ATOM 926 CA TRP A 58 -7.440 -35.711 -5.284 1.00 25.33 C ATOM 927 C TRP A 58 -7.443 -35.644 -6.807 1.00 22.31 C ATOM 928 O TRP A 58 -6.507 -36.105 -7.459 1.00 72.23 O ATOM 929 CB TRP A 58 -8.794 -36.212 -4.780 1.00 71.40 C ATOM 930 CG TRP A 58 -8.783 -36.602 -3.333 1.00 3.43 C ATOM 931 CD1 TRP A 58 -9.205 -35.845 -2.277 1.00 73.02 C ATOM 932 CD2 TRP A 58 -8.324 -37.841 -2.782 1.00 60.12 C ATOM 933 NE1 TRP A 58 -9.037 -36.540 -1.104 1.00 0.44 N ATOM 934 CE2 TRP A 58 -8.499 -37.767 -1.386 1.00 62.14 C ATOM 935 CE3 TRP A 58 -7.785 -39.007 -3.332 1.00 43.15 C ATOM 936 CZ2 TRP A 58 -8.152 -38.814 -0.537 1.00 20.04 C ATOM 937 CZ3 TRP A 58 -7.441 -40.045 -2.488 1.00 4.14 C ATOM 938 CH2 TRP A 58 -7.626 -39.943 -1.102 1.00 61.54 C ATOM 0 H TRP A 58 -7.955 -33.874 -4.414 1.00 21.03 H new ATOM 0 HA TRP A 58 -6.663 -36.409 -4.972 1.00 25.33 H new ATOM 0 HB2 TRP A 58 -9.541 -35.433 -4.933 1.00 71.40 H new ATOM 0 HB3 TRP A 58 -9.101 -37.070 -5.378 1.00 71.40 H new ATOM 0 HD1 TRP A 58 -9.611 -34.847 -2.353 1.00 73.02 H new ATOM 0 HE1 TRP A 58 -9.275 -36.197 -0.173 1.00 0.44 H new ATOM 0 HE3 TRP A 58 -7.640 -39.095 -4.399 1.00 43.15 H new ATOM 0 HZ2 TRP A 58 -8.293 -38.737 0.531 1.00 20.04 H new ATOM 0 HZ3 TRP A 58 -7.023 -40.950 -2.903 1.00 4.14 H new ATOM 0 HH2 TRP A 58 -7.348 -40.772 -0.468 1.00 61.54 H new ATOM 949 N ASN A 59 -8.501 -35.067 -7.367 1.00 63.24 N ATOM 950 CA ASN A 59 -8.625 -34.941 -8.815 1.00 1.50 C ATOM 951 C ASN A 59 -9.924 -34.235 -9.190 1.00 14.52 C ATOM 952 O ASN A 59 -10.754 -33.942 -8.329 1.00 40.22 O ATOM 953 CB ASN A 59 -8.572 -36.320 -9.475 1.00 12.11 C ATOM 954 CG ASN A 59 -9.450 -37.334 -8.766 1.00 42.35 C ATOM 955 OD1 ASN A 59 -10.405 -36.972 -8.079 1.00 4.33 O ATOM 956 ND2 ASN A 59 -9.129 -38.612 -8.932 1.00 10.33 N ATOM 0 H ASN A 59 -9.284 -34.680 -6.841 1.00 63.24 H new ATOM 0 HA ASN A 59 -7.789 -34.341 -9.175 1.00 1.50 H new ATOM 0 HB2 ASN A 59 -8.887 -36.235 -10.515 1.00 12.11 H new ATOM 0 HB3 ASN A 59 -7.542 -36.677 -9.482 1.00 12.11 H new ATOM 0 HD21 ASN A 59 -9.683 -39.340 -8.481 1.00 10.33 H new ATOM 0 HD22 ASN A 59 -8.328 -38.866 -9.511 1.00 10.33 H new ATOM 963 N MET A 60 -10.094 -33.965 -10.480 1.00 0.30 N ATOM 964 CA MET A 60 -11.293 -33.295 -10.969 1.00 54.30 C ATOM 965 C MET A 60 -12.344 -34.311 -11.406 1.00 1.12 C ATOM 966 O MET A 60 -12.017 -35.344 -11.989 1.00 1.35 O ATOM 967 CB MET A 60 -10.946 -32.369 -12.136 1.00 53.23 C ATOM 968 CG MET A 60 -10.168 -33.056 -13.246 1.00 62.04 C ATOM 969 SD MET A 60 -10.020 -32.035 -14.725 1.00 64.44 S ATOM 970 CE MET A 60 -8.253 -31.744 -14.760 1.00 3.21 C ATOM 0 H MET A 60 -9.417 -34.200 -11.205 1.00 0.30 H new ATOM 0 HA MET A 60 -11.705 -32.701 -10.153 1.00 54.30 H new ATOM 0 HB2 MET A 60 -11.867 -31.958 -12.550 1.00 53.23 H new ATOM 0 HB3 MET A 60 -10.362 -31.528 -11.761 1.00 53.23 H new ATOM 0 HG2 MET A 60 -9.172 -33.310 -12.883 1.00 62.04 H new ATOM 0 HG3 MET A 60 -10.661 -33.993 -13.504 1.00 62.04 H new ATOM 0 HE1 MET A 60 -8.003 -31.125 -15.621 1.00 3.21 H new ATOM 0 HE2 MET A 60 -7.950 -31.233 -13.846 1.00 3.21 H new ATOM 0 HE3 MET A 60 -7.729 -32.697 -14.834 1.00 3.21 H new ATOM 980 N ASN A 61 -13.607 -34.010 -11.120 1.00 24.22 N ATOM 981 CA ASN A 61 -14.705 -34.899 -11.483 1.00 2.53 C ATOM 982 C ASN A 61 -16.051 -34.208 -11.286 1.00 1.21 C ATOM 983 O ASN A 61 -16.195 -33.339 -10.426 1.00 32.15 O ATOM 984 CB ASN A 61 -14.649 -36.179 -10.648 1.00 34.52 C ATOM 985 CG ASN A 61 -15.330 -37.348 -11.335 1.00 43.42 C ATOM 986 OD1 ASN A 61 -15.471 -37.366 -12.558 1.00 51.20 O ATOM 987 ND2 ASN A 61 -15.755 -38.330 -10.550 1.00 30.14 N ATOM 0 H ASN A 61 -13.895 -33.158 -10.638 1.00 24.22 H new ATOM 0 HA ASN A 61 -14.599 -35.156 -12.537 1.00 2.53 H new ATOM 0 HB2 ASN A 61 -13.608 -36.434 -10.449 1.00 34.52 H new ATOM 0 HB3 ASN A 61 -15.124 -36.001 -9.683 1.00 34.52 H new ATOM 0 HD21 ASN A 61 -16.220 -39.142 -10.956 1.00 30.14 H new ATOM 0 HD22 ASN A 61 -15.617 -38.273 -9.541 1.00 30.14 H new ATOM 994 N PHE A 62 -17.034 -34.601 -12.089 1.00 12.50 N ATOM 995 CA PHE A 62 -18.369 -34.019 -12.004 1.00 21.41 C ATOM 996 C PHE A 62 -19.283 -34.881 -11.137 1.00 2.51 C ATOM 997 O PHE A 62 -20.503 -34.870 -11.301 1.00 61.01 O ATOM 998 CB PHE A 62 -18.971 -33.865 -13.402 1.00 41.31 C ATOM 999 CG PHE A 62 -19.017 -35.148 -14.180 1.00 71.53 C ATOM 1000 CD1 PHE A 62 -20.093 -36.013 -14.053 1.00 44.20 C ATOM 1001 CD2 PHE A 62 -17.985 -35.491 -15.039 1.00 54.35 C ATOM 1002 CE1 PHE A 62 -20.137 -37.195 -14.767 1.00 71.14 C ATOM 1003 CE2 PHE A 62 -18.025 -36.672 -15.757 1.00 4.42 C ATOM 1004 CZ PHE A 62 -19.102 -37.524 -15.621 1.00 75.33 C ATOM 0 H PHE A 62 -16.932 -35.320 -12.806 1.00 12.50 H new ATOM 0 HA PHE A 62 -18.281 -33.035 -11.543 1.00 21.41 H new ATOM 0 HB2 PHE A 62 -19.982 -33.468 -13.312 1.00 41.31 H new ATOM 0 HB3 PHE A 62 -18.389 -33.132 -13.960 1.00 41.31 H new ATOM 0 HD1 PHE A 62 -20.906 -35.760 -13.388 1.00 44.20 H new ATOM 0 HD2 PHE A 62 -17.140 -34.828 -15.149 1.00 54.35 H new ATOM 0 HE1 PHE A 62 -20.980 -37.861 -14.658 1.00 71.14 H new ATOM 0 HE2 PHE A 62 -17.214 -36.927 -16.423 1.00 4.42 H new ATOM 0 HZ PHE A 62 -19.136 -38.447 -16.181 1.00 75.33 H new ATOM 1014 N ASP A 63 -18.683 -35.625 -10.215 1.00 34.25 N ATOM 1015 CA ASP A 63 -19.442 -36.492 -9.321 1.00 31.44 C ATOM 1016 C ASP A 63 -19.294 -36.041 -7.871 1.00 20.32 C ATOM 1017 O ASP A 63 -18.183 -35.824 -7.388 1.00 44.25 O ATOM 1018 CB ASP A 63 -18.978 -37.942 -9.466 1.00 62.45 C ATOM 1019 CG ASP A 63 -19.270 -38.508 -10.842 1.00 63.14 C ATOM 1020 OD1 ASP A 63 -20.343 -38.194 -11.398 1.00 14.10 O ATOM 1021 OD2 ASP A 63 -18.424 -39.264 -11.364 1.00 71.21 O ATOM 0 H ASP A 63 -17.674 -35.645 -10.067 1.00 34.25 H new ATOM 0 HA ASP A 63 -20.494 -36.426 -9.598 1.00 31.44 H new ATOM 0 HB2 ASP A 63 -17.907 -37.999 -9.273 1.00 62.45 H new ATOM 0 HB3 ASP A 63 -19.471 -38.555 -8.712 1.00 62.45 H new ATOM 1026 N SER A 64 -20.422 -35.902 -7.182 1.00 1.24 N ATOM 1027 CA SER A 64 -20.418 -35.472 -5.788 1.00 52.33 C ATOM 1028 C SER A 64 -19.602 -36.430 -4.926 1.00 74.21 C ATOM 1029 O SER A 64 -20.071 -37.510 -4.565 1.00 12.33 O ATOM 1030 CB SER A 64 -21.850 -35.382 -5.256 1.00 42.13 C ATOM 1031 OG SER A 64 -22.576 -36.564 -5.546 1.00 15.52 O ATOM 0 H SER A 64 -21.350 -36.081 -7.566 1.00 1.24 H new ATOM 0 HA SER A 64 -19.957 -34.485 -5.739 1.00 52.33 H new ATOM 0 HB2 SER A 64 -21.832 -35.218 -4.179 1.00 42.13 H new ATOM 0 HB3 SER A 64 -22.353 -34.524 -5.701 1.00 42.13 H new ATOM 0 HG SER A 64 -22.025 -37.346 -5.334 1.00 15.52 H new ATOM 1037 N ASP A 65 -18.379 -36.027 -4.600 1.00 71.54 N ATOM 1038 CA ASP A 65 -17.497 -36.849 -3.780 1.00 2.13 C ATOM 1039 C ASP A 65 -17.791 -36.647 -2.296 1.00 65.34 C ATOM 1040 O ASP A 65 -16.973 -36.095 -1.559 1.00 50.35 O ATOM 1041 CB ASP A 65 -16.034 -36.513 -4.073 1.00 23.42 C ATOM 1042 CG ASP A 65 -15.569 -37.065 -5.406 1.00 60.32 C ATOM 1043 OD1 ASP A 65 -15.726 -38.284 -5.632 1.00 11.24 O ATOM 1044 OD2 ASP A 65 -15.049 -36.279 -6.225 1.00 11.23 O ATOM 0 H ASP A 65 -17.976 -35.136 -4.891 1.00 71.54 H new ATOM 0 HA ASP A 65 -17.679 -37.894 -4.029 1.00 2.13 H new ATOM 0 HB2 ASP A 65 -15.904 -35.431 -4.066 1.00 23.42 H new ATOM 0 HB3 ASP A 65 -15.406 -36.914 -3.278 1.00 23.42 H new ATOM 1049 N THR A 66 -18.964 -37.098 -1.864 1.00 31.10 N ATOM 1050 CA THR A 66 -19.367 -36.965 -0.470 1.00 32.43 C ATOM 1051 C THR A 66 -19.005 -35.590 0.079 1.00 63.11 C ATOM 1052 O THR A 66 -18.700 -35.444 1.262 1.00 63.13 O ATOM 1053 CB THR A 66 -18.711 -38.046 0.410 1.00 3.11 C ATOM 1054 OG1 THR A 66 -19.264 -38.005 1.730 1.00 20.43 O ATOM 1055 CG2 THR A 66 -17.204 -37.845 0.480 1.00 74.53 C ATOM 0 H THR A 66 -19.652 -37.559 -2.460 1.00 31.10 H new ATOM 0 HA THR A 66 -20.449 -37.091 -0.441 1.00 32.43 H new ATOM 0 HB THR A 66 -18.912 -39.019 -0.038 1.00 3.11 H new ATOM 0 HG1 THR A 66 -19.357 -37.073 2.017 1.00 20.43 H new ATOM 0 HG21 THR A 66 -16.762 -38.620 1.107 1.00 74.53 H new ATOM 0 HG22 THR A 66 -16.782 -37.905 -0.523 1.00 74.53 H new ATOM 0 HG23 THR A 66 -16.987 -36.866 0.907 1.00 74.53 H new ATOM 1063 N ASN A 67 -19.041 -34.584 -0.789 1.00 2.35 N ATOM 1064 CA ASN A 67 -18.716 -33.219 -0.390 1.00 22.02 C ATOM 1065 C ASN A 67 -17.447 -33.187 0.456 1.00 24.13 C ATOM 1066 O ASN A 67 -17.370 -32.468 1.453 1.00 62.42 O ATOM 1067 CB ASN A 67 -19.878 -32.603 0.391 1.00 34.21 C ATOM 1068 CG ASN A 67 -21.199 -32.730 -0.343 1.00 14.40 C ATOM 1069 OD1 ASN A 67 -22.110 -33.423 0.110 1.00 12.23 O ATOM 1070 ND2 ASN A 67 -21.309 -32.058 -1.484 1.00 22.44 N ATOM 0 H ASN A 67 -19.292 -34.688 -1.772 1.00 2.35 H new ATOM 0 HA ASN A 67 -18.544 -32.634 -1.294 1.00 22.02 H new ATOM 0 HB2 ASN A 67 -19.957 -33.090 1.363 1.00 34.21 H new ATOM 0 HB3 ASN A 67 -19.669 -31.550 0.578 1.00 34.21 H new ATOM 0 HD21 ASN A 67 -22.174 -32.104 -2.022 1.00 22.44 H new ATOM 0 HD22 ASN A 67 -20.528 -31.496 -1.822 1.00 22.44 H new ATOM 1077 N VAL A 68 -16.452 -33.971 0.052 1.00 52.14 N ATOM 1078 CA VAL A 68 -15.185 -34.032 0.771 1.00 54.42 C ATOM 1079 C VAL A 68 -14.630 -32.635 1.025 1.00 14.41 C ATOM 1080 O VAL A 68 -13.953 -32.398 2.026 1.00 52.31 O ATOM 1081 CB VAL A 68 -14.139 -34.855 -0.004 1.00 0.50 C ATOM 1082 CG1 VAL A 68 -12.735 -34.526 0.481 1.00 52.10 C ATOM 1083 CG2 VAL A 68 -14.424 -36.342 0.133 1.00 74.53 C ATOM 0 H VAL A 68 -16.499 -34.573 -0.770 1.00 52.14 H new ATOM 0 HA VAL A 68 -15.385 -34.519 1.725 1.00 54.42 H new ATOM 0 HB VAL A 68 -14.204 -34.592 -1.060 1.00 0.50 H new ATOM 0 HG11 VAL A 68 -12.009 -35.117 -0.078 1.00 52.10 H new ATOM 0 HG12 VAL A 68 -12.536 -33.466 0.326 1.00 52.10 H new ATOM 0 HG13 VAL A 68 -12.653 -34.760 1.543 1.00 52.10 H new ATOM 0 HG21 VAL A 68 -13.675 -36.908 -0.421 1.00 74.53 H new ATOM 0 HG22 VAL A 68 -14.387 -36.624 1.185 1.00 74.53 H new ATOM 0 HG23 VAL A 68 -15.414 -36.561 -0.267 1.00 74.53 H new ATOM 1093 N ILE A 69 -14.922 -31.713 0.113 1.00 32.15 N ATOM 1094 CA ILE A 69 -14.454 -30.339 0.240 1.00 5.32 C ATOM 1095 C ILE A 69 -15.205 -29.601 1.343 1.00 22.23 C ATOM 1096 O ILE A 69 -14.601 -29.105 2.295 1.00 53.44 O ATOM 1097 CB ILE A 69 -14.615 -29.565 -1.081 1.00 52.35 C ATOM 1098 CG1 ILE A 69 -13.816 -30.243 -2.196 1.00 61.01 C ATOM 1099 CG2 ILE A 69 -14.171 -28.120 -0.907 1.00 64.32 C ATOM 1100 CD1 ILE A 69 -12.335 -30.338 -1.905 1.00 65.14 C ATOM 0 H ILE A 69 -15.480 -31.893 -0.721 1.00 32.15 H new ATOM 0 HA ILE A 69 -13.396 -30.389 0.496 1.00 5.32 H new ATOM 0 HB ILE A 69 -15.669 -29.569 -1.361 1.00 52.35 H new ATOM 0 HG12 ILE A 69 -14.212 -31.246 -2.357 1.00 61.01 H new ATOM 0 HG13 ILE A 69 -13.961 -29.690 -3.124 1.00 61.01 H new ATOM 0 HG21 ILE A 69 -14.291 -27.586 -1.850 1.00 64.32 H new ATOM 0 HG22 ILE A 69 -14.780 -27.642 -0.140 1.00 64.32 H new ATOM 0 HG23 ILE A 69 -13.123 -28.095 -0.607 1.00 64.32 H new ATOM 0 HD11 ILE A 69 -11.831 -30.829 -2.738 1.00 65.14 H new ATOM 0 HD12 ILE A 69 -11.925 -29.337 -1.773 1.00 65.14 H new ATOM 0 HD13 ILE A 69 -12.179 -30.917 -0.994 1.00 65.14 H new ATOM 1112 N ASP A 70 -16.525 -29.535 1.210 1.00 21.12 N ATOM 1113 CA ASP A 70 -17.360 -28.861 2.197 1.00 11.22 C ATOM 1114 C ASP A 70 -17.168 -29.473 3.581 1.00 5.02 C ATOM 1115 O ASP A 70 -17.195 -28.770 4.592 1.00 73.33 O ATOM 1116 CB ASP A 70 -18.832 -28.941 1.791 1.00 55.11 C ATOM 1117 CG ASP A 70 -19.706 -27.994 2.590 1.00 20.13 C ATOM 1118 OD1 ASP A 70 -19.529 -27.924 3.824 1.00 13.43 O ATOM 1119 OD2 ASP A 70 -20.567 -27.324 1.982 1.00 61.10 O ATOM 0 H ASP A 70 -17.040 -29.940 0.428 1.00 21.12 H new ATOM 0 HA ASP A 70 -17.058 -27.814 2.237 1.00 11.22 H new ATOM 0 HB2 ASP A 70 -18.926 -28.710 0.730 1.00 55.11 H new ATOM 0 HB3 ASP A 70 -19.188 -29.962 1.927 1.00 55.11 H new ATOM 1124 N VAL A 71 -16.973 -30.787 3.620 1.00 73.44 N ATOM 1125 CA VAL A 71 -16.776 -31.495 4.879 1.00 12.32 C ATOM 1126 C VAL A 71 -15.399 -31.202 5.464 1.00 61.42 C ATOM 1127 O VAL A 71 -15.224 -31.171 6.682 1.00 71.45 O ATOM 1128 CB VAL A 71 -16.933 -33.016 4.699 1.00 20.31 C ATOM 1129 CG1 VAL A 71 -16.688 -33.738 6.015 1.00 21.04 C ATOM 1130 CG2 VAL A 71 -18.312 -33.348 4.148 1.00 3.14 C ATOM 0 H VAL A 71 -16.947 -31.383 2.793 1.00 73.44 H new ATOM 0 HA VAL A 71 -17.543 -31.138 5.566 1.00 12.32 H new ATOM 0 HB VAL A 71 -16.188 -33.358 3.981 1.00 20.31 H new ATOM 0 HG11 VAL A 71 -16.803 -34.812 5.868 1.00 21.04 H new ATOM 0 HG12 VAL A 71 -15.677 -33.526 6.364 1.00 21.04 H new ATOM 0 HG13 VAL A 71 -17.408 -33.394 6.758 1.00 21.04 H new ATOM 0 HG21 VAL A 71 -18.405 -34.427 4.027 1.00 3.14 H new ATOM 0 HG22 VAL A 71 -19.076 -32.993 4.840 1.00 3.14 H new ATOM 0 HG23 VAL A 71 -18.444 -32.862 3.181 1.00 3.14 H new ATOM 1140 N ALA A 72 -14.423 -30.988 4.587 1.00 33.01 N ATOM 1141 CA ALA A 72 -13.061 -30.696 5.016 1.00 14.51 C ATOM 1142 C ALA A 72 -12.984 -29.340 5.710 1.00 45.33 C ATOM 1143 O ALA A 72 -12.231 -29.164 6.668 1.00 12.41 O ATOM 1144 CB ALA A 72 -12.113 -30.737 3.827 1.00 20.51 C ATOM 0 H ALA A 72 -14.551 -31.011 3.575 1.00 33.01 H new ATOM 0 HA ALA A 72 -12.760 -31.460 5.733 1.00 14.51 H new ATOM 0 HB1 ALA A 72 -11.099 -30.517 4.162 1.00 20.51 H new ATOM 0 HB2 ALA A 72 -12.139 -31.729 3.375 1.00 20.51 H new ATOM 0 HB3 ALA A 72 -12.421 -29.995 3.091 1.00 20.51 H new ATOM 1150 N VAL A 73 -13.765 -28.383 5.219 1.00 74.22 N ATOM 1151 CA VAL A 73 -13.785 -27.043 5.792 1.00 51.31 C ATOM 1152 C VAL A 73 -14.584 -27.012 7.090 1.00 3.22 C ATOM 1153 O VAL A 73 -14.220 -26.316 8.038 1.00 25.14 O ATOM 1154 CB VAL A 73 -14.385 -26.021 4.808 1.00 13.43 C ATOM 1155 CG1 VAL A 73 -14.220 -24.606 5.342 1.00 51.45 C ATOM 1156 CG2 VAL A 73 -13.742 -26.161 3.437 1.00 55.32 C ATOM 0 H VAL A 73 -14.392 -28.511 4.425 1.00 74.22 H new ATOM 0 HA VAL A 73 -12.750 -26.772 6.000 1.00 51.31 H new ATOM 0 HB VAL A 73 -15.451 -26.223 4.706 1.00 13.43 H new ATOM 0 HG11 VAL A 73 -14.650 -23.897 4.634 1.00 51.45 H new ATOM 0 HG12 VAL A 73 -14.732 -24.517 6.300 1.00 51.45 H new ATOM 0 HG13 VAL A 73 -13.160 -24.389 5.475 1.00 51.45 H new ATOM 0 HG21 VAL A 73 -14.178 -25.431 2.755 1.00 55.32 H new ATOM 0 HG22 VAL A 73 -12.669 -25.986 3.519 1.00 55.32 H new ATOM 0 HG23 VAL A 73 -13.917 -27.166 3.054 1.00 55.32 H new ATOM 1166 N ARG A 74 -15.674 -27.771 7.126 1.00 51.41 N ATOM 1167 CA ARG A 74 -16.525 -27.830 8.308 1.00 54.20 C ATOM 1168 C ARG A 74 -15.866 -28.651 9.412 1.00 1.23 C ATOM 1169 O ARG A 74 -15.951 -28.306 10.591 1.00 53.00 O ATOM 1170 CB ARG A 74 -17.886 -28.432 7.953 1.00 30.22 C ATOM 1171 CG ARG A 74 -18.727 -27.547 7.048 1.00 44.04 C ATOM 1172 CD ARG A 74 -19.309 -26.366 7.808 1.00 43.41 C ATOM 1173 NE ARG A 74 -20.333 -25.668 7.035 1.00 71.41 N ATOM 1174 CZ ARG A 74 -21.583 -26.100 6.914 1.00 74.22 C ATOM 1175 NH1 ARG A 74 -21.962 -27.221 7.512 1.00 11.04 N ATOM 1176 NH2 ARG A 74 -22.458 -25.410 6.193 1.00 31.11 N ATOM 0 H ARG A 74 -15.989 -28.354 6.350 1.00 51.41 H new ATOM 0 HA ARG A 74 -16.669 -26.813 8.672 1.00 54.20 H new ATOM 0 HB2 ARG A 74 -17.732 -29.394 7.464 1.00 30.22 H new ATOM 0 HB3 ARG A 74 -18.439 -28.626 8.872 1.00 30.22 H new ATOM 0 HG2 ARG A 74 -18.115 -27.184 6.222 1.00 44.04 H new ATOM 0 HG3 ARG A 74 -19.535 -28.134 6.612 1.00 44.04 H new ATOM 0 HD2 ARG A 74 -19.739 -26.715 8.747 1.00 43.41 H new ATOM 0 HD3 ARG A 74 -18.510 -25.670 8.063 1.00 43.41 H new ATOM 0 HE ARG A 74 -20.074 -24.802 6.563 1.00 71.41 H new ATOM 0 HH11 ARG A 74 -21.293 -27.754 8.067 1.00 11.04 H new ATOM 0 HH12 ARG A 74 -22.923 -27.550 7.417 1.00 11.04 H new ATOM 0 HH21 ARG A 74 -22.171 -24.547 5.731 1.00 31.11 H new ATOM 0 HH22 ARG A 74 -23.418 -25.743 6.101 1.00 31.11 H new ATOM 1190 N ARG A 75 -15.209 -29.738 9.022 1.00 33.40 N ATOM 1191 CA ARG A 75 -14.537 -30.609 9.979 1.00 71.34 C ATOM 1192 C ARG A 75 -13.333 -29.908 10.600 1.00 41.31 C ATOM 1193 O ARG A 75 -13.082 -30.027 11.800 1.00 52.00 O ATOM 1194 CB ARG A 75 -14.091 -31.904 9.296 1.00 5.41 C ATOM 1195 CG ARG A 75 -12.888 -31.727 8.384 1.00 62.34 C ATOM 1196 CD ARG A 75 -12.495 -33.038 7.721 1.00 64.14 C ATOM 1197 NE ARG A 75 -11.979 -34.006 8.685 1.00 71.20 N ATOM 1198 CZ ARG A 75 -11.644 -35.252 8.368 1.00 33.03 C ATOM 1199 NH1 ARG A 75 -11.770 -35.679 7.119 1.00 2.42 N ATOM 1200 NH2 ARG A 75 -11.182 -36.074 9.302 1.00 52.11 N ATOM 0 H ARG A 75 -15.128 -30.037 8.050 1.00 33.40 H new ATOM 0 HA ARG A 75 -15.244 -30.850 10.773 1.00 71.34 H new ATOM 0 HB2 ARG A 75 -13.852 -32.644 10.060 1.00 5.41 H new ATOM 0 HB3 ARG A 75 -14.922 -32.303 8.714 1.00 5.41 H new ATOM 0 HG2 ARG A 75 -13.116 -30.985 7.619 1.00 62.34 H new ATOM 0 HG3 ARG A 75 -12.046 -31.343 8.960 1.00 62.34 H new ATOM 0 HD2 ARG A 75 -13.361 -33.460 7.211 1.00 64.14 H new ATOM 0 HD3 ARG A 75 -11.739 -32.847 6.959 1.00 64.14 H new ATOM 0 HE ARG A 75 -11.870 -33.709 9.655 1.00 71.20 H new ATOM 0 HH11 ARG A 75 -12.125 -35.050 6.398 1.00 2.42 H new ATOM 0 HH12 ARG A 75 -11.512 -36.636 6.879 1.00 2.42 H new ATOM 0 HH21 ARG A 75 -11.084 -35.749 10.264 1.00 52.11 H new ATOM 0 HH22 ARG A 75 -10.925 -37.030 9.058 1.00 52.11 H new ATOM 1214 N LEU A 76 -12.591 -29.177 9.776 1.00 44.34 N ATOM 1215 CA LEU A 76 -11.412 -28.456 10.243 1.00 1.35 C ATOM 1216 C LEU A 76 -11.811 -27.233 11.063 1.00 12.03 C ATOM 1217 O LEU A 76 -11.126 -26.862 12.017 1.00 75.12 O ATOM 1218 CB LEU A 76 -10.547 -28.028 9.056 1.00 11.25 C ATOM 1219 CG LEU A 76 -10.857 -26.654 8.461 1.00 4.44 C ATOM 1220 CD1 LEU A 76 -10.161 -25.559 9.256 1.00 60.04 C ATOM 1221 CD2 LEU A 76 -10.441 -26.600 6.999 1.00 62.04 C ATOM 0 H LEU A 76 -12.785 -29.068 8.781 1.00 44.34 H new ATOM 0 HA LEU A 76 -10.836 -29.127 10.881 1.00 1.35 H new ATOM 0 HB2 LEU A 76 -9.503 -28.039 9.370 1.00 11.25 H new ATOM 0 HB3 LEU A 76 -10.651 -28.775 8.269 1.00 11.25 H new ATOM 0 HG LEU A 76 -11.933 -26.489 8.518 1.00 4.44 H new ATOM 0 HD11 LEU A 76 -10.393 -24.588 8.818 1.00 60.04 H new ATOM 0 HD12 LEU A 76 -10.507 -25.583 10.289 1.00 60.04 H new ATOM 0 HD13 LEU A 76 -9.083 -25.720 9.231 1.00 60.04 H new ATOM 0 HD21 LEU A 76 -10.669 -25.615 6.592 1.00 62.04 H new ATOM 0 HD22 LEU A 76 -9.370 -26.787 6.918 1.00 62.04 H new ATOM 0 HD23 LEU A 76 -10.985 -27.359 6.438 1.00 62.04 H new ATOM 1233 N ARG A 77 -12.924 -26.612 10.687 1.00 74.23 N ATOM 1234 CA ARG A 77 -13.416 -25.432 11.388 1.00 65.04 C ATOM 1235 C ARG A 77 -13.786 -25.770 12.829 1.00 62.43 C ATOM 1236 O ARG A 77 -13.429 -25.046 13.758 1.00 30.52 O ATOM 1237 CB ARG A 77 -14.629 -24.850 10.661 1.00 14.43 C ATOM 1238 CG ARG A 77 -15.125 -23.542 11.256 1.00 15.22 C ATOM 1239 CD ARG A 77 -16.186 -23.780 12.320 1.00 63.42 C ATOM 1240 NE ARG A 77 -17.430 -23.078 12.019 1.00 34.21 N ATOM 1241 CZ ARG A 77 -18.360 -23.550 11.196 1.00 42.15 C ATOM 1242 NH1 ARG A 77 -18.186 -24.719 10.594 1.00 1.40 N ATOM 1243 NH2 ARG A 77 -19.466 -22.852 10.972 1.00 32.25 N ATOM 0 H ARG A 77 -13.503 -26.907 9.900 1.00 74.23 H new ATOM 0 HA ARG A 77 -12.618 -24.689 11.401 1.00 65.04 H new ATOM 0 HB2 ARG A 77 -14.372 -24.689 9.614 1.00 14.43 H new ATOM 0 HB3 ARG A 77 -15.439 -25.579 10.682 1.00 14.43 H new ATOM 0 HG2 ARG A 77 -14.287 -22.998 11.692 1.00 15.22 H new ATOM 0 HG3 ARG A 77 -15.536 -22.914 10.465 1.00 15.22 H new ATOM 0 HD2 ARG A 77 -16.384 -24.849 12.402 1.00 63.42 H new ATOM 0 HD3 ARG A 77 -15.809 -23.450 13.288 1.00 63.42 H new ATOM 0 HE ARG A 77 -17.594 -22.176 12.465 1.00 34.21 H new ATOM 0 HH11 ARG A 77 -17.337 -25.258 10.762 1.00 1.40 H new ATOM 0 HH12 ARG A 77 -18.902 -25.079 9.963 1.00 1.40 H new ATOM 0 HH21 ARG A 77 -19.603 -21.952 11.432 1.00 32.25 H new ATOM 0 HH22 ARG A 77 -20.179 -23.216 10.340 1.00 32.25 H new ATOM 1257 N SER A 78 -14.504 -26.875 13.006 1.00 2.21 N ATOM 1258 CA SER A 78 -14.926 -27.307 14.333 1.00 33.02 C ATOM 1259 C SER A 78 -13.793 -28.030 15.055 1.00 34.13 C ATOM 1260 O SER A 78 -13.951 -28.479 16.191 1.00 52.40 O ATOM 1261 CB SER A 78 -16.147 -28.223 14.230 1.00 71.23 C ATOM 1262 OG SER A 78 -16.988 -28.082 15.361 1.00 14.41 O ATOM 0 H SER A 78 -14.805 -27.487 12.247 1.00 2.21 H new ATOM 0 HA SER A 78 -15.193 -26.421 14.909 1.00 33.02 H new ATOM 0 HB2 SER A 78 -16.707 -27.987 13.325 1.00 71.23 H new ATOM 0 HB3 SER A 78 -15.821 -29.260 14.142 1.00 71.23 H new ATOM 0 HG SER A 78 -16.463 -28.218 16.178 1.00 14.41 H new ATOM 1268 N LYS A 79 -12.650 -28.140 14.388 1.00 43.32 N ATOM 1269 CA LYS A 79 -11.488 -28.807 14.964 1.00 51.42 C ATOM 1270 C LYS A 79 -10.661 -27.834 15.798 1.00 25.11 C ATOM 1271 O LYS A 79 -9.997 -28.233 16.756 1.00 44.35 O ATOM 1272 CB LYS A 79 -10.621 -29.412 13.857 1.00 10.34 C ATOM 1273 CG LYS A 79 -10.769 -30.917 13.724 1.00 62.42 C ATOM 1274 CD LYS A 79 -10.071 -31.438 12.478 1.00 1.14 C ATOM 1275 CE LYS A 79 -10.146 -32.955 12.390 1.00 4.53 C ATOM 1276 NZ LYS A 79 -9.108 -33.611 13.233 1.00 43.13 N ATOM 0 H LYS A 79 -12.503 -27.776 13.447 1.00 43.32 H new ATOM 0 HA LYS A 79 -11.844 -29.605 15.615 1.00 51.42 H new ATOM 0 HB2 LYS A 79 -10.880 -28.944 12.907 1.00 10.34 H new ATOM 0 HB3 LYS A 79 -9.576 -29.174 14.054 1.00 10.34 H new ATOM 0 HG2 LYS A 79 -10.353 -31.404 14.606 1.00 62.42 H new ATOM 0 HG3 LYS A 79 -11.827 -31.178 13.686 1.00 62.42 H new ATOM 0 HD2 LYS A 79 -10.529 -30.998 11.592 1.00 1.14 H new ATOM 0 HD3 LYS A 79 -9.027 -31.124 12.486 1.00 1.14 H new ATOM 0 HE2 LYS A 79 -11.134 -33.289 12.706 1.00 4.53 H new ATOM 0 HE3 LYS A 79 -10.021 -33.265 11.353 1.00 4.53 H new ATOM 0 HZ1 LYS A 79 -9.192 -34.644 13.146 1.00 43.13 H new ATOM 0 HZ2 LYS A 79 -8.164 -33.312 12.916 1.00 43.13 H new ATOM 0 HZ3 LYS A 79 -9.243 -33.335 14.227 1.00 43.13 H new ATOM 1290 N ILE A 80 -10.706 -26.558 15.430 1.00 71.34 N ATOM 1291 CA ILE A 80 -9.962 -25.530 16.146 1.00 15.32 C ATOM 1292 C ILE A 80 -10.750 -24.225 16.209 1.00 22.31 C ATOM 1293 O ILE A 80 -10.812 -23.576 17.253 1.00 53.40 O ATOM 1294 CB ILE A 80 -8.597 -25.261 15.488 1.00 44.54 C ATOM 1295 CG1 ILE A 80 -7.883 -24.107 16.195 1.00 13.41 C ATOM 1296 CG2 ILE A 80 -8.773 -24.954 14.008 1.00 53.40 C ATOM 1297 CD1 ILE A 80 -7.660 -24.348 17.672 1.00 73.55 C ATOM 0 H ILE A 80 -11.250 -26.212 14.640 1.00 71.34 H new ATOM 0 HA ILE A 80 -9.801 -25.904 17.157 1.00 15.32 H new ATOM 0 HB ILE A 80 -7.983 -26.156 15.583 1.00 44.54 H new ATOM 0 HG12 ILE A 80 -6.920 -23.937 15.714 1.00 13.41 H new ATOM 0 HG13 ILE A 80 -8.468 -23.196 16.068 1.00 13.41 H new ATOM 0 HG21 ILE A 80 -7.799 -24.766 13.557 1.00 53.40 H new ATOM 0 HG22 ILE A 80 -9.244 -25.804 13.514 1.00 53.40 H new ATOM 0 HG23 ILE A 80 -9.403 -24.072 13.892 1.00 53.40 H new ATOM 0 HD11 ILE A 80 -7.149 -23.489 18.108 1.00 73.55 H new ATOM 0 HD12 ILE A 80 -8.621 -24.488 18.167 1.00 73.55 H new ATOM 0 HD13 ILE A 80 -7.049 -25.240 17.807 1.00 73.55 H new ATOM 1309 N ASP A 81 -11.351 -23.849 15.086 1.00 42.13 N ATOM 1310 CA ASP A 81 -12.137 -22.623 15.013 1.00 35.11 C ATOM 1311 C ASP A 81 -13.395 -22.733 15.870 1.00 40.13 C ATOM 1312 O ASP A 81 -14.031 -21.728 16.189 1.00 44.14 O ATOM 1313 CB ASP A 81 -12.518 -22.321 13.563 1.00 70.21 C ATOM 1314 CG ASP A 81 -11.935 -21.010 13.072 1.00 33.42 C ATOM 1315 OD1 ASP A 81 -10.701 -20.841 13.160 1.00 54.43 O ATOM 1316 OD2 ASP A 81 -12.713 -20.154 12.602 1.00 73.04 O ATOM 0 H ASP A 81 -11.309 -24.376 14.213 1.00 42.13 H new ATOM 0 HA ASP A 81 -11.527 -21.806 15.397 1.00 35.11 H new ATOM 0 HB2 ASP A 81 -12.171 -23.132 12.923 1.00 70.21 H new ATOM 0 HB3 ASP A 81 -13.604 -22.288 13.475 1.00 70.21 H new ATOM 1321 N ASP A 82 -13.748 -23.959 16.238 1.00 74.41 N ATOM 1322 CA ASP A 82 -14.930 -24.201 17.058 1.00 52.14 C ATOM 1323 C ASP A 82 -14.925 -23.309 18.295 1.00 24.01 C ATOM 1324 O ASP A 82 -15.980 -22.930 18.804 1.00 43.32 O ATOM 1325 CB ASP A 82 -14.997 -25.671 17.474 1.00 63.24 C ATOM 1326 CG ASP A 82 -16.421 -26.183 17.568 1.00 42.55 C ATOM 1327 OD1 ASP A 82 -17.355 -25.378 17.365 1.00 21.25 O ATOM 1328 OD2 ASP A 82 -16.601 -27.387 17.842 1.00 34.12 O ATOM 0 H ASP A 82 -13.233 -24.801 15.982 1.00 74.41 H new ATOM 0 HA ASP A 82 -15.810 -23.960 16.462 1.00 52.14 H new ATOM 0 HB2 ASP A 82 -14.444 -26.275 16.754 1.00 63.24 H new ATOM 0 HB3 ASP A 82 -14.505 -25.795 18.439 1.00 63.24 H new ATOM 1333 N ASP A 83 -13.731 -22.979 18.775 1.00 64.12 N ATOM 1334 CA ASP A 83 -13.587 -22.132 19.953 1.00 15.21 C ATOM 1335 C ASP A 83 -12.347 -21.251 19.841 1.00 13.52 C ATOM 1336 O ASP A 83 -11.565 -21.138 20.786 1.00 73.54 O ATOM 1337 CB ASP A 83 -13.507 -22.989 21.217 1.00 1.12 C ATOM 1338 CG ASP A 83 -13.776 -22.189 22.477 1.00 64.40 C ATOM 1339 OD1 ASP A 83 -14.712 -21.363 22.466 1.00 23.24 O ATOM 1340 OD2 ASP A 83 -13.049 -22.389 23.473 1.00 31.22 O ATOM 0 H ASP A 83 -12.848 -23.286 18.366 1.00 64.12 H new ATOM 0 HA ASP A 83 -14.464 -21.487 20.016 1.00 15.21 H new ATOM 0 HB2 ASP A 83 -14.228 -23.804 21.146 1.00 1.12 H new ATOM 0 HB3 ASP A 83 -12.518 -23.443 21.283 1.00 1.12 H new ATOM 1345 N PHE A 84 -12.173 -20.628 18.680 1.00 11.44 N ATOM 1346 CA PHE A 84 -11.027 -19.758 18.444 1.00 3.20 C ATOM 1347 C PHE A 84 -11.438 -18.518 17.656 1.00 52.14 C ATOM 1348 O PHE A 84 -11.007 -17.406 17.959 1.00 63.14 O ATOM 1349 CB PHE A 84 -9.932 -20.515 17.690 1.00 23.31 C ATOM 1350 CG PHE A 84 -8.868 -21.082 18.587 1.00 14.30 C ATOM 1351 CD1 PHE A 84 -9.166 -22.098 19.481 1.00 55.50 C ATOM 1352 CD2 PHE A 84 -7.571 -20.599 18.536 1.00 42.22 C ATOM 1353 CE1 PHE A 84 -8.190 -22.620 20.308 1.00 40.21 C ATOM 1354 CE2 PHE A 84 -6.590 -21.118 19.360 1.00 1.41 C ATOM 1355 CZ PHE A 84 -6.900 -22.130 20.247 1.00 61.25 C ATOM 0 H PHE A 84 -12.811 -20.710 17.888 1.00 11.44 H new ATOM 0 HA PHE A 84 -10.639 -19.440 19.412 1.00 3.20 H new ATOM 0 HB2 PHE A 84 -10.387 -21.326 17.122 1.00 23.31 H new ATOM 0 HB3 PHE A 84 -9.467 -19.843 16.969 1.00 23.31 H new ATOM 0 HD1 PHE A 84 -10.173 -22.486 19.532 1.00 55.50 H new ATOM 0 HD2 PHE A 84 -7.323 -19.808 17.844 1.00 42.22 H new ATOM 0 HE1 PHE A 84 -8.436 -23.411 21.002 1.00 40.21 H new ATOM 0 HE2 PHE A 84 -5.582 -20.733 19.310 1.00 1.41 H new ATOM 0 HZ PHE A 84 -6.135 -22.538 20.892 1.00 61.25 H new ATOM 1365 N GLU A 85 -12.275 -18.719 16.642 1.00 11.13 N ATOM 1366 CA GLU A 85 -12.744 -17.618 15.809 1.00 4.54 C ATOM 1367 C GLU A 85 -14.223 -17.782 15.472 1.00 44.05 C ATOM 1368 O GLU A 85 -14.789 -18.871 15.565 1.00 14.13 O ATOM 1369 CB GLU A 85 -11.921 -17.537 14.522 1.00 41.22 C ATOM 1370 CG GLU A 85 -10.712 -16.622 14.628 1.00 33.11 C ATOM 1371 CD GLU A 85 -9.675 -16.899 13.557 1.00 54.32 C ATOM 1372 OE1 GLU A 85 -9.948 -16.601 12.375 1.00 11.33 O ATOM 1373 OE2 GLU A 85 -8.591 -17.413 13.901 1.00 65.21 O ATOM 0 H GLU A 85 -12.642 -19.634 16.378 1.00 11.13 H new ATOM 0 HA GLU A 85 -12.619 -16.692 16.370 1.00 4.54 H new ATOM 0 HB2 GLU A 85 -11.586 -18.538 14.252 1.00 41.22 H new ATOM 0 HB3 GLU A 85 -12.562 -17.186 13.713 1.00 41.22 H new ATOM 0 HG2 GLU A 85 -11.038 -15.585 14.553 1.00 33.11 H new ATOM 0 HG3 GLU A 85 -10.255 -16.742 15.610 1.00 33.11 H new ATOM 1380 N PRO A 86 -14.864 -16.675 15.069 1.00 2.32 N ATOM 1381 CA PRO A 86 -16.285 -16.669 14.709 1.00 22.41 C ATOM 1382 C PRO A 86 -16.556 -17.417 13.408 1.00 20.43 C ATOM 1383 O PRO A 86 -15.656 -18.029 12.832 1.00 31.23 O ATOM 1384 CB PRO A 86 -16.604 -15.181 14.547 1.00 71.22 C ATOM 1385 CG PRO A 86 -15.299 -14.549 14.205 1.00 52.11 C ATOM 1386 CD PRO A 86 -14.251 -15.343 14.934 1.00 3.42 C ATOM 0 HA PRO A 86 -16.897 -17.171 15.458 1.00 22.41 H new ATOM 0 HB2 PRO A 86 -17.341 -15.017 13.761 1.00 71.22 H new ATOM 0 HB3 PRO A 86 -17.018 -14.763 15.464 1.00 71.22 H new ATOM 0 HG2 PRO A 86 -15.126 -14.569 13.129 1.00 52.11 H new ATOM 0 HG3 PRO A 86 -15.280 -13.503 14.511 1.00 52.11 H new ATOM 0 HD2 PRO A 86 -13.317 -15.385 14.374 1.00 3.42 H new ATOM 0 HD3 PRO A 86 -14.020 -14.907 15.906 1.00 3.42 H new ATOM 1394 N LYS A 87 -17.802 -17.364 12.949 1.00 22.34 N ATOM 1395 CA LYS A 87 -18.192 -18.035 11.715 1.00 32.00 C ATOM 1396 C LYS A 87 -17.712 -17.254 10.496 1.00 70.00 C ATOM 1397 O LYS A 87 -18.371 -16.314 10.049 1.00 22.01 O ATOM 1398 CB LYS A 87 -19.712 -18.203 11.660 1.00 14.53 C ATOM 1399 CG LYS A 87 -20.323 -18.649 12.977 1.00 0.15 C ATOM 1400 CD LYS A 87 -19.702 -19.945 13.469 1.00 23.51 C ATOM 1401 CE LYS A 87 -20.734 -20.839 14.140 1.00 2.21 C ATOM 1402 NZ LYS A 87 -20.095 -21.902 14.964 1.00 31.20 N ATOM 0 H LYS A 87 -18.559 -16.863 13.414 1.00 22.34 H new ATOM 0 HA LYS A 87 -17.723 -19.019 11.702 1.00 32.00 H new ATOM 0 HB2 LYS A 87 -20.163 -17.257 11.362 1.00 14.53 H new ATOM 0 HB3 LYS A 87 -19.961 -18.932 10.888 1.00 14.53 H new ATOM 0 HG2 LYS A 87 -20.183 -17.870 13.726 1.00 0.15 H new ATOM 0 HG3 LYS A 87 -21.398 -18.783 12.854 1.00 0.15 H new ATOM 0 HD2 LYS A 87 -19.251 -20.475 12.630 1.00 23.51 H new ATOM 0 HD3 LYS A 87 -18.900 -19.721 14.173 1.00 23.51 H new ATOM 0 HE2 LYS A 87 -21.385 -20.233 14.770 1.00 2.21 H new ATOM 0 HE3 LYS A 87 -21.365 -21.299 13.380 1.00 2.21 H new ATOM 0 HZ1 LYS A 87 -20.831 -22.490 15.404 1.00 31.20 H new ATOM 0 HZ2 LYS A 87 -19.494 -22.496 14.358 1.00 31.20 H new ATOM 0 HZ3 LYS A 87 -19.513 -21.463 15.706 1.00 31.20 H new ATOM 1416 N LEU A 88 -16.562 -17.649 9.961 1.00 30.33 N ATOM 1417 CA LEU A 88 -15.994 -16.987 8.792 1.00 32.11 C ATOM 1418 C LEU A 88 -16.298 -17.773 7.520 1.00 3.33 C ATOM 1419 O LEU A 88 -15.856 -17.404 6.431 1.00 35.24 O ATOM 1420 CB LEU A 88 -14.482 -16.826 8.957 1.00 50.11 C ATOM 1421 CG LEU A 88 -14.023 -15.983 10.147 1.00 43.30 C ATOM 1422 CD1 LEU A 88 -12.517 -15.772 10.102 1.00 13.23 C ATOM 1423 CD2 LEU A 88 -14.750 -14.646 10.166 1.00 31.21 C ATOM 0 H LEU A 88 -16.004 -18.425 10.318 1.00 30.33 H new ATOM 0 HA LEU A 88 -16.451 -16.001 8.706 1.00 32.11 H new ATOM 0 HB2 LEU A 88 -14.039 -17.818 9.047 1.00 50.11 H new ATOM 0 HB3 LEU A 88 -14.083 -16.380 8.046 1.00 50.11 H new ATOM 0 HG LEU A 88 -14.267 -16.520 11.064 1.00 43.30 H new ATOM 0 HD11 LEU A 88 -12.208 -15.170 10.957 1.00 13.23 H new ATOM 0 HD12 LEU A 88 -12.013 -16.738 10.138 1.00 13.23 H new ATOM 0 HD13 LEU A 88 -12.249 -15.257 9.180 1.00 13.23 H new ATOM 0 HD21 LEU A 88 -14.411 -14.059 11.020 1.00 31.21 H new ATOM 0 HD22 LEU A 88 -14.537 -14.103 9.245 1.00 31.21 H new ATOM 0 HD23 LEU A 88 -15.824 -14.817 10.247 1.00 31.21 H new ATOM 1435 N ILE A 89 -17.055 -18.855 7.666 1.00 2.21 N ATOM 1436 CA ILE A 89 -17.420 -19.690 6.529 1.00 40.14 C ATOM 1437 C ILE A 89 -18.706 -19.196 5.875 1.00 71.53 C ATOM 1438 O ILE A 89 -19.704 -18.948 6.552 1.00 1.42 O ATOM 1439 CB ILE A 89 -17.601 -21.161 6.946 1.00 72.43 C ATOM 1440 CG1 ILE A 89 -16.302 -21.710 7.539 1.00 42.21 C ATOM 1441 CG2 ILE A 89 -18.041 -21.999 5.755 1.00 71.25 C ATOM 1442 CD1 ILE A 89 -16.400 -23.155 7.976 1.00 3.42 C ATOM 0 H ILE A 89 -17.427 -19.174 8.560 1.00 2.21 H new ATOM 0 HA ILE A 89 -16.602 -19.623 5.812 1.00 40.14 H new ATOM 0 HB ILE A 89 -18.377 -21.213 7.709 1.00 72.43 H new ATOM 0 HG12 ILE A 89 -15.506 -21.616 6.800 1.00 42.21 H new ATOM 0 HG13 ILE A 89 -16.016 -21.099 8.395 1.00 42.21 H new ATOM 0 HG21 ILE A 89 -18.165 -23.036 6.066 1.00 71.25 H new ATOM 0 HG22 ILE A 89 -18.989 -21.619 5.373 1.00 71.25 H new ATOM 0 HG23 ILE A 89 -17.285 -21.943 4.971 1.00 71.25 H new ATOM 0 HD11 ILE A 89 -15.443 -23.477 8.386 1.00 3.42 H new ATOM 0 HD12 ILE A 89 -17.173 -23.253 8.738 1.00 3.42 H new ATOM 0 HD13 ILE A 89 -16.655 -23.778 7.119 1.00 3.42 H new ATOM 1454 N HIS A 90 -18.676 -19.059 4.553 1.00 55.41 N ATOM 1455 CA HIS A 90 -19.841 -18.597 3.806 1.00 33.21 C ATOM 1456 C HIS A 90 -19.956 -19.329 2.472 1.00 13.03 C ATOM 1457 O HIS A 90 -19.050 -19.273 1.640 1.00 0.53 O ATOM 1458 CB HIS A 90 -19.756 -17.089 3.568 1.00 32.31 C ATOM 1459 CG HIS A 90 -20.333 -16.273 4.684 1.00 74.34 C ATOM 1460 ND1 HIS A 90 -19.756 -16.191 5.933 1.00 65.11 N ATOM 1461 CD2 HIS A 90 -21.443 -15.499 4.732 1.00 24.11 C ATOM 1462 CE1 HIS A 90 -20.485 -15.403 6.702 1.00 33.11 C ATOM 1463 NE2 HIS A 90 -21.515 -14.970 5.997 1.00 3.31 N ATOM 0 H HIS A 90 -17.859 -19.261 3.977 1.00 55.41 H new ATOM 0 HA HIS A 90 -20.730 -18.814 4.398 1.00 33.21 H new ATOM 0 HB2 HIS A 90 -18.712 -16.810 3.427 1.00 32.31 H new ATOM 0 HB3 HIS A 90 -20.279 -16.845 2.643 1.00 32.31 H new ATOM 0 HD2 HIS A 90 -22.141 -15.329 3.926 1.00 24.11 H new ATOM 0 HE1 HIS A 90 -20.275 -15.155 7.732 1.00 33.11 H new ATOM 0 HE2 HIS A 90 -22.245 -14.344 6.337 1.00 3.31 H new ATOM 1471 N THR A 91 -21.077 -20.017 2.275 1.00 44.03 N ATOM 1472 CA THR A 91 -21.309 -20.761 1.044 1.00 74.44 C ATOM 1473 C THR A 91 -22.616 -20.337 0.383 1.00 42.31 C ATOM 1474 O THR A 91 -23.701 -20.622 0.889 1.00 21.15 O ATOM 1475 CB THR A 91 -21.349 -22.279 1.304 1.00 65.13 C ATOM 1476 OG1 THR A 91 -20.087 -22.721 1.818 1.00 12.30 O ATOM 1477 CG2 THR A 91 -21.675 -23.039 0.027 1.00 53.31 C ATOM 0 H THR A 91 -21.838 -20.074 2.952 1.00 44.03 H new ATOM 0 HA THR A 91 -20.477 -20.535 0.377 1.00 74.44 H new ATOM 0 HB THR A 91 -22.131 -22.479 2.037 1.00 65.13 H new ATOM 0 HG1 THR A 91 -19.810 -23.536 1.350 1.00 12.30 H new ATOM 0 HG21 THR A 91 -21.698 -24.109 0.236 1.00 53.31 H new ATOM 0 HG22 THR A 91 -22.648 -22.722 -0.347 1.00 53.31 H new ATOM 0 HG23 THR A 91 -20.913 -22.832 -0.724 1.00 53.31 H new ATOM 1485 N VAL A 92 -22.505 -19.653 -0.752 1.00 21.40 N ATOM 1486 CA VAL A 92 -23.678 -19.191 -1.484 1.00 12.35 C ATOM 1487 C VAL A 92 -24.475 -20.364 -2.044 1.00 4.15 C ATOM 1488 O VAL A 92 -23.903 -21.339 -2.532 1.00 1.22 O ATOM 1489 CB VAL A 92 -23.285 -18.253 -2.640 1.00 44.12 C ATOM 1490 CG1 VAL A 92 -24.522 -17.630 -3.268 1.00 34.04 C ATOM 1491 CG2 VAL A 92 -22.326 -17.178 -2.151 1.00 51.41 C ATOM 0 H VAL A 92 -21.614 -19.407 -1.184 1.00 21.40 H new ATOM 0 HA VAL A 92 -24.297 -18.642 -0.775 1.00 12.35 H new ATOM 0 HB VAL A 92 -22.777 -18.841 -3.404 1.00 44.12 H new ATOM 0 HG11 VAL A 92 -24.223 -16.970 -4.083 1.00 34.04 H new ATOM 0 HG12 VAL A 92 -25.168 -18.417 -3.656 1.00 34.04 H new ATOM 0 HG13 VAL A 92 -25.062 -17.055 -2.515 1.00 34.04 H new ATOM 0 HG21 VAL A 92 -22.059 -16.524 -2.981 1.00 51.41 H new ATOM 0 HG22 VAL A 92 -22.806 -16.592 -1.367 1.00 51.41 H new ATOM 0 HG23 VAL A 92 -21.426 -17.647 -1.754 1.00 51.41 H new ATOM 1501 N ARG A 93 -25.798 -20.263 -1.970 1.00 3.31 N ATOM 1502 CA ARG A 93 -26.673 -21.316 -2.469 1.00 35.01 C ATOM 1503 C ARG A 93 -26.729 -21.300 -3.994 1.00 13.43 C ATOM 1504 O ARG A 93 -27.737 -20.913 -4.584 1.00 71.31 O ATOM 1505 CB ARG A 93 -28.082 -21.152 -1.895 1.00 21.44 C ATOM 1506 CG ARG A 93 -29.040 -22.259 -2.306 1.00 4.32 C ATOM 1507 CD ARG A 93 -30.489 -21.846 -2.100 1.00 43.13 C ATOM 1508 NE ARG A 93 -30.815 -21.680 -0.687 1.00 35.34 N ATOM 1509 CZ ARG A 93 -31.938 -21.119 -0.253 1.00 13.53 C ATOM 1510 NH1 ARG A 93 -32.837 -20.671 -1.119 1.00 32.15 N ATOM 1511 NH2 ARG A 93 -32.164 -21.004 1.050 1.00 41.22 N ATOM 0 H ARG A 93 -26.287 -19.463 -1.569 1.00 3.31 H new ATOM 0 HA ARG A 93 -26.266 -22.275 -2.148 1.00 35.01 H new ATOM 0 HB2 ARG A 93 -28.021 -21.121 -0.807 1.00 21.44 H new ATOM 0 HB3 ARG A 93 -28.488 -20.193 -2.218 1.00 21.44 H new ATOM 0 HG2 ARG A 93 -28.878 -22.512 -3.354 1.00 4.32 H new ATOM 0 HG3 ARG A 93 -28.830 -23.157 -1.725 1.00 4.32 H new ATOM 0 HD2 ARG A 93 -30.678 -20.911 -2.628 1.00 43.13 H new ATOM 0 HD3 ARG A 93 -31.146 -22.598 -2.538 1.00 43.13 H new ATOM 0 HE ARG A 93 -30.144 -22.013 0.005 1.00 35.34 H new ATOM 0 HH11 ARG A 93 -32.667 -20.757 -2.121 1.00 32.15 H new ATOM 0 HH12 ARG A 93 -33.699 -20.241 -0.783 1.00 32.15 H new ATOM 0 HH21 ARG A 93 -31.475 -21.347 1.719 1.00 41.22 H new ATOM 0 HH22 ARG A 93 -33.027 -20.573 1.382 1.00 41.22 H new ATOM 1525 N GLY A 94 -25.638 -21.722 -4.625 1.00 50.45 N ATOM 1526 CA GLY A 94 -25.583 -21.747 -6.075 1.00 53.35 C ATOM 1527 C GLY A 94 -24.305 -21.140 -6.618 1.00 43.30 C ATOM 1528 O GLY A 94 -24.314 -20.482 -7.658 1.00 75.32 O ATOM 0 H GLY A 94 -24.791 -22.047 -4.158 1.00 50.45 H new ATOM 0 HA2 GLY A 94 -25.668 -22.777 -6.421 1.00 53.35 H new ATOM 0 HA3 GLY A 94 -26.439 -21.204 -6.477 1.00 53.35 H new ATOM 1532 N ALA A 95 -23.201 -21.359 -5.911 1.00 0.11 N ATOM 1533 CA ALA A 95 -21.909 -20.829 -6.328 1.00 2.11 C ATOM 1534 C ALA A 95 -20.791 -21.829 -6.054 1.00 62.21 C ATOM 1535 O ALA A 95 -20.228 -22.414 -6.978 1.00 63.14 O ATOM 1536 CB ALA A 95 -21.626 -19.512 -5.621 1.00 43.42 C ATOM 0 H ALA A 95 -23.176 -21.900 -5.047 1.00 0.11 H new ATOM 0 HA ALA A 95 -21.947 -20.651 -7.403 1.00 2.11 H new ATOM 0 HB1 ALA A 95 -20.658 -19.128 -5.942 1.00 43.42 H new ATOM 0 HB2 ALA A 95 -22.404 -18.790 -5.871 1.00 43.42 H new ATOM 0 HB3 ALA A 95 -21.613 -19.673 -4.543 1.00 43.42 H new ATOM 1542 N GLY A 96 -20.474 -22.021 -4.777 1.00 44.40 N ATOM 1543 CA GLY A 96 -19.423 -22.950 -4.405 1.00 33.31 C ATOM 1544 C GLY A 96 -19.016 -22.813 -2.951 1.00 60.23 C ATOM 1545 O GLY A 96 -19.680 -23.344 -2.061 1.00 1.15 O ATOM 0 H GLY A 96 -20.926 -21.550 -3.994 1.00 44.40 H new ATOM 0 HA2 GLY A 96 -19.761 -23.970 -4.590 1.00 33.31 H new ATOM 0 HA3 GLY A 96 -18.553 -22.783 -5.040 1.00 33.31 H new ATOM 1549 N TYR A 97 -17.921 -22.101 -2.710 1.00 61.12 N ATOM 1550 CA TYR A 97 -17.423 -21.899 -1.355 1.00 34.44 C ATOM 1551 C TYR A 97 -16.534 -20.662 -1.279 1.00 14.20 C ATOM 1552 O TYR A 97 -15.721 -20.412 -2.169 1.00 10.24 O ATOM 1553 CB TYR A 97 -16.645 -23.130 -0.886 1.00 45.24 C ATOM 1554 CG TYR A 97 -16.950 -23.534 0.538 1.00 11.12 C ATOM 1555 CD1 TYR A 97 -16.287 -22.943 1.606 1.00 22.15 C ATOM 1556 CD2 TYR A 97 -17.903 -24.506 0.816 1.00 73.22 C ATOM 1557 CE1 TYR A 97 -16.562 -23.310 2.909 1.00 14.04 C ATOM 1558 CE2 TYR A 97 -18.186 -24.878 2.116 1.00 75.32 C ATOM 1559 CZ TYR A 97 -17.513 -24.278 3.159 1.00 11.30 C ATOM 1560 OH TYR A 97 -17.792 -24.645 4.456 1.00 45.14 O ATOM 0 H TYR A 97 -17.361 -21.654 -3.436 1.00 61.12 H new ATOM 0 HA TYR A 97 -18.281 -21.748 -0.699 1.00 34.44 H new ATOM 0 HB2 TYR A 97 -16.871 -23.966 -1.548 1.00 45.24 H new ATOM 0 HB3 TYR A 97 -15.577 -22.931 -0.977 1.00 45.24 H new ATOM 0 HD1 TYR A 97 -15.544 -22.183 1.414 1.00 22.15 H new ATOM 0 HD2 TYR A 97 -18.432 -24.979 0.002 1.00 73.22 H new ATOM 0 HE1 TYR A 97 -16.036 -22.842 3.728 1.00 14.04 H new ATOM 0 HE2 TYR A 97 -18.931 -25.635 2.314 1.00 75.32 H new ATOM 0 HH TYR A 97 -18.486 -25.337 4.458 1.00 45.14 H new ATOM 1570 N VAL A 98 -16.696 -19.890 -0.209 1.00 4.12 N ATOM 1571 CA VAL A 98 -15.908 -18.679 -0.014 1.00 44.21 C ATOM 1572 C VAL A 98 -15.825 -18.308 1.462 1.00 32.35 C ATOM 1573 O VAL A 98 -16.632 -18.763 2.274 1.00 35.11 O ATOM 1574 CB VAL A 98 -16.499 -17.492 -0.798 1.00 33.14 C ATOM 1575 CG1 VAL A 98 -17.750 -16.968 -0.109 1.00 73.01 C ATOM 1576 CG2 VAL A 98 -15.464 -16.388 -0.954 1.00 35.15 C ATOM 0 H VAL A 98 -17.366 -20.082 0.536 1.00 4.12 H new ATOM 0 HA VAL A 98 -14.907 -18.890 -0.389 1.00 44.21 H new ATOM 0 HB VAL A 98 -16.779 -17.839 -1.793 1.00 33.14 H new ATOM 0 HG11 VAL A 98 -18.154 -16.130 -0.677 1.00 73.01 H new ATOM 0 HG12 VAL A 98 -18.495 -17.762 -0.054 1.00 73.01 H new ATOM 0 HG13 VAL A 98 -17.499 -16.636 0.898 1.00 73.01 H new ATOM 0 HG21 VAL A 98 -15.899 -15.558 -1.510 1.00 35.15 H new ATOM 0 HG22 VAL A 98 -15.151 -16.041 0.031 1.00 35.15 H new ATOM 0 HG23 VAL A 98 -14.599 -16.773 -1.494 1.00 35.15 H new ATOM 1586 N LEU A 99 -14.845 -17.480 1.805 1.00 51.42 N ATOM 1587 CA LEU A 99 -14.657 -17.046 3.185 1.00 24.20 C ATOM 1588 C LEU A 99 -14.952 -15.557 3.333 1.00 23.13 C ATOM 1589 O LEU A 99 -14.769 -14.783 2.395 1.00 54.52 O ATOM 1590 CB LEU A 99 -13.227 -17.343 3.643 1.00 54.43 C ATOM 1591 CG LEU A 99 -12.143 -17.237 2.569 1.00 14.15 C ATOM 1592 CD1 LEU A 99 -12.108 -15.834 1.983 1.00 74.35 C ATOM 1593 CD2 LEU A 99 -10.785 -17.610 3.145 1.00 60.21 C ATOM 0 H LEU A 99 -14.168 -17.095 1.146 1.00 51.42 H new ATOM 0 HA LEU A 99 -15.356 -17.599 3.813 1.00 24.20 H new ATOM 0 HB2 LEU A 99 -12.976 -16.658 4.453 1.00 54.43 H new ATOM 0 HB3 LEU A 99 -13.202 -18.350 4.058 1.00 54.43 H new ATOM 0 HG LEU A 99 -12.381 -17.937 1.768 1.00 14.15 H new ATOM 0 HD11 LEU A 99 -11.331 -15.777 1.221 1.00 74.35 H new ATOM 0 HD12 LEU A 99 -13.074 -15.603 1.534 1.00 74.35 H new ATOM 0 HD13 LEU A 99 -11.894 -15.115 2.774 1.00 74.35 H new ATOM 0 HD21 LEU A 99 -10.025 -17.529 2.367 1.00 60.21 H new ATOM 0 HD22 LEU A 99 -10.539 -16.934 3.964 1.00 60.21 H new ATOM 0 HD23 LEU A 99 -10.816 -18.634 3.517 1.00 60.21 H new ATOM 1605 N GLU A 100 -15.406 -15.164 4.519 1.00 35.32 N ATOM 1606 CA GLU A 100 -15.725 -13.767 4.790 1.00 71.41 C ATOM 1607 C GLU A 100 -15.876 -13.524 6.289 1.00 62.32 C ATOM 1608 O GLU A 100 -16.045 -14.464 7.067 1.00 44.04 O ATOM 1609 CB GLU A 100 -17.011 -13.365 4.065 1.00 41.31 C ATOM 1610 CG GLU A 100 -17.083 -11.884 3.731 1.00 35.13 C ATOM 1611 CD GLU A 100 -15.946 -11.431 2.836 1.00 32.34 C ATOM 1612 OE1 GLU A 100 -15.515 -12.229 1.977 1.00 0.50 O ATOM 1613 OE2 GLU A 100 -15.487 -10.281 2.995 1.00 14.11 O ATOM 0 H GLU A 100 -15.561 -15.793 5.307 1.00 35.32 H new ATOM 0 HA GLU A 100 -14.902 -13.155 4.422 1.00 71.41 H new ATOM 0 HB2 GLU A 100 -17.094 -13.941 3.144 1.00 41.31 H new ATOM 0 HB3 GLU A 100 -17.867 -13.631 4.686 1.00 41.31 H new ATOM 0 HG2 GLU A 100 -18.033 -11.672 3.240 1.00 35.13 H new ATOM 0 HG3 GLU A 100 -17.065 -11.306 4.655 1.00 35.13 H new ATOM 1620 N ILE A 101 -15.813 -12.258 6.686 1.00 11.11 N ATOM 1621 CA ILE A 101 -15.943 -11.891 8.091 1.00 71.12 C ATOM 1622 C ILE A 101 -16.904 -10.720 8.267 1.00 73.54 C ATOM 1623 O ILE A 101 -17.354 -10.122 7.290 1.00 54.43 O ATOM 1624 CB ILE A 101 -14.580 -11.518 8.704 1.00 72.34 C ATOM 1625 CG1 ILE A 101 -14.237 -10.061 8.389 1.00 44.10 C ATOM 1626 CG2 ILE A 101 -13.494 -12.448 8.185 1.00 62.34 C ATOM 1627 CD1 ILE A 101 -14.250 -9.743 6.910 1.00 4.32 C ATOM 0 H ILE A 101 -15.673 -11.469 6.055 1.00 11.11 H new ATOM 0 HA ILE A 101 -16.339 -12.764 8.610 1.00 71.12 H new ATOM 0 HB ILE A 101 -14.641 -11.631 9.786 1.00 72.34 H new ATOM 0 HG12 ILE A 101 -14.948 -9.411 8.898 1.00 44.10 H new ATOM 0 HG13 ILE A 101 -13.251 -9.833 8.793 1.00 44.10 H new ATOM 0 HG21 ILE A 101 -12.537 -12.172 8.627 1.00 62.34 H new ATOM 0 HG22 ILE A 101 -13.736 -13.476 8.455 1.00 62.34 H new ATOM 0 HG23 ILE A 101 -13.430 -12.363 7.100 1.00 62.34 H new ATOM 0 HD11 ILE A 101 -13.998 -8.693 6.761 1.00 4.32 H new ATOM 0 HD12 ILE A 101 -13.519 -10.368 6.397 1.00 4.32 H new ATOM 0 HD13 ILE A 101 -15.243 -9.939 6.504 1.00 4.32 H new ATOM 1639 N ARG A 102 -17.213 -10.399 9.518 1.00 12.54 N ATOM 1640 CA ARG A 102 -18.121 -9.299 9.823 1.00 44.32 C ATOM 1641 C ARG A 102 -17.343 -8.029 10.155 1.00 10.51 C ATOM 1642 O ARG A 102 -17.842 -6.919 9.972 1.00 11.24 O ATOM 1643 CB ARG A 102 -19.034 -9.671 10.992 1.00 25.33 C ATOM 1644 CG ARG A 102 -20.258 -10.470 10.578 1.00 34.42 C ATOM 1645 CD ARG A 102 -21.341 -10.424 11.645 1.00 2.33 C ATOM 1646 NE ARG A 102 -22.318 -11.497 11.481 1.00 0.40 N ATOM 1647 CZ ARG A 102 -23.318 -11.453 10.608 1.00 41.44 C ATOM 1648 NH1 ARG A 102 -23.471 -10.395 9.823 1.00 14.45 N ATOM 1649 NH2 ARG A 102 -24.166 -12.469 10.517 1.00 54.30 N ATOM 0 H ARG A 102 -16.848 -10.885 10.338 1.00 12.54 H new ATOM 0 HA ARG A 102 -18.732 -9.110 8.940 1.00 44.32 H new ATOM 0 HB2 ARG A 102 -18.463 -10.248 11.719 1.00 25.33 H new ATOM 0 HB3 ARG A 102 -19.358 -8.759 11.493 1.00 25.33 H new ATOM 0 HG2 ARG A 102 -20.652 -10.075 9.641 1.00 34.42 H new ATOM 0 HG3 ARG A 102 -19.972 -11.505 10.393 1.00 34.42 H new ATOM 0 HD2 ARG A 102 -20.882 -10.500 12.631 1.00 2.33 H new ATOM 0 HD3 ARG A 102 -21.850 -9.461 11.603 1.00 2.33 H new ATOM 0 HE ARG A 102 -22.227 -12.326 12.069 1.00 0.40 H new ATOM 0 HH11 ARG A 102 -22.820 -9.613 9.889 1.00 14.45 H new ATOM 0 HH12 ARG A 102 -24.240 -10.364 9.153 1.00 14.45 H new ATOM 0 HH21 ARG A 102 -24.050 -13.285 11.118 1.00 54.30 H new ATOM 0 HH22 ARG A 102 -24.934 -12.434 9.846 1.00 54.30 H new ATOM 1663 N GLU A 103 -16.119 -8.201 10.644 1.00 10.14 N ATOM 1664 CA GLU A 103 -15.274 -7.068 11.003 1.00 20.13 C ATOM 1665 C GLU A 103 -15.182 -6.072 9.851 1.00 5.32 C ATOM 1666 O GLU A 103 -15.024 -4.871 10.068 1.00 43.25 O ATOM 1667 CB GLU A 103 -13.874 -7.550 11.389 1.00 1.21 C ATOM 1668 CG GLU A 103 -12.870 -6.423 11.565 1.00 65.21 C ATOM 1669 CD GLU A 103 -13.248 -5.474 12.685 1.00 23.14 C ATOM 1670 OE1 GLU A 103 -12.891 -5.756 13.848 1.00 3.22 O ATOM 1671 OE2 GLU A 103 -13.901 -4.449 12.399 1.00 42.15 O ATOM 0 H GLU A 103 -15.691 -9.113 10.801 1.00 10.14 H new ATOM 0 HA GLU A 103 -15.726 -6.566 11.859 1.00 20.13 H new ATOM 0 HB2 GLU A 103 -13.937 -8.117 12.318 1.00 1.21 H new ATOM 0 HB3 GLU A 103 -13.510 -8.233 10.622 1.00 1.21 H new ATOM 0 HG2 GLU A 103 -11.887 -6.846 11.769 1.00 65.21 H new ATOM 0 HG3 GLU A 103 -12.789 -5.865 10.632 1.00 65.21 H new ATOM 1678 N GLU A 104 -15.280 -6.581 8.627 1.00 14.30 N ATOM 1679 CA GLU A 104 -15.206 -5.736 7.441 1.00 54.31 C ATOM 1680 C GLU A 104 -16.185 -4.569 7.542 1.00 20.11 C ATOM 1681 O GLU A 104 -17.067 -4.559 8.399 1.00 35.45 O ATOM 1682 CB GLU A 104 -15.502 -6.556 6.184 1.00 72.23 C ATOM 1683 CG GLU A 104 -15.639 -5.715 4.926 1.00 12.30 C ATOM 1684 CD GLU A 104 -14.351 -5.006 4.555 1.00 20.00 C ATOM 1685 OE1 GLU A 104 -13.339 -5.700 4.322 1.00 2.35 O ATOM 1686 OE2 GLU A 104 -14.355 -3.759 4.497 1.00 3.34 O ATOM 0 H GLU A 104 -15.411 -7.573 8.431 1.00 14.30 H new ATOM 0 HA GLU A 104 -14.195 -5.335 7.375 1.00 54.31 H new ATOM 0 HB2 GLU A 104 -14.704 -7.284 6.039 1.00 72.23 H new ATOM 0 HB3 GLU A 104 -16.423 -7.119 6.336 1.00 72.23 H new ATOM 0 HG2 GLU A 104 -15.949 -6.353 4.099 1.00 12.30 H new ATOM 0 HG3 GLU A 104 -16.427 -4.976 5.071 1.00 12.30 H new