USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 841 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 ASN : amide:sc= 1.19 K(o=1.3,f=-1.1) USER MOD Set 1.2: A 92 GLN : amide:sc= 0.118 K(o=1.3,f=-0.53) USER MOD Set 1.3: A 93 SER OG : rot 160:sc= 0.00363 USER MOD Set 2.1: A 23 TYR OH : rot 30:sc= 0.655 USER MOD Set 2.2: A 47 LYS NZ :NH3+ 166:sc= 0.737 (180deg=-0.00987) USER MOD Set 3.1: A 14 CYS SG : rot 97:sc= 0.644 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.18 X(o=0.46,f=0.21) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0.218 (180deg=0.184) USER MOD Single : A 21 THR OG1 : rot 32:sc= 0.0983 USER MOD Single : A 22 THR OG1 : rot 170:sc= -0.414 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= 0.629 (180deg=0.258) USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= -1.84! (180deg=-3.85!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot 4:sc= -3.91! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.619) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= -0.303 (180deg=-0.344!) USER MOD Single : A 63 LYS NZ :NH3+ -127:sc= 0.145 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= -0.198 (180deg=-0.224) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 0.585 (180deg=0.527) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 73:sc= 0.217 USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 5 5.712 -16.238 -6.115 1.00 75.33 N ATOM 60 CA GLU A 5 4.275 -16.566 -6.071 1.00 24.24 C ATOM 61 C GLU A 5 3.398 -15.304 -5.936 1.00 22.24 C ATOM 62 O GLU A 5 2.755 -14.904 -6.906 1.00 5.22 O ATOM 63 CB GLU A 5 3.939 -17.646 -4.992 1.00 60.21 C ATOM 64 CG GLU A 5 2.475 -18.152 -5.032 1.00 53.23 C ATOM 65 CD GLU A 5 2.209 -19.351 -4.099 1.00 2.22 C ATOM 66 OE1 GLU A 5 2.248 -19.176 -2.866 1.00 31.40 O ATOM 67 OE2 GLU A 5 1.967 -20.478 -4.598 1.00 52.03 O ATOM 0 HA GLU A 5 4.029 -17.016 -7.033 1.00 24.24 H new ATOM 0 HB2 GLU A 5 4.609 -18.496 -5.124 1.00 60.21 H new ATOM 0 HB3 GLU A 5 4.141 -17.231 -4.004 1.00 60.21 H new ATOM 0 HG2 GLU A 5 1.809 -17.334 -4.757 1.00 53.23 H new ATOM 0 HG3 GLU A 5 2.226 -18.436 -6.054 1.00 53.23 H new ATOM 74 N LEU A 6 3.400 -14.660 -4.757 1.00 2.04 N ATOM 75 CA LEU A 6 2.581 -13.460 -4.516 1.00 43.25 C ATOM 76 C LEU A 6 3.483 -12.217 -4.613 1.00 11.31 C ATOM 77 O LEU A 6 4.176 -11.876 -3.646 1.00 43.13 O ATOM 78 CB LEU A 6 1.886 -13.526 -3.119 1.00 52.22 C ATOM 79 CG LEU A 6 1.079 -14.836 -2.777 1.00 61.21 C ATOM 80 CD1 LEU A 6 2.000 -15.943 -2.237 1.00 44.21 C ATOM 81 CD2 LEU A 6 -0.062 -14.568 -1.781 1.00 50.44 C ATOM 0 H LEU A 6 3.960 -14.950 -3.955 1.00 2.04 H new ATOM 0 HA LEU A 6 1.795 -13.404 -5.269 1.00 43.25 H new ATOM 0 HB2 LEU A 6 2.651 -13.391 -2.354 1.00 52.22 H new ATOM 0 HB3 LEU A 6 1.204 -12.679 -3.040 1.00 52.22 H new ATOM 0 HG LEU A 6 0.637 -15.178 -3.713 1.00 61.21 H new ATOM 0 HD11 LEU A 6 1.409 -16.831 -2.012 1.00 44.21 H new ATOM 0 HD12 LEU A 6 2.752 -16.188 -2.987 1.00 44.21 H new ATOM 0 HD13 LEU A 6 2.493 -15.596 -1.329 1.00 44.21 H new ATOM 0 HD21 LEU A 6 -0.591 -15.499 -1.574 1.00 50.44 H new ATOM 0 HD22 LEU A 6 0.351 -14.171 -0.853 1.00 50.44 H new ATOM 0 HD23 LEU A 6 -0.756 -13.844 -2.208 1.00 50.44 H new ATOM 93 N ARG A 7 3.477 -11.547 -5.781 1.00 41.24 N ATOM 94 CA ARG A 7 4.324 -10.368 -6.034 1.00 51.14 C ATOM 95 C ARG A 7 3.605 -9.108 -5.568 1.00 1.45 C ATOM 96 O ARG A 7 2.533 -8.771 -6.087 1.00 44.40 O ATOM 97 CB ARG A 7 4.681 -10.255 -7.540 1.00 30.23 C ATOM 98 CG ARG A 7 5.714 -9.159 -7.906 1.00 64.12 C ATOM 99 CD ARG A 7 5.999 -9.106 -9.418 1.00 54.22 C ATOM 100 NE ARG A 7 7.137 -8.219 -9.749 1.00 35.23 N ATOM 101 CZ ARG A 7 8.303 -8.622 -10.294 1.00 22.54 C ATOM 102 NH1 ARG A 7 8.519 -9.908 -10.580 1.00 74.14 N ATOM 103 NH2 ARG A 7 9.251 -7.731 -10.565 1.00 73.13 N ATOM 0 H ARG A 7 2.887 -11.807 -6.572 1.00 41.24 H new ATOM 0 HA ARG A 7 5.252 -10.481 -5.474 1.00 51.14 H new ATOM 0 HB2 ARG A 7 5.066 -11.218 -7.876 1.00 30.23 H new ATOM 0 HB3 ARG A 7 3.764 -10.065 -8.098 1.00 30.23 H new ATOM 0 HG2 ARG A 7 5.344 -8.189 -7.574 1.00 64.12 H new ATOM 0 HG3 ARG A 7 6.644 -9.346 -7.370 1.00 64.12 H new ATOM 0 HD2 ARG A 7 6.209 -10.112 -9.780 1.00 54.22 H new ATOM 0 HD3 ARG A 7 5.108 -8.759 -9.941 1.00 54.22 H new ATOM 0 HE ARG A 7 7.031 -7.224 -9.549 1.00 35.23 H new ATOM 0 HH11 ARG A 7 7.797 -10.602 -10.387 1.00 74.14 H new ATOM 0 HH12 ARG A 7 9.406 -10.197 -10.992 1.00 74.14 H new ATOM 0 HH21 ARG A 7 9.096 -6.744 -10.361 1.00 73.13 H new ATOM 0 HH22 ARG A 7 10.133 -8.034 -10.977 1.00 73.13 H new ATOM 117 N VAL A 8 4.194 -8.427 -4.575 1.00 32.31 N ATOM 118 CA VAL A 8 3.686 -7.143 -4.083 1.00 74.45 C ATOM 119 C VAL A 8 4.495 -6.023 -4.729 1.00 23.34 C ATOM 120 O VAL A 8 5.716 -5.997 -4.601 1.00 31.41 O ATOM 121 CB VAL A 8 3.786 -6.981 -2.520 1.00 52.43 C ATOM 122 CG1 VAL A 8 3.038 -5.708 -2.066 1.00 40.35 C ATOM 123 CG2 VAL A 8 3.266 -8.223 -1.770 1.00 11.51 C ATOM 0 H VAL A 8 5.033 -8.751 -4.093 1.00 32.31 H new ATOM 0 HA VAL A 8 2.629 -7.099 -4.345 1.00 74.45 H new ATOM 0 HB VAL A 8 4.841 -6.880 -2.267 1.00 52.43 H new ATOM 0 HG11 VAL A 8 3.115 -5.608 -0.983 1.00 40.35 H new ATOM 0 HG12 VAL A 8 3.482 -4.835 -2.544 1.00 40.35 H new ATOM 0 HG13 VAL A 8 1.988 -5.782 -2.350 1.00 40.35 H new ATOM 0 HG21 VAL A 8 3.356 -8.063 -0.696 1.00 11.51 H new ATOM 0 HG22 VAL A 8 2.220 -8.391 -2.026 1.00 11.51 H new ATOM 0 HG23 VAL A 8 3.854 -9.094 -2.057 1.00 11.51 H new ATOM 133 N GLU A 9 3.811 -5.135 -5.443 1.00 71.52 N ATOM 134 CA GLU A 9 4.396 -3.907 -5.989 1.00 54.22 C ATOM 135 C GLU A 9 3.753 -2.708 -5.291 1.00 71.00 C ATOM 136 O GLU A 9 2.603 -2.377 -5.573 1.00 31.23 O ATOM 137 CB GLU A 9 4.173 -3.831 -7.527 1.00 14.20 C ATOM 138 CG GLU A 9 5.009 -4.832 -8.337 1.00 55.43 C ATOM 139 CD GLU A 9 4.799 -4.679 -9.848 1.00 22.34 C ATOM 140 OE1 GLU A 9 5.437 -3.790 -10.466 1.00 51.31 O ATOM 141 OE2 GLU A 9 3.967 -5.416 -10.423 1.00 4.23 O ATOM 0 H GLU A 9 2.821 -5.246 -5.664 1.00 71.52 H new ATOM 0 HA GLU A 9 5.471 -3.902 -5.811 1.00 54.22 H new ATOM 0 HB2 GLU A 9 3.117 -4.002 -7.738 1.00 14.20 H new ATOM 0 HB3 GLU A 9 4.406 -2.822 -7.867 1.00 14.20 H new ATOM 0 HG2 GLU A 9 6.065 -4.693 -8.103 1.00 55.43 H new ATOM 0 HG3 GLU A 9 4.747 -5.847 -8.037 1.00 55.43 H new ATOM 148 N ILE A 10 4.463 -2.090 -4.335 1.00 20.12 N ATOM 149 CA ILE A 10 4.026 -0.813 -3.756 1.00 41.42 C ATOM 150 C ILE A 10 4.724 0.284 -4.576 1.00 23.35 C ATOM 151 O ILE A 10 5.947 0.429 -4.509 1.00 23.32 O ATOM 152 CB ILE A 10 4.424 -0.687 -2.235 1.00 33.05 C ATOM 153 CG1 ILE A 10 3.878 -1.893 -1.397 1.00 43.14 C ATOM 154 CG2 ILE A 10 3.952 0.667 -1.644 1.00 3.44 C ATOM 155 CD1 ILE A 10 2.363 -2.023 -1.348 1.00 44.22 C ATOM 0 H ILE A 10 5.336 -2.451 -3.950 1.00 20.12 H new ATOM 0 HA ILE A 10 2.940 -0.731 -3.796 1.00 41.42 H new ATOM 0 HB ILE A 10 5.512 -0.715 -2.177 1.00 33.05 H new ATOM 0 HG12 ILE A 10 4.291 -2.815 -1.807 1.00 43.14 H new ATOM 0 HG13 ILE A 10 4.251 -1.802 -0.377 1.00 43.14 H new ATOM 0 HG21 ILE A 10 4.240 0.726 -0.594 1.00 3.44 H new ATOM 0 HG22 ILE A 10 4.416 1.486 -2.194 1.00 3.44 H new ATOM 0 HG23 ILE A 10 2.868 0.742 -1.727 1.00 3.44 H new ATOM 0 HD11 ILE A 10 2.091 -2.888 -0.743 1.00 44.22 H new ATOM 0 HD12 ILE A 10 1.935 -1.123 -0.907 1.00 44.22 H new ATOM 0 HD13 ILE A 10 1.976 -2.151 -2.359 1.00 44.22 H new ATOM 167 N LYS A 11 3.955 1.052 -5.349 1.00 3.14 N ATOM 168 CA LYS A 11 4.511 1.960 -6.359 1.00 60.34 C ATOM 169 C LYS A 11 4.203 3.395 -5.942 1.00 5.11 C ATOM 170 O LYS A 11 3.111 3.682 -5.457 1.00 72.52 O ATOM 171 CB LYS A 11 3.931 1.586 -7.751 1.00 52.14 C ATOM 172 CG LYS A 11 4.721 2.145 -8.966 1.00 64.11 C ATOM 173 CD LYS A 11 4.434 1.370 -10.287 1.00 30.33 C ATOM 174 CE LYS A 11 4.721 -0.143 -10.148 1.00 32.15 C ATOM 175 NZ LYS A 11 4.691 -0.879 -11.447 1.00 74.35 N ATOM 0 H LYS A 11 2.936 1.064 -5.295 1.00 3.14 H new ATOM 0 HA LYS A 11 5.595 1.868 -6.433 1.00 60.34 H new ATOM 0 HB2 LYS A 11 3.892 0.500 -7.831 1.00 52.14 H new ATOM 0 HB3 LYS A 11 2.904 1.947 -7.808 1.00 52.14 H new ATOM 0 HG2 LYS A 11 4.467 3.196 -9.105 1.00 64.11 H new ATOM 0 HG3 LYS A 11 5.788 2.101 -8.750 1.00 64.11 H new ATOM 0 HD2 LYS A 11 3.393 1.516 -10.574 1.00 30.33 H new ATOM 0 HD3 LYS A 11 5.046 1.782 -11.089 1.00 30.33 H new ATOM 0 HE2 LYS A 11 5.699 -0.278 -9.686 1.00 32.15 H new ATOM 0 HE3 LYS A 11 3.987 -0.583 -9.474 1.00 32.15 H new ATOM 0 HZ1 LYS A 11 4.974 -1.868 -11.292 1.00 74.35 H new ATOM 0 HZ2 LYS A 11 3.728 -0.852 -11.839 1.00 74.35 H new ATOM 0 HZ3 LYS A 11 5.350 -0.431 -12.115 1.00 74.35 H new ATOM 189 N ILE A 12 5.196 4.271 -6.073 1.00 25.21 N ATOM 190 CA ILE A 12 5.109 5.668 -5.659 1.00 13.22 C ATOM 191 C ILE A 12 5.239 6.538 -6.916 1.00 12.20 C ATOM 192 O ILE A 12 6.248 6.442 -7.633 1.00 14.14 O ATOM 193 CB ILE A 12 6.258 6.042 -4.642 1.00 2.12 C ATOM 194 CG1 ILE A 12 6.315 5.064 -3.416 1.00 4.12 C ATOM 195 CG2 ILE A 12 6.143 7.511 -4.172 1.00 42.13 C ATOM 196 CD1 ILE A 12 5.084 5.047 -2.528 1.00 70.12 C ATOM 0 H ILE A 12 6.100 4.025 -6.477 1.00 25.21 H new ATOM 0 HA ILE A 12 4.156 5.835 -5.157 1.00 13.22 H new ATOM 0 HB ILE A 12 7.198 5.932 -5.183 1.00 2.12 H new ATOM 0 HG12 ILE A 12 6.485 4.054 -3.788 1.00 4.12 H new ATOM 0 HG13 ILE A 12 7.178 5.328 -2.804 1.00 4.12 H new ATOM 0 HG21 ILE A 12 6.949 7.734 -3.473 1.00 42.13 H new ATOM 0 HG22 ILE A 12 6.215 8.175 -5.033 1.00 42.13 H new ATOM 0 HG23 ILE A 12 5.183 7.661 -3.678 1.00 42.13 H new ATOM 0 HD11 ILE A 12 5.232 4.338 -1.714 1.00 70.12 H new ATOM 0 HD12 ILE A 12 4.919 6.043 -2.116 1.00 70.12 H new ATOM 0 HD13 ILE A 12 4.216 4.749 -3.115 1.00 70.12 H new ATOM 208 N ASP A 13 4.198 7.334 -7.198 1.00 3.35 N ATOM 209 CA ASP A 13 4.201 8.328 -8.282 1.00 41.45 C ATOM 210 C ASP A 13 4.098 9.734 -7.672 1.00 0.13 C ATOM 211 O ASP A 13 3.005 10.217 -7.343 1.00 50.03 O ATOM 212 CB ASP A 13 3.023 8.064 -9.267 1.00 41.14 C ATOM 213 CG ASP A 13 3.135 6.708 -9.987 1.00 65.12 C ATOM 214 OD1 ASP A 13 2.925 5.655 -9.343 1.00 25.00 O ATOM 215 OD2 ASP A 13 3.417 6.682 -11.206 1.00 60.45 O ATOM 0 H ASP A 13 3.322 7.306 -6.676 1.00 3.35 H new ATOM 0 HA ASP A 13 5.130 8.249 -8.847 1.00 41.45 H new ATOM 0 HB2 ASP A 13 2.082 8.101 -8.718 1.00 41.14 H new ATOM 0 HB3 ASP A 13 2.991 8.862 -10.009 1.00 41.14 H new ATOM 220 N CYS A 14 5.254 10.381 -7.519 1.00 44.43 N ATOM 221 CA CYS A 14 5.353 11.767 -7.034 1.00 72.30 C ATOM 222 C CYS A 14 5.186 12.744 -8.206 1.00 11.14 C ATOM 223 O CYS A 14 4.555 13.794 -8.060 1.00 33.44 O ATOM 224 CB CYS A 14 6.712 12.003 -6.339 1.00 5.34 C ATOM 225 SG CYS A 14 6.983 13.702 -5.779 1.00 11.02 S ATOM 0 H CYS A 14 6.158 9.958 -7.729 1.00 44.43 H new ATOM 0 HA CYS A 14 4.558 11.939 -6.308 1.00 72.30 H new ATOM 0 HB2 CYS A 14 6.788 11.335 -5.481 1.00 5.34 H new ATOM 0 HB3 CYS A 14 7.511 11.729 -7.028 1.00 5.34 H new ATOM 0 HG CYS A 14 6.681 13.797 -4.518 1.00 11.02 H new ATOM 313 N THR A 21 9.210 4.106 -8.644 1.00 34.02 N ATOM 314 CA THR A 21 9.662 3.723 -7.304 1.00 4.22 C ATOM 315 C THR A 21 8.763 2.577 -6.822 1.00 72.21 C ATOM 316 O THR A 21 7.621 2.810 -6.433 1.00 4.51 O ATOM 317 CB THR A 21 9.589 4.954 -6.333 1.00 70.22 C ATOM 318 OG1 THR A 21 10.354 6.047 -6.884 1.00 62.20 O ATOM 319 CG2 THR A 21 10.102 4.635 -4.917 1.00 15.44 C ATOM 0 HA THR A 21 10.701 3.393 -7.324 1.00 4.22 H new ATOM 0 HB THR A 21 8.537 5.225 -6.240 1.00 70.22 H new ATOM 0 HG1 THR A 21 10.314 6.014 -7.863 1.00 62.20 H new ATOM 0 HG21 THR A 21 10.026 5.526 -4.293 1.00 15.44 H new ATOM 0 HG22 THR A 21 9.501 3.836 -4.484 1.00 15.44 H new ATOM 0 HG23 THR A 21 11.143 4.317 -4.970 1.00 15.44 H new ATOM 327 N THR A 22 9.279 1.342 -6.865 1.00 61.03 N ATOM 328 CA THR A 22 8.467 0.139 -6.634 1.00 3.15 C ATOM 329 C THR A 22 9.150 -0.779 -5.612 1.00 61.42 C ATOM 330 O THR A 22 10.329 -1.127 -5.769 1.00 44.21 O ATOM 331 CB THR A 22 8.207 -0.624 -7.979 1.00 13.14 C ATOM 332 OG1 THR A 22 7.870 0.326 -9.012 1.00 30.41 O ATOM 333 CG2 THR A 22 7.068 -1.641 -7.834 1.00 74.30 C ATOM 0 H THR A 22 10.262 1.149 -7.059 1.00 61.03 H new ATOM 0 HA THR A 22 7.503 0.448 -6.230 1.00 3.15 H new ATOM 0 HB THR A 22 9.116 -1.164 -8.244 1.00 13.14 H new ATOM 0 HG1 THR A 22 7.865 -0.125 -9.882 1.00 30.41 H new ATOM 0 HG21 THR A 22 6.914 -2.152 -8.784 1.00 74.30 H new ATOM 0 HG22 THR A 22 7.327 -2.371 -7.067 1.00 74.30 H new ATOM 0 HG23 THR A 22 6.152 -1.124 -7.548 1.00 74.30 H new ATOM 341 N TYR A 23 8.401 -1.146 -4.556 1.00 74.03 N ATOM 342 CA TYR A 23 8.898 -1.984 -3.460 1.00 34.15 C ATOM 343 C TYR A 23 8.279 -3.380 -3.546 1.00 12.30 C ATOM 344 O TYR A 23 7.051 -3.525 -3.568 1.00 43.21 O ATOM 345 CB TYR A 23 8.559 -1.326 -2.096 1.00 51.23 C ATOM 346 CG TYR A 23 9.224 0.043 -1.906 1.00 23.02 C ATOM 347 CD1 TYR A 23 10.566 0.134 -1.534 1.00 54.23 C ATOM 348 CD2 TYR A 23 8.529 1.241 -2.134 1.00 1.24 C ATOM 349 CE1 TYR A 23 11.185 1.354 -1.382 1.00 34.04 C ATOM 350 CE2 TYR A 23 9.155 2.465 -1.987 1.00 15.42 C ATOM 351 CZ TYR A 23 10.484 2.513 -1.613 1.00 74.24 C ATOM 352 OH TYR A 23 11.121 3.726 -1.478 1.00 1.42 O ATOM 0 H TYR A 23 7.427 -0.865 -4.443 1.00 74.03 H new ATOM 0 HA TYR A 23 9.981 -2.077 -3.545 1.00 34.15 H new ATOM 0 HB2 TYR A 23 7.478 -1.213 -2.013 1.00 51.23 H new ATOM 0 HB3 TYR A 23 8.873 -1.990 -1.291 1.00 51.23 H new ATOM 0 HD1 TYR A 23 11.130 -0.771 -1.362 1.00 54.23 H new ATOM 0 HD2 TYR A 23 7.490 1.206 -2.428 1.00 1.24 H new ATOM 0 HE1 TYR A 23 12.221 1.400 -1.081 1.00 34.04 H new ATOM 0 HE2 TYR A 23 8.608 3.379 -2.164 1.00 15.42 H new ATOM 0 HH TYR A 23 12.072 3.622 -1.692 1.00 1.42 H new ATOM 362 N ASP A 24 9.143 -4.399 -3.579 1.00 53.43 N ATOM 363 CA ASP A 24 8.729 -5.799 -3.540 1.00 12.40 C ATOM 364 C ASP A 24 8.737 -6.264 -2.080 1.00 41.31 C ATOM 365 O ASP A 24 9.749 -6.145 -1.378 1.00 54.31 O ATOM 366 CB ASP A 24 9.629 -6.680 -4.453 1.00 55.51 C ATOM 367 CG ASP A 24 11.126 -6.675 -4.081 1.00 32.10 C ATOM 368 OD1 ASP A 24 11.809 -5.665 -4.360 1.00 32.10 O ATOM 369 OD2 ASP A 24 11.620 -7.665 -3.499 1.00 71.21 O ATOM 0 H ASP A 24 10.154 -4.272 -3.634 1.00 53.43 H new ATOM 0 HA ASP A 24 7.718 -5.902 -3.935 1.00 12.40 H new ATOM 0 HB2 ASP A 24 9.264 -7.706 -4.419 1.00 55.51 H new ATOM 0 HB3 ASP A 24 9.523 -6.338 -5.483 1.00 55.51 H new ATOM 374 N LEU A 25 7.567 -6.705 -1.597 1.00 24.34 N ATOM 375 CA LEU A 25 7.389 -7.166 -0.200 1.00 44.14 C ATOM 376 C LEU A 25 7.293 -8.693 -0.167 1.00 3.10 C ATOM 377 O LEU A 25 7.962 -9.361 0.635 1.00 0.42 O ATOM 378 CB LEU A 25 6.112 -6.531 0.432 1.00 32.32 C ATOM 379 CG LEU A 25 5.939 -4.985 0.270 1.00 20.44 C ATOM 380 CD1 LEU A 25 4.705 -4.477 1.053 1.00 33.14 C ATOM 381 CD2 LEU A 25 7.214 -4.207 0.676 1.00 32.43 C ATOM 0 H LEU A 25 6.716 -6.755 -2.157 1.00 24.34 H new ATOM 0 HA LEU A 25 8.252 -6.849 0.385 1.00 44.14 H new ATOM 0 HB2 LEU A 25 5.239 -7.018 -0.003 1.00 32.32 H new ATOM 0 HB3 LEU A 25 6.108 -6.763 1.497 1.00 32.32 H new ATOM 0 HG LEU A 25 5.773 -4.794 -0.790 1.00 20.44 H new ATOM 0 HD11 LEU A 25 4.610 -3.399 0.922 1.00 33.14 H new ATOM 0 HD12 LEU A 25 3.808 -4.969 0.677 1.00 33.14 H new ATOM 0 HD13 LEU A 25 4.827 -4.705 2.112 1.00 33.14 H new ATOM 0 HD21 LEU A 25 7.045 -3.138 0.546 1.00 32.43 H new ATOM 0 HD22 LEU A 25 7.449 -4.413 1.720 1.00 32.43 H new ATOM 0 HD23 LEU A 25 8.047 -4.521 0.048 1.00 32.43 H new ATOM 393 N TYR A 26 6.453 -9.213 -1.087 1.00 75.32 N ATOM 394 CA TYR A 26 6.120 -10.637 -1.220 1.00 4.34 C ATOM 395 C TYR A 26 5.314 -11.144 -0.004 1.00 21.22 C ATOM 396 O TYR A 26 5.851 -11.369 1.085 1.00 51.22 O ATOM 397 CB TYR A 26 7.366 -11.505 -1.527 1.00 44.35 C ATOM 398 CG TYR A 26 7.967 -11.218 -2.922 1.00 43.35 C ATOM 399 CD1 TYR A 26 7.339 -11.682 -4.079 1.00 45.04 C ATOM 400 CD2 TYR A 26 9.145 -10.479 -3.082 1.00 3.02 C ATOM 401 CE1 TYR A 26 7.855 -11.422 -5.335 1.00 34.23 C ATOM 402 CE2 TYR A 26 9.665 -10.223 -4.337 1.00 14.32 C ATOM 403 CZ TYR A 26 9.020 -10.697 -5.459 1.00 15.12 C ATOM 404 OH TYR A 26 9.533 -10.433 -6.714 1.00 13.21 O ATOM 0 H TYR A 26 5.976 -8.631 -1.776 1.00 75.32 H new ATOM 0 HA TYR A 26 5.469 -10.741 -2.088 1.00 4.34 H new ATOM 0 HB2 TYR A 26 8.125 -11.325 -0.766 1.00 44.35 H new ATOM 0 HB3 TYR A 26 7.094 -12.559 -1.463 1.00 44.35 H new ATOM 0 HD1 TYR A 26 6.429 -12.257 -3.991 1.00 45.04 H new ATOM 0 HD2 TYR A 26 9.657 -10.102 -2.209 1.00 3.02 H new ATOM 0 HE1 TYR A 26 7.347 -11.786 -6.216 1.00 34.23 H new ATOM 0 HE2 TYR A 26 10.576 -9.652 -4.438 1.00 14.32 H new ATOM 0 HH TYR A 26 10.357 -9.910 -6.627 1.00 13.21 H new ATOM 414 N PHE A 27 4.007 -11.303 -0.230 1.00 73.44 N ATOM 415 CA PHE A 27 3.019 -11.673 0.789 1.00 64.14 C ATOM 416 C PHE A 27 2.872 -13.210 0.837 1.00 63.23 C ATOM 417 O PHE A 27 3.300 -13.906 -0.089 1.00 2.22 O ATOM 418 CB PHE A 27 1.683 -10.947 0.432 1.00 43.02 C ATOM 419 CG PHE A 27 0.441 -11.352 1.231 1.00 45.22 C ATOM 420 CD1 PHE A 27 0.295 -11.002 2.565 1.00 62.43 C ATOM 421 CD2 PHE A 27 -0.570 -12.102 0.641 1.00 44.30 C ATOM 422 CE1 PHE A 27 -0.823 -11.396 3.274 1.00 41.43 C ATOM 423 CE2 PHE A 27 -1.672 -12.495 1.356 1.00 33.04 C ATOM 424 CZ PHE A 27 -1.801 -12.142 2.674 1.00 50.25 C ATOM 0 H PHE A 27 3.594 -11.174 -1.154 1.00 73.44 H new ATOM 0 HA PHE A 27 3.329 -11.362 1.787 1.00 64.14 H new ATOM 0 HB2 PHE A 27 1.834 -9.875 0.560 1.00 43.02 H new ATOM 0 HB3 PHE A 27 1.477 -11.116 -0.625 1.00 43.02 H new ATOM 0 HD1 PHE A 27 1.061 -10.417 3.053 1.00 62.43 H new ATOM 0 HD2 PHE A 27 -0.486 -12.380 -0.399 1.00 44.30 H new ATOM 0 HE1 PHE A 27 -0.926 -11.113 4.311 1.00 41.43 H new ATOM 0 HE2 PHE A 27 -2.441 -13.085 0.879 1.00 33.04 H new ATOM 0 HZ PHE A 27 -2.670 -12.451 3.236 1.00 50.25 H new ATOM 434 N SER A 28 2.301 -13.718 1.944 1.00 11.10 N ATOM 435 CA SER A 28 1.970 -15.145 2.122 1.00 54.40 C ATOM 436 C SER A 28 0.813 -15.276 3.141 1.00 11.21 C ATOM 437 O SER A 28 -0.269 -15.784 2.815 1.00 73.22 O ATOM 438 CB SER A 28 3.227 -15.937 2.572 1.00 10.30 C ATOM 439 OG SER A 28 3.843 -15.336 3.694 1.00 3.12 O ATOM 0 H SER A 28 2.053 -13.143 2.750 1.00 11.10 H new ATOM 0 HA SER A 28 1.642 -15.571 1.174 1.00 54.40 H new ATOM 0 HB2 SER A 28 2.945 -16.961 2.815 1.00 10.30 H new ATOM 0 HB3 SER A 28 3.940 -15.989 1.749 1.00 10.30 H new ATOM 0 HG SER A 28 4.630 -15.859 3.954 1.00 3.12 H new ATOM 445 N LYS A 29 1.056 -14.785 4.377 1.00 73.31 N ATOM 446 CA LYS A 29 0.069 -14.773 5.486 1.00 34.14 C ATOM 447 C LYS A 29 0.011 -13.351 6.089 1.00 4.42 C ATOM 448 O LYS A 29 0.799 -12.467 5.710 1.00 34.33 O ATOM 449 CB LYS A 29 0.457 -15.827 6.575 1.00 30.13 C ATOM 450 CG LYS A 29 0.608 -17.284 6.062 1.00 33.41 C ATOM 451 CD LYS A 29 1.205 -18.245 7.123 1.00 24.10 C ATOM 452 CE LYS A 29 2.653 -17.892 7.506 1.00 70.25 C ATOM 453 NZ LYS A 29 3.195 -18.816 8.548 1.00 72.54 N ATOM 0 H LYS A 29 1.955 -14.380 4.638 1.00 73.31 H new ATOM 0 HA LYS A 29 -0.916 -15.041 5.104 1.00 34.14 H new ATOM 0 HB2 LYS A 29 1.397 -15.522 7.034 1.00 30.13 H new ATOM 0 HB3 LYS A 29 -0.301 -15.812 7.359 1.00 30.13 H new ATOM 0 HG2 LYS A 29 -0.368 -17.656 5.752 1.00 33.41 H new ATOM 0 HG3 LYS A 29 1.246 -17.287 5.178 1.00 33.41 H new ATOM 0 HD2 LYS A 29 0.582 -18.222 8.017 1.00 24.10 H new ATOM 0 HD3 LYS A 29 1.175 -19.265 6.740 1.00 24.10 H new ATOM 0 HE2 LYS A 29 3.284 -17.936 6.618 1.00 70.25 H new ATOM 0 HE3 LYS A 29 2.691 -16.867 7.874 1.00 70.25 H new ATOM 0 HZ1 LYS A 29 4.172 -18.545 8.778 1.00 72.54 H new ATOM 0 HZ2 LYS A 29 2.608 -18.756 9.404 1.00 72.54 H new ATOM 0 HZ3 LYS A 29 3.182 -19.791 8.187 1.00 72.54 H new ATOM 467 N ALA A 30 -0.911 -13.140 7.037 1.00 14.01 N ATOM 468 CA ALA A 30 -1.212 -11.806 7.594 1.00 73.45 C ATOM 469 C ALA A 30 -0.106 -11.268 8.528 1.00 55.31 C ATOM 470 O ALA A 30 -0.027 -10.059 8.735 1.00 53.20 O ATOM 471 CB ALA A 30 -2.555 -11.831 8.333 1.00 75.04 C ATOM 0 H ALA A 30 -1.473 -13.888 7.443 1.00 14.01 H new ATOM 0 HA ALA A 30 -1.265 -11.123 6.746 1.00 73.45 H new ATOM 0 HB1 ALA A 30 -2.765 -10.842 8.739 1.00 75.04 H new ATOM 0 HB2 ALA A 30 -3.347 -12.114 7.639 1.00 75.04 H new ATOM 0 HB3 ALA A 30 -2.509 -12.555 9.147 1.00 75.04 H new ATOM 477 N GLU A 31 0.746 -12.158 9.071 1.00 32.22 N ATOM 478 CA GLU A 31 1.766 -11.775 10.078 1.00 32.01 C ATOM 479 C GLU A 31 2.894 -10.952 9.432 1.00 33.34 C ATOM 480 O GLU A 31 3.342 -9.933 9.978 1.00 65.23 O ATOM 481 CB GLU A 31 2.324 -13.034 10.779 1.00 63.42 C ATOM 482 CG GLU A 31 1.237 -13.939 11.392 1.00 60.24 C ATOM 483 CD GLU A 31 0.234 -13.179 12.284 1.00 45.35 C ATOM 484 OE1 GLU A 31 0.603 -12.774 13.406 1.00 73.12 O ATOM 485 OE2 GLU A 31 -0.921 -12.962 11.861 1.00 42.42 O ATOM 0 H GLU A 31 0.752 -13.150 8.832 1.00 32.22 H new ATOM 0 HA GLU A 31 1.291 -11.147 10.831 1.00 32.01 H new ATOM 0 HB2 GLU A 31 2.902 -13.613 10.059 1.00 63.42 H new ATOM 0 HB3 GLU A 31 3.012 -12.725 11.566 1.00 63.42 H new ATOM 0 HG2 GLU A 31 0.693 -14.435 10.588 1.00 60.24 H new ATOM 0 HG3 GLU A 31 1.716 -14.720 11.982 1.00 60.24 H new ATOM 492 N GLU A 32 3.300 -11.397 8.241 1.00 23.31 N ATOM 493 CA GLU A 32 4.282 -10.699 7.401 1.00 11.02 C ATOM 494 C GLU A 32 3.630 -9.465 6.775 1.00 42.12 C ATOM 495 O GLU A 32 4.278 -8.438 6.628 1.00 52.13 O ATOM 496 CB GLU A 32 4.907 -11.638 6.301 1.00 62.00 C ATOM 497 CG GLU A 32 3.990 -12.764 5.741 1.00 62.55 C ATOM 498 CD GLU A 32 3.958 -14.058 6.600 1.00 33.12 C ATOM 499 OE1 GLU A 32 4.815 -14.948 6.406 1.00 53.12 O ATOM 500 OE2 GLU A 32 3.076 -14.191 7.464 1.00 20.03 O ATOM 0 H GLU A 32 2.954 -12.262 7.826 1.00 23.31 H new ATOM 0 HA GLU A 32 5.110 -10.385 8.036 1.00 11.02 H new ATOM 0 HB2 GLU A 32 5.231 -11.016 5.466 1.00 62.00 H new ATOM 0 HB3 GLU A 32 5.801 -12.103 6.718 1.00 62.00 H new ATOM 0 HG2 GLU A 32 2.975 -12.377 5.652 1.00 62.55 H new ATOM 0 HG3 GLU A 32 4.323 -13.019 4.735 1.00 62.55 H new ATOM 507 N ALA A 33 2.327 -9.575 6.463 1.00 5.15 N ATOM 508 CA ALA A 33 1.564 -8.468 5.872 1.00 50.20 C ATOM 509 C ALA A 33 1.584 -7.221 6.780 1.00 45.50 C ATOM 510 O ALA A 33 1.958 -6.150 6.326 1.00 42.31 O ATOM 511 CB ALA A 33 0.129 -8.906 5.591 1.00 54.43 C ATOM 0 H ALA A 33 1.781 -10.424 6.612 1.00 5.15 H new ATOM 0 HA ALA A 33 2.040 -8.197 4.930 1.00 50.20 H new ATOM 0 HB1 ALA A 33 -0.426 -8.076 5.153 1.00 54.43 H new ATOM 0 HB2 ALA A 33 0.134 -9.746 4.896 1.00 54.43 H new ATOM 0 HB3 ALA A 33 -0.348 -9.209 6.523 1.00 54.43 H new ATOM 517 N LYS A 34 1.258 -7.418 8.076 1.00 31.11 N ATOM 518 CA LYS A 34 1.209 -6.330 9.090 1.00 21.54 C ATOM 519 C LYS A 34 2.576 -5.622 9.233 1.00 12.54 C ATOM 520 O LYS A 34 2.638 -4.406 9.454 1.00 42.14 O ATOM 521 CB LYS A 34 0.793 -6.907 10.473 1.00 64.23 C ATOM 522 CG LYS A 34 -0.631 -7.501 10.538 1.00 33.24 C ATOM 523 CD LYS A 34 -0.948 -8.148 11.914 1.00 35.11 C ATOM 524 CE LYS A 34 0.003 -9.310 12.271 1.00 74.50 C ATOM 525 NZ LYS A 34 -0.314 -9.923 13.596 1.00 44.54 N ATOM 0 H LYS A 34 1.020 -8.335 8.454 1.00 31.11 H new ATOM 0 HA LYS A 34 0.474 -5.601 8.750 1.00 21.54 H new ATOM 0 HB2 LYS A 34 1.506 -7.682 10.754 1.00 64.23 H new ATOM 0 HB3 LYS A 34 0.873 -6.115 11.218 1.00 64.23 H new ATOM 0 HG2 LYS A 34 -1.358 -6.715 10.335 1.00 33.24 H new ATOM 0 HG3 LYS A 34 -0.744 -8.250 9.754 1.00 33.24 H new ATOM 0 HD2 LYS A 34 -0.887 -7.385 12.690 1.00 35.11 H new ATOM 0 HD3 LYS A 34 -1.974 -8.515 11.908 1.00 35.11 H new ATOM 0 HE2 LYS A 34 -0.057 -10.075 11.497 1.00 74.50 H new ATOM 0 HE3 LYS A 34 1.030 -8.945 12.280 1.00 74.50 H new ATOM 0 HZ1 LYS A 34 -0.004 -10.916 13.602 1.00 44.54 H new ATOM 0 HZ2 LYS A 34 0.181 -9.401 14.347 1.00 44.54 H new ATOM 0 HZ3 LYS A 34 -1.340 -9.880 13.762 1.00 44.54 H new ATOM 539 N GLU A 35 3.652 -6.416 9.109 1.00 54.13 N ATOM 540 CA GLU A 35 5.028 -5.956 9.312 1.00 60.13 C ATOM 541 C GLU A 35 5.511 -5.135 8.103 1.00 62.14 C ATOM 542 O GLU A 35 6.008 -4.016 8.266 1.00 12.33 O ATOM 543 CB GLU A 35 5.952 -7.167 9.563 1.00 72.03 C ATOM 544 CG GLU A 35 7.385 -6.774 9.963 1.00 33.22 C ATOM 545 CD GLU A 35 8.266 -7.974 10.310 1.00 35.41 C ATOM 546 OE1 GLU A 35 8.244 -8.427 11.475 1.00 53.30 O ATOM 547 OE2 GLU A 35 8.968 -8.486 9.416 1.00 55.34 O ATOM 0 H GLU A 35 3.586 -7.404 8.863 1.00 54.13 H new ATOM 0 HA GLU A 35 5.059 -5.307 10.187 1.00 60.13 H new ATOM 0 HB2 GLU A 35 5.521 -7.786 10.350 1.00 72.03 H new ATOM 0 HB3 GLU A 35 5.990 -7.778 8.661 1.00 72.03 H new ATOM 0 HG2 GLU A 35 7.844 -6.219 9.145 1.00 33.22 H new ATOM 0 HG3 GLU A 35 7.344 -6.102 10.820 1.00 33.22 H new ATOM 554 N LEU A 36 5.335 -5.704 6.895 1.00 24.32 N ATOM 555 CA LEU A 36 5.683 -5.041 5.619 1.00 61.31 C ATOM 556 C LEU A 36 4.838 -3.765 5.408 1.00 0.51 C ATOM 557 O LEU A 36 5.316 -2.792 4.835 1.00 61.10 O ATOM 558 CB LEU A 36 5.524 -6.026 4.417 1.00 52.13 C ATOM 559 CG LEU A 36 6.756 -6.956 4.088 1.00 22.04 C ATOM 560 CD1 LEU A 36 8.058 -6.135 3.907 1.00 24.31 C ATOM 561 CD2 LEU A 36 6.951 -8.118 5.100 1.00 2.34 C ATOM 0 H LEU A 36 4.946 -6.639 6.774 1.00 24.32 H new ATOM 0 HA LEU A 36 6.730 -4.742 5.671 1.00 61.31 H new ATOM 0 HB2 LEU A 36 4.661 -6.663 4.612 1.00 52.13 H new ATOM 0 HB3 LEU A 36 5.294 -5.441 3.527 1.00 52.13 H new ATOM 0 HG LEU A 36 6.519 -7.431 3.136 1.00 22.04 H new ATOM 0 HD11 LEU A 36 8.885 -6.809 3.682 1.00 24.31 H new ATOM 0 HD12 LEU A 36 7.932 -5.429 3.087 1.00 24.31 H new ATOM 0 HD13 LEU A 36 8.275 -5.589 4.825 1.00 24.31 H new ATOM 0 HD21 LEU A 36 7.816 -8.713 4.808 1.00 2.34 H new ATOM 0 HD22 LEU A 36 7.112 -7.709 6.097 1.00 2.34 H new ATOM 0 HD23 LEU A 36 6.062 -8.749 5.106 1.00 2.34 H new ATOM 573 N LEU A 37 3.589 -3.799 5.901 1.00 41.20 N ATOM 574 CA LEU A 37 2.667 -2.637 5.916 1.00 25.31 C ATOM 575 C LEU A 37 3.257 -1.498 6.762 1.00 60.13 C ATOM 576 O LEU A 37 3.244 -0.334 6.350 1.00 42.52 O ATOM 577 CB LEU A 37 1.281 -3.108 6.477 1.00 0.35 C ATOM 578 CG LEU A 37 0.146 -2.043 6.786 1.00 12.54 C ATOM 579 CD1 LEU A 37 -1.265 -2.671 6.653 1.00 53.04 C ATOM 580 CD2 LEU A 37 0.295 -1.436 8.204 1.00 52.44 C ATOM 0 H LEU A 37 3.181 -4.641 6.306 1.00 41.20 H new ATOM 0 HA LEU A 37 2.530 -2.252 4.906 1.00 25.31 H new ATOM 0 HB2 LEU A 37 0.869 -3.823 5.765 1.00 0.35 H new ATOM 0 HB3 LEU A 37 1.474 -3.653 7.401 1.00 0.35 H new ATOM 0 HG LEU A 37 0.261 -1.248 6.049 1.00 12.54 H new ATOM 0 HD11 LEU A 37 -2.021 -1.917 6.871 1.00 53.04 H new ATOM 0 HD12 LEU A 37 -1.404 -3.042 5.637 1.00 53.04 H new ATOM 0 HD13 LEU A 37 -1.363 -3.497 7.357 1.00 53.04 H new ATOM 0 HD21 LEU A 37 -0.501 -0.712 8.375 1.00 52.44 H new ATOM 0 HD22 LEU A 37 0.230 -2.230 8.948 1.00 52.44 H new ATOM 0 HD23 LEU A 37 1.261 -0.939 8.287 1.00 52.44 H new ATOM 592 N LYS A 38 3.753 -1.872 7.956 1.00 4.44 N ATOM 593 CA LYS A 38 4.320 -0.934 8.945 1.00 41.40 C ATOM 594 C LYS A 38 5.637 -0.320 8.424 1.00 22.25 C ATOM 595 O LYS A 38 5.961 0.836 8.716 1.00 25.33 O ATOM 596 CB LYS A 38 4.534 -1.696 10.276 1.00 64.53 C ATOM 597 CG LYS A 38 4.861 -0.816 11.498 1.00 74.54 C ATOM 598 CD LYS A 38 4.980 -1.610 12.831 1.00 11.33 C ATOM 599 CE LYS A 38 3.640 -2.172 13.374 1.00 54.22 C ATOM 600 NZ LYS A 38 3.013 -3.190 12.479 1.00 51.14 N ATOM 0 H LYS A 38 3.772 -2.844 8.265 1.00 4.44 H new ATOM 0 HA LYS A 38 3.631 -0.106 9.113 1.00 41.40 H new ATOM 0 HB2 LYS A 38 3.634 -2.271 10.494 1.00 64.53 H new ATOM 0 HB3 LYS A 38 5.344 -2.412 10.138 1.00 64.53 H new ATOM 0 HG2 LYS A 38 5.798 -0.290 11.315 1.00 74.54 H new ATOM 0 HG3 LYS A 38 4.085 -0.058 11.606 1.00 74.54 H new ATOM 0 HD2 LYS A 38 5.672 -2.439 12.684 1.00 11.33 H new ATOM 0 HD3 LYS A 38 5.418 -0.959 13.588 1.00 11.33 H new ATOM 0 HE2 LYS A 38 3.813 -2.618 14.353 1.00 54.22 H new ATOM 0 HE3 LYS A 38 2.942 -1.348 13.518 1.00 54.22 H new ATOM 0 HZ1 LYS A 38 2.552 -3.922 13.056 1.00 51.14 H new ATOM 0 HZ2 LYS A 38 2.305 -2.730 11.872 1.00 51.14 H new ATOM 0 HZ3 LYS A 38 3.746 -3.628 11.885 1.00 51.14 H new ATOM 614 N LYS A 39 6.369 -1.120 7.629 1.00 13.33 N ATOM 615 CA LYS A 39 7.595 -0.679 6.950 1.00 70.40 C ATOM 616 C LYS A 39 7.253 0.346 5.848 1.00 32.14 C ATOM 617 O LYS A 39 7.884 1.391 5.763 1.00 32.33 O ATOM 618 CB LYS A 39 8.363 -1.892 6.358 1.00 71.34 C ATOM 619 CG LYS A 39 8.907 -2.884 7.413 1.00 15.30 C ATOM 620 CD LYS A 39 9.566 -4.127 6.768 1.00 53.23 C ATOM 621 CE LYS A 39 10.033 -5.173 7.795 1.00 41.33 C ATOM 622 NZ LYS A 39 11.123 -4.662 8.668 1.00 33.54 N ATOM 0 H LYS A 39 6.125 -2.092 7.440 1.00 13.33 H new ATOM 0 HA LYS A 39 8.244 -0.197 7.681 1.00 70.40 H new ATOM 0 HB2 LYS A 39 7.700 -2.430 5.680 1.00 71.34 H new ATOM 0 HB3 LYS A 39 9.197 -1.522 5.762 1.00 71.34 H new ATOM 0 HG2 LYS A 39 9.636 -2.376 8.044 1.00 15.30 H new ATOM 0 HG3 LYS A 39 8.092 -3.204 8.062 1.00 15.30 H new ATOM 0 HD2 LYS A 39 8.856 -4.592 6.084 1.00 53.23 H new ATOM 0 HD3 LYS A 39 10.421 -3.808 6.171 1.00 53.23 H new ATOM 0 HE2 LYS A 39 9.187 -5.474 8.413 1.00 41.33 H new ATOM 0 HE3 LYS A 39 10.378 -6.064 7.271 1.00 41.33 H new ATOM 0 HZ1 LYS A 39 11.403 -5.402 9.343 1.00 33.54 H new ATOM 0 HZ2 LYS A 39 11.942 -4.399 8.083 1.00 33.54 H new ATOM 0 HZ3 LYS A 39 10.787 -3.827 9.190 1.00 33.54 H new ATOM 636 N VAL A 40 6.226 0.044 5.033 1.00 61.12 N ATOM 637 CA VAL A 40 5.765 0.948 3.943 1.00 21.40 C ATOM 638 C VAL A 40 5.250 2.289 4.525 1.00 50.11 C ATOM 639 O VAL A 40 5.386 3.339 3.884 1.00 65.23 O ATOM 640 CB VAL A 40 4.672 0.253 3.029 1.00 55.11 C ATOM 641 CG1 VAL A 40 4.037 1.231 2.012 1.00 64.13 C ATOM 642 CG2 VAL A 40 5.280 -0.958 2.283 1.00 14.35 C ATOM 0 H VAL A 40 5.692 -0.822 5.103 1.00 61.12 H new ATOM 0 HA VAL A 40 6.621 1.165 3.305 1.00 21.40 H new ATOM 0 HB VAL A 40 3.878 -0.087 3.694 1.00 55.11 H new ATOM 0 HG11 VAL A 40 3.296 0.702 1.413 1.00 64.13 H new ATOM 0 HG12 VAL A 40 3.554 2.049 2.547 1.00 64.13 H new ATOM 0 HG13 VAL A 40 4.813 1.632 1.359 1.00 64.13 H new ATOM 0 HG21 VAL A 40 4.516 -1.423 1.660 1.00 14.35 H new ATOM 0 HG22 VAL A 40 6.105 -0.622 1.655 1.00 14.35 H new ATOM 0 HG23 VAL A 40 5.649 -1.684 3.008 1.00 14.35 H new ATOM 652 N ALA A 41 4.675 2.224 5.747 1.00 73.00 N ATOM 653 CA ALA A 41 4.184 3.405 6.491 1.00 32.31 C ATOM 654 C ALA A 41 5.266 4.493 6.630 1.00 11.21 C ATOM 655 O ALA A 41 5.025 5.658 6.292 1.00 4.34 O ATOM 656 CB ALA A 41 3.667 2.988 7.880 1.00 10.33 C ATOM 0 H ALA A 41 4.538 1.346 6.247 1.00 73.00 H new ATOM 0 HA ALA A 41 3.363 3.832 5.915 1.00 32.31 H new ATOM 0 HB1 ALA A 41 3.309 3.868 8.414 1.00 10.33 H new ATOM 0 HB2 ALA A 41 2.850 2.276 7.765 1.00 10.33 H new ATOM 0 HB3 ALA A 41 4.476 2.524 8.445 1.00 10.33 H new ATOM 662 N GLU A 42 6.452 4.091 7.121 1.00 45.50 N ATOM 663 CA GLU A 42 7.586 5.016 7.326 1.00 34.32 C ATOM 664 C GLU A 42 8.265 5.400 5.986 1.00 64.12 C ATOM 665 O GLU A 42 8.705 6.545 5.823 1.00 33.15 O ATOM 666 CB GLU A 42 8.621 4.416 8.321 1.00 13.13 C ATOM 667 CG GLU A 42 9.254 3.084 7.873 1.00 3.44 C ATOM 668 CD GLU A 42 10.412 2.611 8.765 1.00 31.25 C ATOM 669 OE1 GLU A 42 11.554 3.048 8.547 1.00 51.14 O ATOM 670 OE2 GLU A 42 10.188 1.813 9.684 1.00 53.24 O ATOM 0 H GLU A 42 6.653 3.126 7.385 1.00 45.50 H new ATOM 0 HA GLU A 42 7.184 5.931 7.761 1.00 34.32 H new ATOM 0 HB2 GLU A 42 9.416 5.145 8.479 1.00 13.13 H new ATOM 0 HB3 GLU A 42 8.132 4.264 9.283 1.00 13.13 H new ATOM 0 HG2 GLU A 42 8.483 2.314 7.858 1.00 3.44 H new ATOM 0 HG3 GLU A 42 9.617 3.192 6.851 1.00 3.44 H new ATOM 677 N LYS A 43 8.328 4.434 5.031 1.00 72.20 N ATOM 678 CA LYS A 43 8.994 4.643 3.717 1.00 54.12 C ATOM 679 C LYS A 43 8.278 5.741 2.903 1.00 52.51 C ATOM 680 O LYS A 43 8.897 6.732 2.524 1.00 24.32 O ATOM 681 CB LYS A 43 9.034 3.324 2.882 1.00 53.44 C ATOM 682 CG LYS A 43 9.854 2.167 3.508 1.00 14.33 C ATOM 683 CD LYS A 43 9.728 0.837 2.708 1.00 11.23 C ATOM 684 CE LYS A 43 10.251 -0.386 3.485 1.00 21.54 C ATOM 685 NZ LYS A 43 11.685 -0.271 3.851 1.00 33.24 N ATOM 0 H LYS A 43 7.926 3.504 5.147 1.00 72.20 H new ATOM 0 HA LYS A 43 10.017 4.959 3.924 1.00 54.12 H new ATOM 0 HB2 LYS A 43 8.011 2.980 2.728 1.00 53.44 H new ATOM 0 HB3 LYS A 43 9.446 3.549 1.898 1.00 53.44 H new ATOM 0 HG2 LYS A 43 10.903 2.457 3.559 1.00 14.33 H new ATOM 0 HG3 LYS A 43 9.519 2.003 4.532 1.00 14.33 H new ATOM 0 HD2 LYS A 43 8.682 0.674 2.447 1.00 11.23 H new ATOM 0 HD3 LYS A 43 10.280 0.929 1.772 1.00 11.23 H new ATOM 0 HE2 LYS A 43 9.659 -0.514 4.392 1.00 21.54 H new ATOM 0 HE3 LYS A 43 10.107 -1.282 2.881 1.00 21.54 H new ATOM 0 HZ1 LYS A 43 11.980 -1.122 4.371 1.00 33.24 H new ATOM 0 HZ2 LYS A 43 12.257 -0.177 2.988 1.00 33.24 H new ATOM 0 HZ3 LYS A 43 11.824 0.567 4.451 1.00 33.24 H new ATOM 699 N ALA A 44 6.956 5.572 2.719 1.00 20.23 N ATOM 700 CA ALA A 44 6.139 6.439 1.849 1.00 74.13 C ATOM 701 C ALA A 44 5.967 7.835 2.466 1.00 43.53 C ATOM 702 O ALA A 44 6.072 8.842 1.759 1.00 1.35 O ATOM 703 CB ALA A 44 4.782 5.778 1.566 1.00 12.43 C ATOM 0 H ALA A 44 6.423 4.829 3.170 1.00 20.23 H new ATOM 0 HA ALA A 44 6.659 6.568 0.899 1.00 74.13 H new ATOM 0 HB1 ALA A 44 4.188 6.427 0.923 1.00 12.43 H new ATOM 0 HB2 ALA A 44 4.940 4.821 1.069 1.00 12.43 H new ATOM 0 HB3 ALA A 44 4.253 5.616 2.505 1.00 12.43 H new ATOM 709 N ALA A 45 5.747 7.873 3.799 1.00 2.32 N ATOM 710 CA ALA A 45 5.598 9.130 4.567 1.00 14.03 C ATOM 711 C ALA A 45 6.848 10.034 4.452 1.00 44.11 C ATOM 712 O ALA A 45 6.741 11.255 4.553 1.00 42.42 O ATOM 713 CB ALA A 45 5.286 8.821 6.034 1.00 52.12 C ATOM 0 H ALA A 45 5.668 7.033 4.373 1.00 2.32 H new ATOM 0 HA ALA A 45 4.763 9.682 4.135 1.00 14.03 H new ATOM 0 HB1 ALA A 45 5.179 9.754 6.588 1.00 52.12 H new ATOM 0 HB2 ALA A 45 4.358 8.253 6.097 1.00 52.12 H new ATOM 0 HB3 ALA A 45 6.099 8.236 6.463 1.00 52.12 H new ATOM 719 N ASP A 46 8.021 9.397 4.262 1.00 73.34 N ATOM 720 CA ASP A 46 9.321 10.081 4.090 1.00 22.42 C ATOM 721 C ASP A 46 9.361 10.883 2.774 1.00 54.53 C ATOM 722 O ASP A 46 9.845 12.020 2.764 1.00 31.33 O ATOM 723 CB ASP A 46 10.465 9.035 4.140 1.00 14.23 C ATOM 724 CG ASP A 46 11.880 9.630 3.967 1.00 15.12 C ATOM 725 OD1 ASP A 46 12.319 9.834 2.811 1.00 74.12 O ATOM 726 OD2 ASP A 46 12.567 9.878 4.978 1.00 63.55 O ATOM 0 H ASP A 46 8.094 8.380 4.223 1.00 73.34 H new ATOM 0 HA ASP A 46 9.454 10.793 4.904 1.00 22.42 H new ATOM 0 HB2 ASP A 46 10.419 8.509 5.094 1.00 14.23 H new ATOM 0 HB3 ASP A 46 10.298 8.293 3.359 1.00 14.23 H new ATOM 731 N LYS A 47 8.848 10.286 1.665 1.00 51.23 N ATOM 732 CA LYS A 47 8.769 10.994 0.359 1.00 20.12 C ATOM 733 C LYS A 47 7.836 12.213 0.486 1.00 5.34 C ATOM 734 O LYS A 47 8.155 13.301 0.013 1.00 22.41 O ATOM 735 CB LYS A 47 8.245 10.112 -0.817 1.00 32.42 C ATOM 736 CG LYS A 47 9.108 8.905 -1.254 1.00 11.23 C ATOM 737 CD LYS A 47 8.902 7.667 -0.369 1.00 10.53 C ATOM 738 CE LYS A 47 9.544 6.397 -0.946 1.00 62.33 C ATOM 739 NZ LYS A 47 11.007 6.555 -1.164 1.00 33.21 N ATOM 0 H LYS A 47 8.488 9.332 1.648 1.00 51.23 H new ATOM 0 HA LYS A 47 9.793 11.282 0.121 1.00 20.12 H new ATOM 0 HB2 LYS A 47 7.260 9.737 -0.541 1.00 32.42 H new ATOM 0 HB3 LYS A 47 8.108 10.758 -1.685 1.00 32.42 H new ATOM 0 HG2 LYS A 47 8.870 8.650 -2.287 1.00 11.23 H new ATOM 0 HG3 LYS A 47 10.160 9.190 -1.231 1.00 11.23 H new ATOM 0 HD2 LYS A 47 9.320 7.861 0.619 1.00 10.53 H new ATOM 0 HD3 LYS A 47 7.834 7.498 -0.235 1.00 10.53 H new ATOM 0 HE2 LYS A 47 9.368 5.563 -0.267 1.00 62.33 H new ATOM 0 HE3 LYS A 47 9.063 6.146 -1.891 1.00 62.33 H new ATOM 0 HZ1 LYS A 47 11.437 5.622 -1.324 1.00 33.21 H new ATOM 0 HZ2 LYS A 47 11.171 7.159 -1.995 1.00 33.21 H new ATOM 0 HZ3 LYS A 47 11.437 6.995 -0.326 1.00 33.21 H new ATOM 753 N ILE A 48 6.690 11.979 1.156 1.00 2.11 N ATOM 754 CA ILE A 48 5.643 12.992 1.401 1.00 74.14 C ATOM 755 C ILE A 48 6.193 14.161 2.246 1.00 61.32 C ATOM 756 O ILE A 48 5.817 15.324 2.050 1.00 73.43 O ATOM 757 CB ILE A 48 4.395 12.328 2.106 1.00 74.34 C ATOM 758 CG1 ILE A 48 3.870 11.129 1.250 1.00 2.40 C ATOM 759 CG2 ILE A 48 3.270 13.362 2.368 1.00 60.14 C ATOM 760 CD1 ILE A 48 2.866 10.233 1.951 1.00 34.24 C ATOM 0 H ILE A 48 6.462 11.066 1.549 1.00 2.11 H new ATOM 0 HA ILE A 48 5.324 13.397 0.441 1.00 74.14 H new ATOM 0 HB ILE A 48 4.715 11.950 3.077 1.00 74.34 H new ATOM 0 HG12 ILE A 48 3.412 11.523 0.343 1.00 2.40 H new ATOM 0 HG13 ILE A 48 4.721 10.523 0.940 1.00 2.40 H new ATOM 0 HG21 ILE A 48 2.428 12.869 2.854 1.00 60.14 H new ATOM 0 HG22 ILE A 48 3.648 14.155 3.014 1.00 60.14 H new ATOM 0 HG23 ILE A 48 2.942 13.791 1.421 1.00 60.14 H new ATOM 0 HD11 ILE A 48 2.561 9.432 1.278 1.00 34.24 H new ATOM 0 HD12 ILE A 48 3.322 9.804 2.843 1.00 34.24 H new ATOM 0 HD13 ILE A 48 1.992 10.819 2.236 1.00 34.24 H new ATOM 772 N LYS A 49 7.112 13.819 3.156 1.00 13.12 N ATOM 773 CA LYS A 49 7.746 14.765 4.077 1.00 14.15 C ATOM 774 C LYS A 49 8.758 15.654 3.331 1.00 2.01 C ATOM 775 O LYS A 49 8.728 16.876 3.458 1.00 73.34 O ATOM 776 CB LYS A 49 8.422 13.964 5.216 1.00 72.11 C ATOM 777 CG LYS A 49 9.140 14.802 6.292 1.00 33.34 C ATOM 778 CD LYS A 49 9.636 13.916 7.454 1.00 73.42 C ATOM 779 CE LYS A 49 10.435 14.680 8.510 1.00 4.35 C ATOM 780 NZ LYS A 49 10.830 13.794 9.647 1.00 23.42 N ATOM 0 H LYS A 49 7.441 12.861 3.274 1.00 13.12 H new ATOM 0 HA LYS A 49 6.996 15.430 4.505 1.00 14.15 H new ATOM 0 HB2 LYS A 49 7.663 13.353 5.705 1.00 72.11 H new ATOM 0 HB3 LYS A 49 9.145 13.279 4.773 1.00 72.11 H new ATOM 0 HG2 LYS A 49 9.985 15.325 5.845 1.00 33.34 H new ATOM 0 HG3 LYS A 49 8.461 15.563 6.676 1.00 33.34 H new ATOM 0 HD2 LYS A 49 8.777 13.444 7.932 1.00 73.42 H new ATOM 0 HD3 LYS A 49 10.256 13.116 7.050 1.00 73.42 H new ATOM 0 HE2 LYS A 49 11.328 15.107 8.053 1.00 4.35 H new ATOM 0 HE3 LYS A 49 9.840 15.512 8.886 1.00 4.35 H new ATOM 0 HZ1 LYS A 49 11.370 14.344 10.345 1.00 23.42 H new ATOM 0 HZ2 LYS A 49 9.977 13.406 10.098 1.00 23.42 H new ATOM 0 HZ3 LYS A 49 11.418 13.014 9.291 1.00 23.42 H new ATOM 794 N LYS A 50 9.615 15.023 2.512 1.00 13.25 N ATOM 795 CA LYS A 50 10.715 15.720 1.811 1.00 31.14 C ATOM 796 C LYS A 50 10.223 16.474 0.552 1.00 44.21 C ATOM 797 O LYS A 50 10.824 17.480 0.160 1.00 64.31 O ATOM 798 CB LYS A 50 11.834 14.709 1.430 1.00 34.51 C ATOM 799 CG LYS A 50 12.527 14.037 2.642 1.00 21.11 C ATOM 800 CD LYS A 50 13.730 13.157 2.229 1.00 74.33 C ATOM 801 CE LYS A 50 14.461 12.542 3.432 1.00 53.55 C ATOM 802 NZ LYS A 50 15.639 11.739 3.010 1.00 33.12 N ATOM 0 H LYS A 50 9.569 14.023 2.316 1.00 13.25 H new ATOM 0 HA LYS A 50 11.117 16.465 2.498 1.00 31.14 H new ATOM 0 HB2 LYS A 50 11.406 13.933 0.795 1.00 34.51 H new ATOM 0 HB3 LYS A 50 12.588 15.226 0.836 1.00 34.51 H new ATOM 0 HG2 LYS A 50 12.866 14.807 3.334 1.00 21.11 H new ATOM 0 HG3 LYS A 50 11.801 13.425 3.177 1.00 21.11 H new ATOM 0 HD2 LYS A 50 13.382 12.358 1.575 1.00 74.33 H new ATOM 0 HD3 LYS A 50 14.432 13.758 1.652 1.00 74.33 H new ATOM 0 HE2 LYS A 50 14.784 13.336 4.105 1.00 53.55 H new ATOM 0 HE3 LYS A 50 13.772 11.910 3.992 1.00 53.55 H new ATOM 0 HZ1 LYS A 50 16.106 11.340 3.849 1.00 33.12 H new ATOM 0 HZ2 LYS A 50 15.327 10.966 2.387 1.00 33.12 H new ATOM 0 HZ3 LYS A 50 16.309 12.348 2.498 1.00 33.12 H new ATOM 816 N GLN A 51 9.124 15.991 -0.056 1.00 75.22 N ATOM 817 CA GLN A 51 8.623 16.512 -1.345 1.00 65.43 C ATOM 818 C GLN A 51 7.099 16.308 -1.446 1.00 3.33 C ATOM 819 O GLN A 51 6.327 17.271 -1.361 1.00 41.33 O ATOM 820 CB GLN A 51 9.356 15.806 -2.530 1.00 2.14 C ATOM 821 CG GLN A 51 8.911 16.278 -3.934 1.00 34.13 C ATOM 822 CD GLN A 51 9.681 15.617 -5.085 1.00 42.33 C ATOM 823 OE1 GLN A 51 10.136 14.474 -4.981 1.00 24.44 O ATOM 824 NE2 GLN A 51 9.820 16.322 -6.200 1.00 73.13 N ATOM 0 H GLN A 51 8.560 15.233 0.328 1.00 75.22 H new ATOM 0 HA GLN A 51 8.829 17.581 -1.400 1.00 65.43 H new ATOM 0 HB2 GLN A 51 10.428 15.973 -2.428 1.00 2.14 H new ATOM 0 HB3 GLN A 51 9.192 14.731 -2.453 1.00 2.14 H new ATOM 0 HG2 GLN A 51 7.848 16.072 -4.056 1.00 34.13 H new ATOM 0 HG3 GLN A 51 9.036 17.359 -4.000 1.00 34.13 H new ATOM 0 HE21 GLN A 51 9.434 17.264 -6.259 1.00 73.13 H new ATOM 0 HE22 GLN A 51 10.313 15.922 -6.998 1.00 73.13 H new ATOM 833 N GLY A 52 6.686 15.038 -1.622 1.00 21.34 N ATOM 834 CA GLY A 52 5.279 14.678 -1.781 1.00 3.13 C ATOM 835 C GLY A 52 5.111 13.322 -2.458 1.00 52.23 C ATOM 836 O GLY A 52 6.061 12.794 -3.048 1.00 40.42 O ATOM 0 H GLY A 52 7.322 14.241 -1.657 1.00 21.34 H new ATOM 0 HA2 GLY A 52 4.797 14.658 -0.804 1.00 3.13 H new ATOM 0 HA3 GLY A 52 4.773 15.443 -2.370 1.00 3.13 H new ATOM 840 N CYS A 53 3.911 12.741 -2.321 1.00 0.03 N ATOM 841 CA CYS A 53 3.453 11.586 -3.109 1.00 25.13 C ATOM 842 C CYS A 53 1.979 11.819 -3.440 1.00 13.45 C ATOM 843 O CYS A 53 1.103 11.491 -2.640 1.00 43.44 O ATOM 844 CB CYS A 53 3.629 10.258 -2.341 1.00 61.24 C ATOM 845 SG CYS A 53 5.330 9.862 -1.930 1.00 13.35 S ATOM 0 H CYS A 53 3.218 13.066 -1.647 1.00 0.03 H new ATOM 0 HA CYS A 53 4.052 11.500 -4.016 1.00 25.13 H new ATOM 0 HB2 CYS A 53 3.047 10.304 -1.421 1.00 61.24 H new ATOM 0 HB3 CYS A 53 3.214 9.448 -2.940 1.00 61.24 H new ATOM 0 HG CYS A 53 6.104 10.839 -2.298 1.00 13.35 H new ATOM 851 N LYS A 54 1.724 12.467 -4.582 1.00 3.00 N ATOM 852 CA LYS A 54 0.352 12.796 -5.024 1.00 22.43 C ATOM 853 C LYS A 54 -0.449 11.517 -5.343 1.00 11.23 C ATOM 854 O LYS A 54 -1.654 11.438 -5.086 1.00 70.32 O ATOM 855 CB LYS A 54 0.391 13.747 -6.246 1.00 13.22 C ATOM 856 CG LYS A 54 1.165 13.197 -7.461 1.00 63.02 C ATOM 857 CD LYS A 54 1.022 14.082 -8.710 1.00 54.03 C ATOM 858 CE LYS A 54 -0.400 14.095 -9.294 1.00 62.51 C ATOM 859 NZ LYS A 54 -0.469 14.908 -10.542 1.00 51.53 N ATOM 0 H LYS A 54 2.452 12.779 -5.225 1.00 3.00 H new ATOM 0 HA LYS A 54 -0.156 13.309 -4.208 1.00 22.43 H new ATOM 0 HB2 LYS A 54 -0.632 13.967 -6.552 1.00 13.22 H new ATOM 0 HB3 LYS A 54 0.842 14.691 -5.941 1.00 13.22 H new ATOM 0 HG2 LYS A 54 2.220 13.108 -7.203 1.00 63.02 H new ATOM 0 HG3 LYS A 54 0.807 12.193 -7.690 1.00 63.02 H new ATOM 0 HD2 LYS A 54 1.312 15.102 -8.458 1.00 54.03 H new ATOM 0 HD3 LYS A 54 1.717 13.733 -9.474 1.00 54.03 H new ATOM 0 HE2 LYS A 54 -0.717 13.074 -9.505 1.00 62.51 H new ATOM 0 HE3 LYS A 54 -1.094 14.498 -8.557 1.00 62.51 H new ATOM 0 HZ1 LYS A 54 -1.441 14.896 -10.911 1.00 51.53 H new ATOM 0 HZ2 LYS A 54 -0.189 15.888 -10.334 1.00 51.53 H new ATOM 0 HZ3 LYS A 54 0.176 14.508 -11.253 1.00 51.53 H new ATOM 873 N ARG A 55 0.252 10.520 -5.901 1.00 43.41 N ATOM 874 CA ARG A 55 -0.312 9.216 -6.258 1.00 22.13 C ATOM 875 C ARG A 55 0.600 8.124 -5.697 1.00 21.15 C ATOM 876 O ARG A 55 1.815 8.184 -5.852 1.00 23.21 O ATOM 877 CB ARG A 55 -0.434 9.080 -7.805 1.00 21.24 C ATOM 878 CG ARG A 55 -1.413 10.083 -8.458 1.00 74.14 C ATOM 879 CD ARG A 55 -2.873 9.862 -8.022 1.00 34.41 C ATOM 880 NE ARG A 55 -3.761 10.922 -8.530 1.00 20.20 N ATOM 881 CZ ARG A 55 -4.675 10.784 -9.503 1.00 14.21 C ATOM 882 NH1 ARG A 55 -4.855 9.616 -10.119 1.00 4.21 N ATOM 883 NH2 ARG A 55 -5.423 11.819 -9.844 1.00 52.12 N ATOM 0 H ARG A 55 1.245 10.601 -6.120 1.00 43.41 H new ATOM 0 HA ARG A 55 -1.312 9.118 -5.835 1.00 22.13 H new ATOM 0 HB2 ARG A 55 0.553 9.213 -8.248 1.00 21.24 H new ATOM 0 HB3 ARG A 55 -0.757 8.067 -8.044 1.00 21.24 H new ATOM 0 HG2 ARG A 55 -1.111 11.098 -8.200 1.00 74.14 H new ATOM 0 HG3 ARG A 55 -1.345 9.996 -9.542 1.00 74.14 H new ATOM 0 HD2 ARG A 55 -3.218 8.894 -8.384 1.00 34.41 H new ATOM 0 HD3 ARG A 55 -2.927 9.833 -6.934 1.00 34.41 H new ATOM 0 HE ARG A 55 -3.673 11.844 -8.104 1.00 20.20 H new ATOM 0 HH11 ARG A 55 -4.293 8.807 -9.853 1.00 4.21 H new ATOM 0 HH12 ARG A 55 -5.555 9.531 -10.856 1.00 4.21 H new ATOM 0 HH21 ARG A 55 -5.303 12.714 -9.369 1.00 52.12 H new ATOM 0 HH22 ARG A 55 -6.120 11.723 -10.582 1.00 52.12 H new ATOM 897 N VAL A 56 0.004 7.163 -4.995 1.00 4.33 N ATOM 898 CA VAL A 56 0.677 5.934 -4.554 1.00 71.03 C ATOM 899 C VAL A 56 -0.197 4.768 -5.021 1.00 54.32 C ATOM 900 O VAL A 56 -1.337 4.679 -4.614 1.00 51.53 O ATOM 901 CB VAL A 56 0.831 5.902 -2.975 1.00 62.24 C ATOM 902 CG1 VAL A 56 1.368 4.544 -2.464 1.00 14.11 C ATOM 903 CG2 VAL A 56 1.718 7.065 -2.473 1.00 60.43 C ATOM 0 H VAL A 56 -0.974 7.213 -4.710 1.00 4.33 H new ATOM 0 HA VAL A 56 1.681 5.875 -4.974 1.00 71.03 H new ATOM 0 HB VAL A 56 -0.169 6.030 -2.562 1.00 62.24 H new ATOM 0 HG11 VAL A 56 1.456 4.573 -1.378 1.00 14.11 H new ATOM 0 HG12 VAL A 56 0.680 3.749 -2.752 1.00 14.11 H new ATOM 0 HG13 VAL A 56 2.347 4.352 -2.902 1.00 14.11 H new ATOM 0 HG21 VAL A 56 1.804 7.015 -1.388 1.00 60.43 H new ATOM 0 HG22 VAL A 56 2.709 6.985 -2.919 1.00 60.43 H new ATOM 0 HG23 VAL A 56 1.267 8.016 -2.758 1.00 60.43 H new ATOM 913 N LYS A 57 0.316 3.887 -5.868 1.00 60.43 N ATOM 914 CA LYS A 57 -0.478 2.792 -6.452 1.00 21.23 C ATOM 915 C LYS A 57 0.049 1.445 -5.955 1.00 2.11 C ATOM 916 O LYS A 57 1.206 1.108 -6.166 1.00 12.33 O ATOM 917 CB LYS A 57 -0.429 2.898 -7.999 1.00 65.24 C ATOM 918 CG LYS A 57 -1.167 4.154 -8.571 1.00 11.11 C ATOM 919 CD LYS A 57 -0.336 4.925 -9.619 1.00 34.33 C ATOM 920 CE LYS A 57 0.107 4.057 -10.807 1.00 22.33 C ATOM 921 NZ LYS A 57 1.021 4.803 -11.718 1.00 34.11 N ATOM 0 H LYS A 57 1.289 3.902 -6.175 1.00 60.43 H new ATOM 0 HA LYS A 57 -1.519 2.871 -6.138 1.00 21.23 H new ATOM 0 HB2 LYS A 57 0.613 2.923 -8.319 1.00 65.24 H new ATOM 0 HB3 LYS A 57 -0.873 2.000 -8.429 1.00 65.24 H new ATOM 0 HG2 LYS A 57 -2.108 3.840 -9.023 1.00 11.11 H new ATOM 0 HG3 LYS A 57 -1.417 4.826 -7.750 1.00 11.11 H new ATOM 0 HD2 LYS A 57 -0.923 5.764 -9.991 1.00 34.33 H new ATOM 0 HD3 LYS A 57 0.547 5.343 -9.135 1.00 34.33 H new ATOM 0 HE2 LYS A 57 0.609 3.163 -10.438 1.00 22.33 H new ATOM 0 HE3 LYS A 57 -0.770 3.724 -11.362 1.00 22.33 H new ATOM 0 HZ1 LYS A 57 0.943 4.417 -12.680 1.00 34.11 H new ATOM 0 HZ2 LYS A 57 0.758 5.809 -11.726 1.00 34.11 H new ATOM 0 HZ3 LYS A 57 2.001 4.704 -11.384 1.00 34.11 H new ATOM 935 N ILE A 58 -0.828 0.687 -5.300 1.00 74.03 N ATOM 936 CA ILE A 58 -0.523 -0.637 -4.762 1.00 2.30 C ATOM 937 C ILE A 58 -1.065 -1.663 -5.756 1.00 11.34 C ATOM 938 O ILE A 58 -2.266 -1.791 -5.921 1.00 34.13 O ATOM 939 CB ILE A 58 -1.225 -0.822 -3.359 1.00 64.13 C ATOM 940 CG1 ILE A 58 -0.752 0.291 -2.365 1.00 44.14 C ATOM 941 CG2 ILE A 58 -0.995 -2.249 -2.793 1.00 33.33 C ATOM 942 CD1 ILE A 58 -1.512 0.336 -1.051 1.00 22.45 C ATOM 0 H ILE A 58 -1.789 0.982 -5.125 1.00 74.03 H new ATOM 0 HA ILE A 58 0.551 -0.762 -4.623 1.00 2.30 H new ATOM 0 HB ILE A 58 -2.301 -0.712 -3.493 1.00 64.13 H new ATOM 0 HG12 ILE A 58 0.306 0.142 -2.151 1.00 44.14 H new ATOM 0 HG13 ILE A 58 -0.845 1.260 -2.856 1.00 44.14 H new ATOM 0 HG21 ILE A 58 -1.491 -2.342 -1.827 1.00 33.33 H new ATOM 0 HG22 ILE A 58 -1.406 -2.985 -3.484 1.00 33.33 H new ATOM 0 HG23 ILE A 58 0.074 -2.424 -2.670 1.00 33.33 H new ATOM 0 HD11 ILE A 58 -1.115 1.137 -0.428 1.00 22.45 H new ATOM 0 HD12 ILE A 58 -2.568 0.519 -1.248 1.00 22.45 H new ATOM 0 HD13 ILE A 58 -1.399 -0.616 -0.533 1.00 22.45 H new ATOM 954 N ARG A 59 -0.161 -2.377 -6.414 1.00 3.34 N ATOM 955 CA ARG A 59 -0.501 -3.408 -7.396 1.00 61.00 C ATOM 956 C ARG A 59 -0.082 -4.759 -6.826 1.00 15.25 C ATOM 957 O ARG A 59 1.063 -4.933 -6.410 1.00 4.12 O ATOM 958 CB ARG A 59 0.205 -3.121 -8.751 1.00 75.44 C ATOM 959 CG ARG A 59 -0.210 -4.079 -9.890 1.00 44.32 C ATOM 960 CD ARG A 59 0.251 -3.616 -11.286 1.00 63.01 C ATOM 961 NE ARG A 59 1.702 -3.726 -11.507 1.00 21.22 N ATOM 962 CZ ARG A 59 2.340 -3.286 -12.610 1.00 23.03 C ATOM 963 NH1 ARG A 59 1.675 -2.691 -13.599 1.00 44.01 N ATOM 964 NH2 ARG A 59 3.645 -3.473 -12.738 1.00 42.11 N ATOM 0 H ARG A 59 0.843 -2.258 -6.282 1.00 3.34 H new ATOM 0 HA ARG A 59 -1.574 -3.411 -7.589 1.00 61.00 H new ATOM 0 HB2 ARG A 59 -0.014 -2.097 -9.053 1.00 75.44 H new ATOM 0 HB3 ARG A 59 1.284 -3.188 -8.609 1.00 75.44 H new ATOM 0 HG2 ARG A 59 0.203 -5.068 -9.690 1.00 44.32 H new ATOM 0 HG3 ARG A 59 -1.295 -4.181 -9.890 1.00 44.32 H new ATOM 0 HD2 ARG A 59 -0.267 -4.206 -12.042 1.00 63.01 H new ATOM 0 HD3 ARG A 59 -0.050 -2.578 -11.431 1.00 63.01 H new ATOM 0 HE ARG A 59 2.263 -4.165 -10.776 1.00 21.22 H new ATOM 0 HH11 ARG A 59 0.666 -2.562 -13.529 1.00 44.01 H new ATOM 0 HH12 ARG A 59 2.175 -2.365 -14.426 1.00 44.01 H new ATOM 0 HH21 ARG A 59 4.166 -3.950 -12.002 1.00 42.11 H new ATOM 0 HH22 ARG A 59 4.128 -3.140 -13.572 1.00 42.11 H new ATOM 978 N PHE A 60 -1.015 -5.708 -6.809 1.00 74.33 N ATOM 979 CA PHE A 60 -0.804 -7.024 -6.207 1.00 3.12 C ATOM 980 C PHE A 60 -1.673 -8.066 -6.948 1.00 55.54 C ATOM 981 O PHE A 60 -2.799 -7.771 -7.345 1.00 13.31 O ATOM 982 CB PHE A 60 -1.144 -6.966 -4.684 1.00 42.30 C ATOM 983 CG PHE A 60 -0.911 -8.291 -3.960 1.00 72.12 C ATOM 984 CD1 PHE A 60 0.373 -8.769 -3.759 1.00 21.15 C ATOM 985 CD2 PHE A 60 -1.969 -9.086 -3.554 1.00 11.01 C ATOM 986 CE1 PHE A 60 0.587 -9.991 -3.151 1.00 51.15 C ATOM 987 CE2 PHE A 60 -1.755 -10.312 -2.958 1.00 14.10 C ATOM 988 CZ PHE A 60 -0.479 -10.766 -2.761 1.00 5.11 C ATOM 0 H PHE A 60 -1.943 -5.586 -7.214 1.00 74.33 H new ATOM 0 HA PHE A 60 0.240 -7.321 -6.302 1.00 3.12 H new ATOM 0 HB2 PHE A 60 -0.538 -6.192 -4.213 1.00 42.30 H new ATOM 0 HB3 PHE A 60 -2.187 -6.673 -4.563 1.00 42.30 H new ATOM 0 HD1 PHE A 60 1.218 -8.179 -4.082 1.00 21.15 H new ATOM 0 HD2 PHE A 60 -2.981 -8.740 -3.707 1.00 11.01 H new ATOM 0 HE1 PHE A 60 1.595 -10.338 -2.982 1.00 51.15 H new ATOM 0 HE2 PHE A 60 -2.596 -10.914 -2.647 1.00 14.10 H new ATOM 0 HZ PHE A 60 -0.311 -11.729 -2.301 1.00 5.11 H new ATOM 998 N GLU A 61 -1.141 -9.287 -7.111 1.00 52.03 N ATOM 999 CA GLU A 61 -1.807 -10.374 -7.871 1.00 54.50 C ATOM 1000 C GLU A 61 -2.933 -11.036 -7.051 1.00 30.42 C ATOM 1001 O GLU A 61 -2.923 -10.991 -5.820 1.00 62.34 O ATOM 1002 CB GLU A 61 -0.768 -11.453 -8.260 1.00 1.43 C ATOM 1003 CG GLU A 61 0.428 -10.914 -9.062 1.00 34.41 C ATOM 1004 CD GLU A 61 1.411 -12.026 -9.454 1.00 1.11 C ATOM 1005 OE1 GLU A 61 1.203 -12.684 -10.501 1.00 45.02 O ATOM 1006 OE2 GLU A 61 2.365 -12.291 -8.693 1.00 44.12 O ATOM 0 H GLU A 61 -0.237 -9.556 -6.722 1.00 52.03 H new ATOM 0 HA GLU A 61 -2.247 -9.930 -8.764 1.00 54.50 H new ATOM 0 HB2 GLU A 61 -0.398 -11.929 -7.352 1.00 1.43 H new ATOM 0 HB3 GLU A 61 -1.265 -12.226 -8.846 1.00 1.43 H new ATOM 0 HG2 GLU A 61 0.066 -10.418 -9.962 1.00 34.41 H new ATOM 0 HG3 GLU A 61 0.950 -10.161 -8.471 1.00 34.41 H new ATOM 1013 N LYS A 62 -3.904 -11.631 -7.759 1.00 50.23 N ATOM 1014 CA LYS A 62 -4.883 -12.587 -7.190 1.00 12.42 C ATOM 1015 C LYS A 62 -4.688 -13.923 -7.944 1.00 53.54 C ATOM 1016 O LYS A 62 -3.916 -14.778 -7.499 1.00 51.22 O ATOM 1017 CB LYS A 62 -6.349 -12.055 -7.296 1.00 63.25 C ATOM 1018 CG LYS A 62 -6.723 -10.832 -6.422 1.00 53.32 C ATOM 1019 CD LYS A 62 -6.913 -11.155 -4.909 1.00 23.05 C ATOM 1020 CE LYS A 62 -5.624 -11.107 -4.072 1.00 5.23 C ATOM 1021 NZ LYS A 62 -4.998 -9.758 -4.065 1.00 72.41 N ATOM 0 H LYS A 62 -4.039 -11.464 -8.756 1.00 50.23 H new ATOM 0 HA LYS A 62 -4.711 -12.725 -6.123 1.00 12.42 H new ATOM 0 HB2 LYS A 62 -6.540 -11.797 -8.338 1.00 63.25 H new ATOM 0 HB3 LYS A 62 -7.024 -12.872 -7.041 1.00 63.25 H new ATOM 0 HG2 LYS A 62 -5.945 -10.076 -6.525 1.00 53.32 H new ATOM 0 HG3 LYS A 62 -7.645 -10.395 -6.806 1.00 53.32 H new ATOM 0 HD2 LYS A 62 -7.629 -10.449 -4.488 1.00 23.05 H new ATOM 0 HD3 LYS A 62 -7.353 -12.148 -4.816 1.00 23.05 H new ATOM 0 HE2 LYS A 62 -5.849 -11.405 -3.048 1.00 5.23 H new ATOM 0 HE3 LYS A 62 -4.912 -11.832 -4.466 1.00 5.23 H new ATOM 0 HZ1 LYS A 62 -4.172 -9.762 -3.433 1.00 72.41 H new ATOM 0 HZ2 LYS A 62 -4.696 -9.510 -5.029 1.00 72.41 H new ATOM 0 HZ3 LYS A 62 -5.688 -9.057 -3.728 1.00 72.41 H new ATOM 1035 N LYS A 63 -5.359 -14.056 -9.119 1.00 33.52 N ATOM 1036 CA LYS A 63 -5.134 -15.127 -10.111 1.00 23.14 C ATOM 1037 C LYS A 63 -5.547 -16.516 -9.583 1.00 64.41 C ATOM 1038 O LYS A 63 -6.629 -17.017 -9.934 1.00 43.25 O ATOM 1039 CB LYS A 63 -3.667 -15.079 -10.641 1.00 70.50 C ATOM 1040 CG LYS A 63 -3.319 -16.124 -11.724 1.00 62.15 C ATOM 1041 CD LYS A 63 -1.917 -15.889 -12.339 1.00 62.24 C ATOM 1042 CE LYS A 63 -0.786 -15.899 -11.293 1.00 65.31 C ATOM 1043 NZ LYS A 63 0.537 -15.523 -11.882 1.00 5.13 N ATOM 0 H LYS A 63 -6.088 -13.402 -9.404 1.00 33.52 H new ATOM 0 HA LYS A 63 -5.790 -14.944 -10.962 1.00 23.14 H new ATOM 0 HB2 LYS A 63 -3.477 -14.085 -11.045 1.00 70.50 H new ATOM 0 HB3 LYS A 63 -2.990 -15.215 -9.798 1.00 70.50 H new ATOM 0 HG2 LYS A 63 -3.360 -17.122 -11.289 1.00 62.15 H new ATOM 0 HG3 LYS A 63 -4.070 -16.090 -12.513 1.00 62.15 H new ATOM 0 HD2 LYS A 63 -1.721 -16.660 -13.084 1.00 62.24 H new ATOM 0 HD3 LYS A 63 -1.912 -14.932 -12.861 1.00 62.24 H new ATOM 0 HE2 LYS A 63 -1.033 -15.207 -10.488 1.00 65.31 H new ATOM 0 HE3 LYS A 63 -0.714 -16.892 -10.849 1.00 65.31 H new ATOM 0 HZ1 LYS A 63 1.240 -16.254 -11.651 1.00 5.13 H new ATOM 0 HZ2 LYS A 63 0.447 -15.443 -12.915 1.00 5.13 H new ATOM 0 HZ3 LYS A 63 0.845 -14.610 -11.490 1.00 5.13 H new ATOM 1057 N GLY A 64 -4.711 -17.117 -8.718 1.00 25.03 N ATOM 1058 CA GLY A 64 -4.962 -18.460 -8.197 1.00 3.00 C ATOM 1059 C GLY A 64 -4.349 -18.704 -6.828 1.00 33.31 C ATOM 1060 O GLY A 64 -4.033 -19.856 -6.496 1.00 12.42 O ATOM 0 H GLY A 64 -3.855 -16.687 -8.368 1.00 25.03 H new ATOM 0 HA2 GLY A 64 -6.038 -18.623 -8.139 1.00 3.00 H new ATOM 0 HA3 GLY A 64 -4.566 -19.193 -8.899 1.00 3.00 H new ATOM 1064 N LEU A 65 -4.197 -17.642 -6.010 1.00 14.14 N ATOM 1065 CA LEU A 65 -3.760 -17.804 -4.604 1.00 22.41 C ATOM 1066 C LEU A 65 -4.937 -18.295 -3.744 1.00 4.11 C ATOM 1067 O LEU A 65 -6.097 -18.264 -4.184 1.00 52.15 O ATOM 1068 CB LEU A 65 -3.109 -16.490 -4.026 1.00 23.22 C ATOM 1069 CG LEU A 65 -3.796 -15.110 -4.353 1.00 42.55 C ATOM 1070 CD1 LEU A 65 -5.143 -14.937 -3.645 1.00 4.43 C ATOM 1071 CD2 LEU A 65 -2.864 -13.918 -4.039 1.00 74.34 C ATOM 0 H LEU A 65 -4.367 -16.676 -6.291 1.00 14.14 H new ATOM 0 HA LEU A 65 -2.975 -18.560 -4.576 1.00 22.41 H new ATOM 0 HB2 LEU A 65 -3.064 -16.590 -2.942 1.00 23.22 H new ATOM 0 HB3 LEU A 65 -2.081 -16.443 -4.385 1.00 23.22 H new ATOM 0 HG LEU A 65 -3.992 -15.121 -5.425 1.00 42.55 H new ATOM 0 HD11 LEU A 65 -5.570 -13.969 -3.907 1.00 4.43 H new ATOM 0 HD12 LEU A 65 -5.823 -15.730 -3.957 1.00 4.43 H new ATOM 0 HD13 LEU A 65 -4.996 -14.989 -2.566 1.00 4.43 H new ATOM 0 HD21 LEU A 65 -3.374 -12.985 -4.278 1.00 74.34 H new ATOM 0 HD22 LEU A 65 -2.604 -13.929 -2.981 1.00 74.34 H new ATOM 0 HD23 LEU A 65 -1.956 -13.999 -4.637 1.00 74.34 H new ATOM 1083 N ASP A 66 -4.627 -18.738 -2.521 1.00 24.41 N ATOM 1084 CA ASP A 66 -5.629 -19.262 -1.576 1.00 50.51 C ATOM 1085 C ASP A 66 -6.616 -18.144 -1.165 1.00 30.50 C ATOM 1086 O ASP A 66 -6.228 -16.973 -1.124 1.00 43.31 O ATOM 1087 CB ASP A 66 -4.902 -19.855 -0.345 1.00 1.53 C ATOM 1088 CG ASP A 66 -5.849 -20.521 0.663 1.00 55.01 C ATOM 1089 OD1 ASP A 66 -6.432 -21.575 0.343 1.00 25.05 O ATOM 1090 OD2 ASP A 66 -6.037 -19.988 1.764 1.00 31.10 O ATOM 0 H ASP A 66 -3.675 -18.745 -2.155 1.00 24.41 H new ATOM 0 HA ASP A 66 -6.210 -20.051 -2.053 1.00 50.51 H new ATOM 0 HB2 ASP A 66 -4.170 -20.589 -0.684 1.00 1.53 H new ATOM 0 HB3 ASP A 66 -4.349 -19.062 0.158 1.00 1.53 H new ATOM 1095 N ASP A 67 -7.887 -18.517 -0.876 1.00 23.13 N ATOM 1096 CA ASP A 67 -8.963 -17.548 -0.507 1.00 43.53 C ATOM 1097 C ASP A 67 -8.599 -16.721 0.738 1.00 3.14 C ATOM 1098 O ASP A 67 -8.993 -15.554 0.849 1.00 42.11 O ATOM 1099 CB ASP A 67 -10.330 -18.265 -0.295 1.00 34.21 C ATOM 1100 CG ASP A 67 -11.437 -17.329 0.259 1.00 54.51 C ATOM 1101 OD1 ASP A 67 -11.917 -16.458 -0.485 1.00 21.23 O ATOM 1102 OD2 ASP A 67 -11.810 -17.442 1.444 1.00 21.30 O ATOM 0 H ASP A 67 -8.199 -19.488 -0.890 1.00 23.13 H new ATOM 0 HA ASP A 67 -9.059 -16.861 -1.348 1.00 43.53 H new ATOM 0 HB2 ASP A 67 -10.662 -18.686 -1.244 1.00 34.21 H new ATOM 0 HB3 ASP A 67 -10.192 -19.099 0.393 1.00 34.21 H new ATOM 1107 N ASP A 68 -7.821 -17.324 1.647 1.00 64.42 N ATOM 1108 CA ASP A 68 -7.368 -16.650 2.871 1.00 74.00 C ATOM 1109 C ASP A 68 -6.388 -15.534 2.491 1.00 13.12 C ATOM 1110 O ASP A 68 -6.532 -14.404 2.952 1.00 40.31 O ATOM 1111 CB ASP A 68 -6.706 -17.642 3.853 1.00 71.03 C ATOM 1112 CG ASP A 68 -6.249 -16.959 5.150 1.00 21.43 C ATOM 1113 OD1 ASP A 68 -7.115 -16.679 5.995 1.00 44.14 O ATOM 1114 OD2 ASP A 68 -5.043 -16.668 5.315 1.00 32.33 O ATOM 0 H ASP A 68 -7.490 -18.285 1.556 1.00 64.42 H new ATOM 0 HA ASP A 68 -8.234 -16.225 3.379 1.00 74.00 H new ATOM 0 HB2 ASP A 68 -7.411 -18.438 4.093 1.00 71.03 H new ATOM 0 HB3 ASP A 68 -5.849 -18.111 3.370 1.00 71.03 H new ATOM 1119 N ALA A 69 -5.439 -15.873 1.598 1.00 73.10 N ATOM 1120 CA ALA A 69 -4.458 -14.917 1.056 1.00 61.45 C ATOM 1121 C ALA A 69 -5.152 -13.793 0.255 1.00 61.32 C ATOM 1122 O ALA A 69 -4.677 -12.661 0.232 1.00 12.42 O ATOM 1123 CB ALA A 69 -3.432 -15.647 0.172 1.00 51.21 C ATOM 0 H ALA A 69 -5.332 -16.819 1.232 1.00 73.10 H new ATOM 0 HA ALA A 69 -3.938 -14.458 1.897 1.00 61.45 H new ATOM 0 HB1 ALA A 69 -2.714 -14.928 -0.221 1.00 51.21 H new ATOM 0 HB2 ALA A 69 -2.908 -16.396 0.766 1.00 51.21 H new ATOM 0 HB3 ALA A 69 -3.947 -16.135 -0.655 1.00 51.21 H new ATOM 1129 N ARG A 70 -6.283 -14.129 -0.398 1.00 21.41 N ATOM 1130 CA ARG A 70 -7.111 -13.160 -1.150 1.00 13.10 C ATOM 1131 C ARG A 70 -7.759 -12.152 -0.194 1.00 41.51 C ATOM 1132 O ARG A 70 -7.633 -10.939 -0.379 1.00 53.14 O ATOM 1133 CB ARG A 70 -8.200 -13.906 -1.980 1.00 42.50 C ATOM 1134 CG ARG A 70 -9.204 -12.982 -2.710 1.00 42.40 C ATOM 1135 CD ARG A 70 -10.064 -13.721 -3.749 1.00 23.21 C ATOM 1136 NE ARG A 70 -10.943 -14.755 -3.173 1.00 63.13 N ATOM 1137 CZ ARG A 70 -11.724 -15.581 -3.900 1.00 10.21 C ATOM 1138 NH1 ARG A 70 -11.727 -15.520 -5.236 1.00 32.30 N ATOM 1139 NH2 ARG A 70 -12.527 -16.438 -3.288 1.00 13.04 N ATOM 0 H ARG A 70 -6.650 -15.081 -0.420 1.00 21.41 H new ATOM 0 HA ARG A 70 -6.466 -12.614 -1.838 1.00 13.10 H new ATOM 0 HB2 ARG A 70 -7.705 -14.537 -2.718 1.00 42.50 H new ATOM 0 HB3 ARG A 70 -8.754 -14.568 -1.315 1.00 42.50 H new ATOM 0 HG2 ARG A 70 -9.858 -12.514 -1.974 1.00 42.40 H new ATOM 0 HG3 ARG A 70 -8.656 -12.181 -3.206 1.00 42.40 H new ATOM 0 HD2 ARG A 70 -10.676 -12.994 -4.282 1.00 23.21 H new ATOM 0 HD3 ARG A 70 -9.408 -14.185 -4.485 1.00 23.21 H new ATOM 0 HE ARG A 70 -10.962 -14.852 -2.158 1.00 63.13 H new ATOM 0 HH11 ARG A 70 -11.134 -14.843 -5.717 1.00 32.30 H new ATOM 0 HH12 ARG A 70 -12.322 -16.150 -5.774 1.00 32.30 H new ATOM 0 HH21 ARG A 70 -12.554 -16.473 -2.269 1.00 13.04 H new ATOM 0 HH22 ARG A 70 -13.118 -17.063 -3.836 1.00 13.04 H new ATOM 1153 N LYS A 71 -8.394 -12.694 0.852 1.00 32.51 N ATOM 1154 CA LYS A 71 -9.220 -11.935 1.799 1.00 74.33 C ATOM 1155 C LYS A 71 -8.346 -11.083 2.737 1.00 65.33 C ATOM 1156 O LYS A 71 -8.761 -9.996 3.164 1.00 1.41 O ATOM 1157 CB LYS A 71 -10.119 -12.911 2.588 1.00 74.32 C ATOM 1158 CG LYS A 71 -11.187 -12.231 3.464 1.00 62.33 C ATOM 1159 CD LYS A 71 -12.116 -13.249 4.158 1.00 3.12 C ATOM 1160 CE LYS A 71 -12.898 -14.131 3.164 1.00 41.42 C ATOM 1161 NZ LYS A 71 -13.819 -15.073 3.860 1.00 72.14 N ATOM 0 H LYS A 71 -8.347 -13.690 1.068 1.00 32.51 H new ATOM 0 HA LYS A 71 -9.856 -11.243 1.247 1.00 74.33 H new ATOM 0 HB2 LYS A 71 -10.616 -13.577 1.883 1.00 74.32 H new ATOM 0 HB3 LYS A 71 -9.488 -13.533 3.224 1.00 74.32 H new ATOM 0 HG2 LYS A 71 -10.696 -11.618 4.220 1.00 62.33 H new ATOM 0 HG3 LYS A 71 -11.785 -11.560 2.847 1.00 62.33 H new ATOM 0 HD2 LYS A 71 -11.521 -13.888 4.811 1.00 3.12 H new ATOM 0 HD3 LYS A 71 -12.822 -12.713 4.793 1.00 3.12 H new ATOM 0 HE2 LYS A 71 -13.471 -13.496 2.489 1.00 41.42 H new ATOM 0 HE3 LYS A 71 -12.196 -14.696 2.551 1.00 41.42 H new ATOM 0 HZ1 LYS A 71 -14.325 -15.647 3.156 1.00 72.14 H new ATOM 0 HZ2 LYS A 71 -13.270 -15.697 4.485 1.00 72.14 H new ATOM 0 HZ3 LYS A 71 -14.505 -14.533 4.425 1.00 72.14 H new ATOM 1175 N LYS A 72 -7.137 -11.587 3.042 1.00 44.02 N ATOM 1176 CA LYS A 72 -6.148 -10.838 3.831 1.00 65.04 C ATOM 1177 C LYS A 72 -5.609 -9.667 2.998 1.00 55.23 C ATOM 1178 O LYS A 72 -5.681 -8.531 3.438 1.00 65.45 O ATOM 1179 CB LYS A 72 -4.965 -11.736 4.291 1.00 70.12 C ATOM 1180 CG LYS A 72 -5.299 -12.785 5.376 1.00 41.54 C ATOM 1181 CD LYS A 72 -5.921 -12.155 6.650 1.00 50.23 C ATOM 1182 CE LYS A 72 -5.951 -13.131 7.839 1.00 74.41 C ATOM 1183 NZ LYS A 72 -6.602 -14.422 7.510 1.00 63.01 N ATOM 0 H LYS A 72 -6.823 -12.513 2.752 1.00 44.02 H new ATOM 0 HA LYS A 72 -6.649 -10.468 4.725 1.00 65.04 H new ATOM 0 HB2 LYS A 72 -4.568 -12.256 3.419 1.00 70.12 H new ATOM 0 HB3 LYS A 72 -4.170 -11.092 4.667 1.00 70.12 H new ATOM 0 HG2 LYS A 72 -5.991 -13.519 4.964 1.00 41.54 H new ATOM 0 HG3 LYS A 72 -4.390 -13.322 5.648 1.00 41.54 H new ATOM 0 HD2 LYS A 72 -5.351 -11.268 6.927 1.00 50.23 H new ATOM 0 HD3 LYS A 72 -6.936 -11.826 6.429 1.00 50.23 H new ATOM 0 HE2 LYS A 72 -4.931 -13.319 8.174 1.00 74.41 H new ATOM 0 HE3 LYS A 72 -6.479 -12.665 8.671 1.00 74.41 H new ATOM 0 HZ1 LYS A 72 -6.639 -15.019 8.361 1.00 63.01 H new ATOM 0 HZ2 LYS A 72 -7.568 -14.246 7.168 1.00 63.01 H new ATOM 0 HZ3 LYS A 72 -6.056 -14.907 6.770 1.00 63.01 H new ATOM 1197 N ALA A 73 -5.132 -9.979 1.775 1.00 62.04 N ATOM 1198 CA ALA A 73 -4.425 -9.018 0.897 1.00 51.42 C ATOM 1199 C ALA A 73 -5.330 -7.885 0.391 1.00 10.04 C ATOM 1200 O ALA A 73 -4.847 -6.766 0.167 1.00 43.32 O ATOM 1201 CB ALA A 73 -3.808 -9.751 -0.294 1.00 54.15 C ATOM 0 H ALA A 73 -5.226 -10.908 1.365 1.00 62.04 H new ATOM 0 HA ALA A 73 -3.645 -8.558 1.504 1.00 51.42 H new ATOM 0 HB1 ALA A 73 -3.291 -9.036 -0.933 1.00 54.15 H new ATOM 0 HB2 ALA A 73 -3.098 -10.496 0.065 1.00 54.15 H new ATOM 0 HB3 ALA A 73 -4.595 -10.245 -0.865 1.00 54.15 H new ATOM 1207 N LYS A 74 -6.627 -8.187 0.193 1.00 44.02 N ATOM 1208 CA LYS A 74 -7.602 -7.191 -0.291 1.00 74.43 C ATOM 1209 C LYS A 74 -7.881 -6.141 0.805 1.00 34.35 C ATOM 1210 O LYS A 74 -7.953 -4.945 0.529 1.00 74.21 O ATOM 1211 CB LYS A 74 -8.923 -7.856 -0.778 1.00 20.54 C ATOM 1212 CG LYS A 74 -9.777 -8.535 0.317 1.00 61.11 C ATOM 1213 CD LYS A 74 -11.090 -9.145 -0.224 1.00 61.05 C ATOM 1214 CE LYS A 74 -12.037 -8.092 -0.822 1.00 61.11 C ATOM 1215 NZ LYS A 74 -13.277 -8.710 -1.366 1.00 23.13 N ATOM 0 H LYS A 74 -7.024 -9.112 0.360 1.00 44.02 H new ATOM 0 HA LYS A 74 -7.164 -6.689 -1.154 1.00 74.43 H new ATOM 0 HB2 LYS A 74 -9.531 -7.096 -1.268 1.00 20.54 H new ATOM 0 HB3 LYS A 74 -8.675 -8.601 -1.534 1.00 20.54 H new ATOM 0 HG2 LYS A 74 -9.189 -9.320 0.793 1.00 61.11 H new ATOM 0 HG3 LYS A 74 -10.015 -7.803 1.089 1.00 61.11 H new ATOM 0 HD2 LYS A 74 -10.853 -9.887 -0.986 1.00 61.05 H new ATOM 0 HD3 LYS A 74 -11.601 -9.669 0.584 1.00 61.05 H new ATOM 0 HE2 LYS A 74 -12.300 -7.363 -0.056 1.00 61.11 H new ATOM 0 HE3 LYS A 74 -11.523 -7.549 -1.615 1.00 61.11 H new ATOM 0 HZ1 LYS A 74 -13.890 -7.968 -1.760 1.00 23.13 H new ATOM 0 HZ2 LYS A 74 -13.028 -9.387 -2.115 1.00 23.13 H new ATOM 0 HZ3 LYS A 74 -13.781 -9.207 -0.604 1.00 23.13 H new ATOM 1229 N LYS A 75 -7.991 -6.628 2.050 1.00 64.01 N ATOM 1230 CA LYS A 75 -8.202 -5.799 3.246 1.00 11.45 C ATOM 1231 C LYS A 75 -6.909 -5.030 3.581 1.00 11.41 C ATOM 1232 O LYS A 75 -6.946 -3.842 3.903 1.00 24.43 O ATOM 1233 CB LYS A 75 -8.615 -6.729 4.419 1.00 32.03 C ATOM 1234 CG LYS A 75 -8.859 -6.028 5.776 1.00 33.20 C ATOM 1235 CD LYS A 75 -9.244 -7.025 6.897 1.00 55.52 C ATOM 1236 CE LYS A 75 -10.534 -7.812 6.600 1.00 12.22 C ATOM 1237 NZ LYS A 75 -10.891 -8.747 7.707 1.00 14.25 N ATOM 0 H LYS A 75 -7.935 -7.625 2.257 1.00 64.01 H new ATOM 0 HA LYS A 75 -8.991 -5.068 3.070 1.00 11.45 H new ATOM 0 HB2 LYS A 75 -9.525 -7.259 4.136 1.00 32.03 H new ATOM 0 HB3 LYS A 75 -7.837 -7.481 4.554 1.00 32.03 H new ATOM 0 HG2 LYS A 75 -7.959 -5.487 6.069 1.00 33.20 H new ATOM 0 HG3 LYS A 75 -9.653 -5.290 5.662 1.00 33.20 H new ATOM 0 HD2 LYS A 75 -8.424 -7.728 7.045 1.00 55.52 H new ATOM 0 HD3 LYS A 75 -9.368 -6.479 7.832 1.00 55.52 H new ATOM 0 HE2 LYS A 75 -11.355 -7.113 6.438 1.00 12.22 H new ATOM 0 HE3 LYS A 75 -10.409 -8.376 5.676 1.00 12.22 H new ATOM 0 HZ1 LYS A 75 -11.765 -9.255 7.464 1.00 14.25 H new ATOM 0 HZ2 LYS A 75 -10.120 -9.431 7.846 1.00 14.25 H new ATOM 0 HZ3 LYS A 75 -11.037 -8.207 8.584 1.00 14.25 H new ATOM 1251 N TRP A 76 -5.784 -5.741 3.411 1.00 54.54 N ATOM 1252 CA TRP A 76 -4.432 -5.281 3.754 1.00 41.44 C ATOM 1253 C TRP A 76 -4.019 -4.073 2.908 1.00 61.11 C ATOM 1254 O TRP A 76 -3.541 -3.096 3.452 1.00 51.22 O ATOM 1255 CB TRP A 76 -3.431 -6.457 3.570 1.00 5.11 C ATOM 1256 CG TRP A 76 -1.978 -6.066 3.633 1.00 4.33 C ATOM 1257 CD1 TRP A 76 -1.260 -5.752 4.745 1.00 53.23 C ATOM 1258 CD2 TRP A 76 -1.079 -5.913 2.523 1.00 63.34 C ATOM 1259 NE1 TRP A 76 0.025 -5.439 4.398 1.00 74.41 N ATOM 1260 CE2 TRP A 76 0.162 -5.531 3.049 1.00 32.22 C ATOM 1261 CE3 TRP A 76 -1.206 -6.086 1.141 1.00 64.21 C ATOM 1262 CZ2 TRP A 76 1.267 -5.293 2.253 1.00 52.43 C ATOM 1263 CZ3 TRP A 76 -0.106 -5.846 0.341 1.00 13.11 C ATOM 1264 CH2 TRP A 76 1.119 -5.461 0.905 1.00 31.22 C ATOM 0 H TRP A 76 -5.792 -6.682 3.018 1.00 54.54 H new ATOM 0 HA TRP A 76 -4.424 -4.958 4.795 1.00 41.44 H new ATOM 0 HB2 TRP A 76 -3.625 -7.204 4.339 1.00 5.11 H new ATOM 0 HB3 TRP A 76 -3.623 -6.932 2.608 1.00 5.11 H new ATOM 0 HD1 TRP A 76 -1.648 -5.750 5.753 1.00 53.23 H new ATOM 0 HE1 TRP A 76 0.765 -5.177 5.050 1.00 74.41 H new ATOM 0 HE3 TRP A 76 -2.144 -6.401 0.709 1.00 64.21 H new ATOM 0 HZ2 TRP A 76 2.210 -4.986 2.680 1.00 52.43 H new ATOM 0 HZ3 TRP A 76 -0.190 -5.956 -0.730 1.00 13.11 H new ATOM 0 HH2 TRP A 76 1.967 -5.293 0.257 1.00 31.22 H new ATOM 1275 N ALA A 77 -4.215 -4.166 1.579 1.00 21.42 N ATOM 1276 CA ALA A 77 -3.823 -3.097 0.636 1.00 72.02 C ATOM 1277 C ALA A 77 -4.609 -1.794 0.906 1.00 45.31 C ATOM 1278 O ALA A 77 -4.098 -0.693 0.676 1.00 14.13 O ATOM 1279 CB ALA A 77 -4.019 -3.570 -0.805 1.00 12.13 C ATOM 0 H ALA A 77 -4.645 -4.975 1.131 1.00 21.42 H new ATOM 0 HA ALA A 77 -2.767 -2.875 0.788 1.00 72.02 H new ATOM 0 HB1 ALA A 77 -3.727 -2.775 -1.492 1.00 12.13 H new ATOM 0 HB2 ALA A 77 -3.402 -4.450 -0.986 1.00 12.13 H new ATOM 0 HB3 ALA A 77 -5.067 -3.822 -0.966 1.00 12.13 H new ATOM 1285 N LEU A 78 -5.852 -1.953 1.399 1.00 32.12 N ATOM 1286 CA LEU A 78 -6.692 -0.831 1.860 1.00 21.42 C ATOM 1287 C LEU A 78 -6.133 -0.246 3.176 1.00 31.23 C ATOM 1288 O LEU A 78 -6.102 0.969 3.360 1.00 43.34 O ATOM 1289 CB LEU A 78 -8.155 -1.300 2.063 1.00 63.11 C ATOM 1290 CG LEU A 78 -8.889 -1.822 0.795 1.00 24.24 C ATOM 1291 CD1 LEU A 78 -10.314 -2.306 1.131 1.00 15.24 C ATOM 1292 CD2 LEU A 78 -8.902 -0.749 -0.311 1.00 22.10 C ATOM 0 H LEU A 78 -6.302 -2.864 1.489 1.00 32.12 H new ATOM 0 HA LEU A 78 -6.677 -0.052 1.097 1.00 21.42 H new ATOM 0 HB2 LEU A 78 -8.161 -2.091 2.813 1.00 63.11 H new ATOM 0 HB3 LEU A 78 -8.728 -0.468 2.473 1.00 63.11 H new ATOM 0 HG LEU A 78 -8.337 -2.682 0.417 1.00 24.24 H new ATOM 0 HD11 LEU A 78 -10.800 -2.664 0.224 1.00 15.24 H new ATOM 0 HD12 LEU A 78 -10.261 -3.116 1.858 1.00 15.24 H new ATOM 0 HD13 LEU A 78 -10.890 -1.480 1.549 1.00 15.24 H new ATOM 0 HD21 LEU A 78 -9.421 -1.137 -1.188 1.00 22.10 H new ATOM 0 HD22 LEU A 78 -9.417 0.141 0.051 1.00 22.10 H new ATOM 0 HD23 LEU A 78 -7.878 -0.491 -0.580 1.00 22.10 H new ATOM 1304 N GLU A 79 -5.679 -1.143 4.077 1.00 72.23 N ATOM 1305 CA GLU A 79 -5.087 -0.755 5.377 1.00 62.02 C ATOM 1306 C GLU A 79 -3.738 -0.043 5.192 1.00 33.55 C ATOM 1307 O GLU A 79 -3.424 0.838 5.972 1.00 53.25 O ATOM 1308 CB GLU A 79 -4.924 -1.972 6.322 1.00 33.44 C ATOM 1309 CG GLU A 79 -6.246 -2.614 6.767 1.00 52.32 C ATOM 1310 CD GLU A 79 -6.047 -3.670 7.857 1.00 20.25 C ATOM 1311 OE1 GLU A 79 -5.938 -3.288 9.043 1.00 60.51 O ATOM 1312 OE2 GLU A 79 -6.006 -4.877 7.541 1.00 31.24 O ATOM 0 H GLU A 79 -5.712 -2.151 3.926 1.00 72.23 H new ATOM 0 HA GLU A 79 -5.784 -0.057 5.841 1.00 62.02 H new ATOM 0 HB2 GLU A 79 -4.319 -2.727 5.820 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -4.371 -1.657 7.207 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -6.917 -1.838 7.136 1.00 52.32 H new ATOM 0 HG3 GLU A 79 -6.732 -3.073 5.906 1.00 52.32 H new ATOM 1319 N VAL A 80 -2.972 -0.433 4.149 1.00 42.15 N ATOM 1320 CA VAL A 80 -1.701 0.231 3.770 1.00 2.12 C ATOM 1321 C VAL A 80 -2.013 1.655 3.287 1.00 45.34 C ATOM 1322 O VAL A 80 -1.404 2.621 3.736 1.00 24.34 O ATOM 1323 CB VAL A 80 -0.932 -0.557 2.627 1.00 65.24 C ATOM 1324 CG1 VAL A 80 0.359 0.170 2.181 1.00 32.12 C ATOM 1325 CG2 VAL A 80 -0.594 -1.994 3.060 1.00 25.22 C ATOM 0 H VAL A 80 -3.216 -1.218 3.545 1.00 42.15 H new ATOM 0 HA VAL A 80 -1.053 0.250 4.647 1.00 2.12 H new ATOM 0 HB VAL A 80 -1.612 -0.596 1.776 1.00 65.24 H new ATOM 0 HG11 VAL A 80 0.850 -0.408 1.398 1.00 32.12 H new ATOM 0 HG12 VAL A 80 0.106 1.159 1.798 1.00 32.12 H new ATOM 0 HG13 VAL A 80 1.032 0.272 3.032 1.00 32.12 H new ATOM 0 HG21 VAL A 80 -0.068 -2.503 2.252 1.00 25.22 H new ATOM 0 HG22 VAL A 80 0.040 -1.967 3.946 1.00 25.22 H new ATOM 0 HG23 VAL A 80 -1.514 -2.531 3.289 1.00 25.22 H new ATOM 1335 N ALA A 81 -3.022 1.739 2.413 1.00 42.42 N ATOM 1336 CA ALA A 81 -3.501 2.994 1.823 1.00 32.22 C ATOM 1337 C ALA A 81 -3.852 4.039 2.902 1.00 64.12 C ATOM 1338 O ALA A 81 -3.355 5.168 2.873 1.00 64.02 O ATOM 1339 CB ALA A 81 -4.719 2.690 0.938 1.00 12.42 C ATOM 0 H ALA A 81 -3.538 0.921 2.090 1.00 42.42 H new ATOM 0 HA ALA A 81 -2.703 3.426 1.219 1.00 32.22 H new ATOM 0 HB1 ALA A 81 -5.085 3.615 0.493 1.00 12.42 H new ATOM 0 HB2 ALA A 81 -4.431 1.997 0.148 1.00 12.42 H new ATOM 0 HB3 ALA A 81 -5.507 2.242 1.544 1.00 12.42 H new ATOM 1345 N ASN A 82 -4.671 3.612 3.872 1.00 31.35 N ATOM 1346 CA ASN A 82 -5.108 4.449 5.005 1.00 53.31 C ATOM 1347 C ASN A 82 -4.001 4.620 6.064 1.00 22.33 C ATOM 1348 O ASN A 82 -4.016 5.603 6.799 1.00 70.11 O ATOM 1349 CB ASN A 82 -6.404 3.874 5.641 1.00 72.11 C ATOM 1350 CG ASN A 82 -7.641 4.079 4.757 1.00 13.03 C ATOM 1351 OD1 ASN A 82 -8.302 5.115 4.829 1.00 34.21 O ATOM 1352 ND2 ASN A 82 -7.977 3.099 3.934 1.00 11.42 N ATOM 0 H ASN A 82 -5.054 2.667 3.896 1.00 31.35 H new ATOM 0 HA ASN A 82 -5.325 5.442 4.611 1.00 53.31 H new ATOM 0 HB2 ASN A 82 -6.270 2.809 5.829 1.00 72.11 H new ATOM 0 HB3 ASN A 82 -6.571 4.349 6.608 1.00 72.11 H new ATOM 0 HD21 ASN A 82 -8.801 3.192 3.340 1.00 11.42 H new ATOM 0 HD22 ASN A 82 -7.412 2.251 3.894 1.00 11.42 H new ATOM 1359 N LYS A 83 -3.069 3.646 6.157 1.00 10.32 N ATOM 1360 CA LYS A 83 -1.929 3.689 7.116 1.00 51.35 C ATOM 1361 C LYS A 83 -1.001 4.873 6.799 1.00 51.22 C ATOM 1362 O LYS A 83 -0.680 5.677 7.686 1.00 3.20 O ATOM 1363 CB LYS A 83 -1.113 2.361 7.062 1.00 31.04 C ATOM 1364 CG LYS A 83 0.103 2.284 8.011 1.00 32.42 C ATOM 1365 CD LYS A 83 -0.291 2.421 9.493 1.00 3.42 C ATOM 1366 CE LYS A 83 0.917 2.442 10.432 1.00 11.03 C ATOM 1367 NZ LYS A 83 0.504 2.721 11.833 1.00 34.51 N ATOM 0 H LYS A 83 -3.080 2.809 5.575 1.00 10.32 H new ATOM 0 HA LYS A 83 -2.339 3.814 8.118 1.00 51.35 H new ATOM 0 HB2 LYS A 83 -1.784 1.534 7.293 1.00 31.04 H new ATOM 0 HB3 LYS A 83 -0.764 2.212 6.040 1.00 31.04 H new ATOM 0 HG2 LYS A 83 0.616 1.334 7.862 1.00 32.42 H new ATOM 0 HG3 LYS A 83 0.811 3.072 7.753 1.00 32.42 H new ATOM 0 HD2 LYS A 83 -0.865 3.338 9.628 1.00 3.42 H new ATOM 0 HD3 LYS A 83 -0.944 1.593 9.768 1.00 3.42 H new ATOM 0 HE2 LYS A 83 1.433 1.483 10.386 1.00 11.03 H new ATOM 0 HE3 LYS A 83 1.625 3.201 10.101 1.00 11.03 H new ATOM 0 HZ1 LYS A 83 1.343 2.729 12.447 1.00 34.51 H new ATOM 0 HZ2 LYS A 83 0.033 3.647 11.878 1.00 34.51 H new ATOM 0 HZ3 LYS A 83 -0.153 1.982 12.155 1.00 34.51 H new ATOM 1381 N ILE A 84 -0.596 4.952 5.521 1.00 72.13 N ATOM 1382 CA ILE A 84 0.254 6.029 5.004 1.00 22.14 C ATOM 1383 C ILE A 84 -0.532 7.355 5.072 1.00 53.12 C ATOM 1384 O ILE A 84 -0.039 8.326 5.630 1.00 50.35 O ATOM 1385 CB ILE A 84 0.758 5.718 3.527 1.00 53.23 C ATOM 1386 CG1 ILE A 84 1.901 4.637 3.509 1.00 4.44 C ATOM 1387 CG2 ILE A 84 1.235 6.997 2.797 1.00 74.21 C ATOM 1388 CD1 ILE A 84 1.532 3.246 3.996 1.00 61.25 C ATOM 0 H ILE A 84 -0.853 4.263 4.814 1.00 72.13 H new ATOM 0 HA ILE A 84 1.149 6.111 5.620 1.00 22.14 H new ATOM 0 HB ILE A 84 -0.103 5.317 2.993 1.00 53.23 H new ATOM 0 HG12 ILE A 84 2.273 4.552 2.488 1.00 4.44 H new ATOM 0 HG13 ILE A 84 2.726 5.004 4.120 1.00 4.44 H new ATOM 0 HG21 ILE A 84 1.570 6.739 1.792 1.00 74.21 H new ATOM 0 HG22 ILE A 84 0.411 7.708 2.733 1.00 74.21 H new ATOM 0 HG23 ILE A 84 2.060 7.446 3.351 1.00 74.21 H new ATOM 0 HD11 ILE A 84 2.404 2.595 3.934 1.00 61.25 H new ATOM 0 HD12 ILE A 84 1.193 3.301 5.030 1.00 61.25 H new ATOM 0 HD13 ILE A 84 0.734 2.842 3.373 1.00 61.25 H new ATOM 1400 N ALA A 85 -1.794 7.329 4.583 1.00 73.42 N ATOM 1401 CA ALA A 85 -2.678 8.515 4.543 1.00 4.14 C ATOM 1402 C ALA A 85 -2.934 9.112 5.950 1.00 43.30 C ATOM 1403 O ALA A 85 -3.069 10.321 6.080 1.00 60.32 O ATOM 1404 CB ALA A 85 -4.007 8.157 3.861 1.00 21.22 C ATOM 0 H ALA A 85 -2.226 6.486 4.206 1.00 73.42 H new ATOM 0 HA ALA A 85 -2.166 9.283 3.963 1.00 4.14 H new ATOM 0 HB1 ALA A 85 -4.651 9.036 3.836 1.00 21.22 H new ATOM 0 HB2 ALA A 85 -3.814 7.819 2.843 1.00 21.22 H new ATOM 0 HB3 ALA A 85 -4.500 7.361 4.420 1.00 21.22 H new ATOM 1410 N ASN A 86 -2.944 8.246 6.986 1.00 33.12 N ATOM 1411 CA ASN A 86 -3.229 8.639 8.392 1.00 65.52 C ATOM 1412 C ASN A 86 -2.141 9.581 8.949 1.00 71.51 C ATOM 1413 O ASN A 86 -2.409 10.402 9.830 1.00 44.13 O ATOM 1414 CB ASN A 86 -3.361 7.377 9.291 1.00 33.34 C ATOM 1415 CG ASN A 86 -3.875 7.639 10.723 1.00 60.03 C ATOM 1416 OD1 ASN A 86 -3.499 6.936 11.662 1.00 12.24 O ATOM 1417 ND2 ASN A 86 -4.762 8.613 10.903 1.00 35.31 N ATOM 0 H ASN A 86 -2.755 7.250 6.875 1.00 33.12 H new ATOM 0 HA ASN A 86 -4.175 9.181 8.399 1.00 65.52 H new ATOM 0 HB2 ASN A 86 -4.035 6.673 8.804 1.00 33.34 H new ATOM 0 HB3 ASN A 86 -2.386 6.893 9.355 1.00 33.34 H new ATOM 0 HD21 ASN A 86 -5.144 8.789 11.832 1.00 35.31 H new ATOM 0 HD22 ASN A 86 -5.060 9.184 10.112 1.00 35.31 H new ATOM 1424 N GLU A 87 -0.912 9.439 8.427 1.00 45.41 N ATOM 1425 CA GLU A 87 0.253 10.253 8.840 1.00 11.04 C ATOM 1426 C GLU A 87 0.130 11.730 8.375 1.00 53.44 C ATOM 1427 O GLU A 87 0.852 12.603 8.869 1.00 23.45 O ATOM 1428 CB GLU A 87 1.553 9.620 8.267 1.00 14.00 C ATOM 1429 CG GLU A 87 1.799 8.151 8.683 1.00 62.34 C ATOM 1430 CD GLU A 87 2.002 7.962 10.201 1.00 61.32 C ATOM 1431 OE1 GLU A 87 3.145 8.103 10.679 1.00 24.25 O ATOM 1432 OE2 GLU A 87 1.024 7.681 10.925 1.00 2.03 O ATOM 0 H GLU A 87 -0.693 8.755 7.703 1.00 45.41 H new ATOM 0 HA GLU A 87 0.288 10.260 9.929 1.00 11.04 H new ATOM 0 HB2 GLU A 87 1.517 9.673 7.179 1.00 14.00 H new ATOM 0 HB3 GLU A 87 2.404 10.221 8.587 1.00 14.00 H new ATOM 0 HG2 GLU A 87 0.953 7.545 8.360 1.00 62.34 H new ATOM 0 HG3 GLU A 87 2.678 7.776 8.158 1.00 62.34 H new ATOM 1439 N LEU A 88 -0.779 12.002 7.420 1.00 14.24 N ATOM 1440 CA LEU A 88 -0.928 13.333 6.794 1.00 61.52 C ATOM 1441 C LEU A 88 -2.409 13.705 6.555 1.00 35.23 C ATOM 1442 O LEU A 88 -2.685 14.760 5.977 1.00 25.23 O ATOM 1443 CB LEU A 88 -0.133 13.380 5.445 1.00 2.24 C ATOM 1444 CG LEU A 88 -0.278 12.119 4.498 1.00 35.22 C ATOM 1445 CD1 LEU A 88 -0.293 12.502 3.003 1.00 42.02 C ATOM 1446 CD2 LEU A 88 0.850 11.096 4.768 1.00 13.05 C ATOM 0 H LEU A 88 -1.432 11.306 7.059 1.00 14.24 H new ATOM 0 HA LEU A 88 -0.519 14.069 7.486 1.00 61.52 H new ATOM 0 HB2 LEU A 88 -0.453 14.262 4.891 1.00 2.24 H new ATOM 0 HB3 LEU A 88 0.924 13.514 5.676 1.00 2.24 H new ATOM 0 HG LEU A 88 -1.241 11.664 4.731 1.00 35.22 H new ATOM 0 HD11 LEU A 88 -0.394 11.601 2.398 1.00 42.02 H new ATOM 0 HD12 LEU A 88 -1.133 13.168 2.806 1.00 42.02 H new ATOM 0 HD13 LEU A 88 0.638 13.008 2.748 1.00 42.02 H new ATOM 0 HD21 LEU A 88 0.730 10.239 4.106 1.00 13.05 H new ATOM 0 HD22 LEU A 88 1.817 11.564 4.584 1.00 13.05 H new ATOM 0 HD23 LEU A 88 0.799 10.764 5.805 1.00 13.05 H new ATOM 1458 N GLY A 89 -3.354 12.859 7.005 1.00 74.11 N ATOM 1459 CA GLY A 89 -4.789 13.073 6.749 1.00 3.15 C ATOM 1460 C GLY A 89 -5.192 12.670 5.327 1.00 63.32 C ATOM 1461 O GLY A 89 -5.969 11.718 5.138 1.00 44.23 O ATOM 0 H GLY A 89 -3.149 12.020 7.548 1.00 74.11 H new ATOM 0 HA2 GLY A 89 -5.374 12.498 7.467 1.00 3.15 H new ATOM 0 HA3 GLY A 89 -5.032 14.123 6.909 1.00 3.15 H new ATOM 1465 N ALA A 90 -4.668 13.442 4.342 1.00 32.11 N ATOM 1466 CA ALA A 90 -4.772 13.151 2.899 1.00 54.53 C ATOM 1467 C ALA A 90 -6.220 13.227 2.385 1.00 43.22 C ATOM 1468 O ALA A 90 -7.072 13.859 3.019 1.00 33.13 O ATOM 1469 CB ALA A 90 -4.120 11.789 2.587 1.00 34.33 C ATOM 0 H ALA A 90 -4.152 14.300 4.538 1.00 32.11 H new ATOM 0 HA ALA A 90 -4.226 13.927 2.361 1.00 54.53 H new ATOM 0 HB1 ALA A 90 -4.201 11.583 1.520 1.00 34.33 H new ATOM 0 HB2 ALA A 90 -3.068 11.815 2.872 1.00 34.33 H new ATOM 0 HB3 ALA A 90 -4.629 11.005 3.148 1.00 34.33 H new ATOM 1475 N LYS A 91 -6.474 12.632 1.196 1.00 70.34 N ATOM 1476 CA LYS A 91 -7.841 12.475 0.656 1.00 30.33 C ATOM 1477 C LYS A 91 -8.320 11.043 1.007 1.00 3.55 C ATOM 1478 O LYS A 91 -8.907 10.846 2.078 1.00 34.34 O ATOM 1479 CB LYS A 91 -7.854 12.798 -0.878 1.00 52.12 C ATOM 1480 CG LYS A 91 -9.253 13.067 -1.530 1.00 62.11 C ATOM 1481 CD LYS A 91 -10.083 11.792 -1.838 1.00 53.22 C ATOM 1482 CE LYS A 91 -9.409 10.868 -2.879 1.00 22.04 C ATOM 1483 NZ LYS A 91 -9.178 11.550 -4.173 1.00 1.30 N ATOM 0 H LYS A 91 -5.745 12.252 0.592 1.00 70.34 H new ATOM 0 HA LYS A 91 -8.542 13.180 1.102 1.00 30.33 H new ATOM 0 HB2 LYS A 91 -7.226 13.673 -1.046 1.00 52.12 H new ATOM 0 HB3 LYS A 91 -7.388 11.965 -1.405 1.00 52.12 H new ATOM 0 HG2 LYS A 91 -9.831 13.708 -0.865 1.00 62.11 H new ATOM 0 HG3 LYS A 91 -9.106 13.621 -2.457 1.00 62.11 H new ATOM 0 HD2 LYS A 91 -10.240 11.235 -0.914 1.00 53.22 H new ATOM 0 HD3 LYS A 91 -11.067 12.085 -2.204 1.00 53.22 H new ATOM 0 HE2 LYS A 91 -8.457 10.513 -2.484 1.00 22.04 H new ATOM 0 HE3 LYS A 91 -10.035 9.990 -3.041 1.00 22.04 H new ATOM 0 HZ1 LYS A 91 -8.803 10.868 -4.863 1.00 1.30 H new ATOM 0 HZ2 LYS A 91 -10.075 11.941 -4.525 1.00 1.30 H new ATOM 0 HZ3 LYS A 91 -8.493 12.321 -4.041 1.00 1.30 H new ATOM 1497 N GLN A 92 -7.983 10.041 0.146 1.00 53.32 N ATOM 1498 CA GLN A 92 -8.426 8.626 0.300 1.00 44.53 C ATOM 1499 C GLN A 92 -7.952 7.799 -0.914 1.00 73.53 C ATOM 1500 O GLN A 92 -7.531 8.354 -1.942 1.00 11.24 O ATOM 1501 CB GLN A 92 -9.996 8.526 0.462 1.00 4.13 C ATOM 1502 CG GLN A 92 -10.587 7.109 0.704 1.00 24.41 C ATOM 1503 CD GLN A 92 -9.988 6.349 1.900 1.00 74.13 C ATOM 1504 OE1 GLN A 92 -9.842 5.122 1.850 1.00 63.44 O ATOM 1505 NE2 GLN A 92 -9.688 7.038 2.993 1.00 33.42 N ATOM 0 H GLN A 92 -7.396 10.193 -0.674 1.00 53.32 H new ATOM 0 HA GLN A 92 -7.978 8.222 1.208 1.00 44.53 H new ATOM 0 HB2 GLN A 92 -10.293 9.164 1.294 1.00 4.13 H new ATOM 0 HB3 GLN A 92 -10.457 8.937 -0.436 1.00 4.13 H new ATOM 0 HG2 GLN A 92 -11.663 7.201 0.854 1.00 24.41 H new ATOM 0 HG3 GLN A 92 -10.441 6.512 -0.196 1.00 24.41 H new ATOM 0 HE21 GLN A 92 -9.817 8.050 3.010 1.00 33.42 H new ATOM 0 HE22 GLN A 92 -9.328 6.556 3.817 1.00 33.42 H new ATOM 1514 N SER A 93 -7.982 6.471 -0.757 1.00 22.04 N ATOM 1515 CA SER A 93 -7.738 5.513 -1.828 1.00 42.41 C ATOM 1516 C SER A 93 -9.048 5.017 -2.470 1.00 63.14 C ATOM 1517 O SER A 93 -10.065 4.897 -1.788 1.00 65.14 O ATOM 1518 CB SER A 93 -6.979 4.316 -1.247 1.00 11.11 C ATOM 1519 OG SER A 93 -7.656 3.734 -0.126 1.00 15.24 O ATOM 0 H SER A 93 -8.181 6.028 0.140 1.00 22.04 H new ATOM 0 HA SER A 93 -7.157 6.010 -2.605 1.00 42.41 H new ATOM 0 HB2 SER A 93 -6.849 3.561 -2.022 1.00 11.11 H new ATOM 0 HB3 SER A 93 -5.982 4.634 -0.941 1.00 11.11 H new ATOM 0 HG SER A 93 -7.334 2.818 0.011 1.00 15.24 H new ATOM 1525 N THR A 94 -8.996 4.742 -3.780 1.00 63.11 N ATOM 1526 CA THR A 94 -10.047 4.014 -4.507 1.00 72.23 C ATOM 1527 C THR A 94 -9.612 2.542 -4.708 1.00 41.43 C ATOM 1528 O THR A 94 -8.415 2.251 -4.853 1.00 0.51 O ATOM 1529 CB THR A 94 -10.381 4.691 -5.885 1.00 12.43 C ATOM 1530 OG1 THR A 94 -11.417 3.954 -6.568 1.00 32.41 O ATOM 1531 CG2 THR A 94 -9.144 4.811 -6.797 1.00 62.21 C ATOM 0 H THR A 94 -8.214 5.022 -4.373 1.00 63.11 H new ATOM 0 HA THR A 94 -10.959 4.043 -3.910 1.00 72.23 H new ATOM 0 HB THR A 94 -10.728 5.701 -5.665 1.00 12.43 H new ATOM 0 HG1 THR A 94 -11.617 4.387 -7.424 1.00 32.41 H new ATOM 0 HG21 THR A 94 -9.429 5.285 -7.736 1.00 62.21 H new ATOM 0 HG22 THR A 94 -8.384 5.415 -6.301 1.00 62.21 H new ATOM 0 HG23 THR A 94 -8.743 3.818 -6.999 1.00 62.21 H new ATOM 1539 N THR A 95 -10.589 1.623 -4.701 1.00 0.20 N ATOM 1540 CA THR A 95 -10.347 0.177 -4.780 1.00 54.32 C ATOM 1541 C THR A 95 -10.658 -0.341 -6.193 1.00 43.13 C ATOM 1542 O THR A 95 -11.633 0.088 -6.825 1.00 33.33 O ATOM 1543 CB THR A 95 -11.238 -0.586 -3.737 1.00 75.33 C ATOM 1544 OG1 THR A 95 -11.104 0.018 -2.445 1.00 73.22 O ATOM 1545 CG2 THR A 95 -10.869 -2.078 -3.637 1.00 71.14 C ATOM 0 H THR A 95 -11.578 1.866 -4.640 1.00 0.20 H new ATOM 0 HA THR A 95 -9.296 -0.005 -4.554 1.00 54.32 H new ATOM 0 HB THR A 95 -12.269 -0.516 -4.083 1.00 75.33 H new ATOM 0 HG1 THR A 95 -11.664 -0.462 -1.800 1.00 73.22 H new ATOM 0 HG21 THR A 95 -11.512 -2.564 -2.903 1.00 71.14 H new ATOM 0 HG22 THR A 95 -11.005 -2.552 -4.609 1.00 71.14 H new ATOM 0 HG23 THR A 95 -9.828 -2.175 -3.328 1.00 71.14 H new ATOM 1553 N THR A 96 -9.807 -1.247 -6.686 1.00 51.51 N ATOM 1554 CA THR A 96 -10.046 -2.008 -7.913 1.00 31.22 C ATOM 1555 C THR A 96 -9.815 -3.494 -7.592 1.00 44.14 C ATOM 1556 O THR A 96 -8.692 -3.909 -7.286 1.00 73.45 O ATOM 1557 CB THR A 96 -9.107 -1.537 -9.075 1.00 74.42 C ATOM 1558 OG1 THR A 96 -9.229 -0.117 -9.242 1.00 54.15 O ATOM 1559 CG2 THR A 96 -9.427 -2.230 -10.409 1.00 24.44 C ATOM 0 H THR A 96 -8.920 -1.474 -6.236 1.00 51.51 H new ATOM 0 HA THR A 96 -11.068 -1.845 -8.255 1.00 31.22 H new ATOM 0 HB THR A 96 -8.088 -1.809 -8.798 1.00 74.42 H new ATOM 0 HG1 THR A 96 -8.641 0.179 -9.968 1.00 54.15 H new ATOM 0 HG21 THR A 96 -8.747 -1.867 -11.180 1.00 24.44 H new ATOM 0 HG22 THR A 96 -9.307 -3.308 -10.297 1.00 24.44 H new ATOM 0 HG23 THR A 96 -10.454 -2.007 -10.697 1.00 24.44 H new ATOM 1567 N THR A 97 -10.890 -4.273 -7.625 1.00 75.33 N ATOM 1568 CA THR A 97 -10.869 -5.697 -7.281 1.00 11.11 C ATOM 1569 C THR A 97 -11.191 -6.531 -8.528 1.00 0.33 C ATOM 1570 O THR A 97 -11.954 -6.085 -9.401 1.00 23.42 O ATOM 1571 CB THR A 97 -11.883 -5.992 -6.123 1.00 52.10 C ATOM 1572 OG1 THR A 97 -11.819 -7.379 -5.749 1.00 52.42 O ATOM 1573 CG2 THR A 97 -13.334 -5.604 -6.498 1.00 70.20 C ATOM 0 H THR A 97 -11.813 -3.933 -7.894 1.00 75.33 H new ATOM 0 HA THR A 97 -9.875 -5.971 -6.929 1.00 11.11 H new ATOM 0 HB THR A 97 -11.594 -5.373 -5.274 1.00 52.10 H new ATOM 0 HG1 THR A 97 -12.455 -7.552 -5.024 1.00 52.42 H new ATOM 0 HG21 THR A 97 -13.998 -5.828 -5.663 1.00 70.20 H new ATOM 0 HG22 THR A 97 -13.379 -4.538 -6.722 1.00 70.20 H new ATOM 0 HG23 THR A 97 -13.648 -6.172 -7.373 1.00 70.20 H new ATOM 1581 N ASP A 98 -10.584 -7.722 -8.615 1.00 23.22 N ATOM 1582 CA ASP A 98 -10.812 -8.670 -9.719 1.00 51.14 C ATOM 1583 C ASP A 98 -10.332 -10.067 -9.286 1.00 22.14 C ATOM 1584 O ASP A 98 -9.616 -10.206 -8.276 1.00 64.10 O ATOM 1585 CB ASP A 98 -10.086 -8.186 -11.024 1.00 54.30 C ATOM 1586 CG ASP A 98 -10.602 -8.880 -12.303 1.00 52.34 C ATOM 1587 OD1 ASP A 98 -10.161 -9.995 -12.612 1.00 70.00 O ATOM 1588 OD2 ASP A 98 -11.477 -8.315 -12.990 1.00 2.04 O ATOM 0 H ASP A 98 -9.918 -8.058 -7.920 1.00 23.22 H new ATOM 0 HA ASP A 98 -11.877 -8.721 -9.948 1.00 51.14 H new ATOM 0 HB2 ASP A 98 -10.216 -7.109 -11.126 1.00 54.30 H new ATOM 0 HB3 ASP A 98 -9.016 -8.370 -10.926 1.00 54.30 H new ATOM 1593 N GLY A 99 -10.735 -11.098 -10.053 1.00 61.01 N ATOM 1594 CA GLY A 99 -10.335 -12.480 -9.797 1.00 30.54 C ATOM 1595 C GLY A 99 -8.861 -12.743 -10.109 1.00 2.11 C ATOM 1596 O GLY A 99 -8.246 -13.612 -9.484 1.00 44.41 O ATOM 0 H GLY A 99 -11.345 -10.989 -10.863 1.00 61.01 H new ATOM 0 HA2 GLY A 99 -10.528 -12.721 -8.752 1.00 30.54 H new ATOM 0 HA3 GLY A 99 -10.953 -13.148 -10.397 1.00 30.54 H new ATOM 1600 N ASP A 100 -8.287 -11.992 -11.080 1.00 64.10 N ATOM 1601 CA ASP A 100 -6.884 -12.193 -11.531 1.00 71.41 C ATOM 1602 C ASP A 100 -5.911 -11.183 -10.881 1.00 44.11 C ATOM 1603 O ASP A 100 -4.735 -11.510 -10.661 1.00 54.11 O ATOM 1604 CB ASP A 100 -6.755 -12.187 -13.093 1.00 32.21 C ATOM 1605 CG ASP A 100 -7.384 -10.969 -13.796 1.00 61.44 C ATOM 1606 OD1 ASP A 100 -7.091 -9.823 -13.410 1.00 5.41 O ATOM 1607 OD2 ASP A 100 -8.179 -11.152 -14.746 1.00 0.05 O ATOM 0 H ASP A 100 -8.773 -11.240 -11.568 1.00 64.10 H new ATOM 0 HA ASP A 100 -6.594 -13.186 -11.189 1.00 71.41 H new ATOM 0 HB2 ASP A 100 -5.698 -12.232 -13.355 1.00 32.21 H new ATOM 0 HB3 ASP A 100 -7.219 -13.092 -13.484 1.00 32.21 H new ATOM 1612 N THR A 101 -6.395 -9.962 -10.557 1.00 22.15 N ATOM 1613 CA THR A 101 -5.544 -8.880 -10.001 1.00 74.24 C ATOM 1614 C THR A 101 -6.333 -8.024 -8.984 1.00 31.23 C ATOM 1615 O THR A 101 -7.561 -7.964 -9.020 1.00 3.13 O ATOM 1616 CB THR A 101 -4.974 -7.965 -11.154 1.00 3.44 C ATOM 1617 OG1 THR A 101 -4.429 -8.790 -12.198 1.00 22.52 O ATOM 1618 CG2 THR A 101 -3.866 -7.005 -10.677 1.00 23.24 C ATOM 0 H THR A 101 -7.374 -9.699 -10.671 1.00 22.15 H new ATOM 0 HA THR A 101 -4.707 -9.349 -9.483 1.00 74.24 H new ATOM 0 HB THR A 101 -5.810 -7.363 -11.510 1.00 3.44 H new ATOM 0 HG1 THR A 101 -5.160 -9.210 -12.698 1.00 22.52 H new ATOM 0 HG21 THR A 101 -3.518 -6.405 -11.518 1.00 23.24 H new ATOM 0 HG22 THR A 101 -4.262 -6.349 -9.902 1.00 23.24 H new ATOM 0 HG23 THR A 101 -3.034 -7.582 -10.273 1.00 23.24 H new ATOM 1626 N PHE A 102 -5.598 -7.375 -8.069 1.00 43.22 N ATOM 1627 CA PHE A 102 -6.149 -6.441 -7.082 1.00 61.33 C ATOM 1628 C PHE A 102 -5.205 -5.229 -6.984 1.00 70.11 C ATOM 1629 O PHE A 102 -4.027 -5.386 -6.640 1.00 10.21 O ATOM 1630 CB PHE A 102 -6.304 -7.137 -5.700 1.00 31.13 C ATOM 1631 CG PHE A 102 -6.994 -6.269 -4.649 1.00 72.22 C ATOM 1632 CD1 PHE A 102 -8.381 -6.160 -4.624 1.00 11.01 C ATOM 1633 CD2 PHE A 102 -6.260 -5.547 -3.708 1.00 72.34 C ATOM 1634 CE1 PHE A 102 -9.014 -5.356 -3.697 1.00 11.24 C ATOM 1635 CE2 PHE A 102 -6.895 -4.743 -2.788 1.00 11.32 C ATOM 1636 CZ PHE A 102 -8.273 -4.647 -2.779 1.00 51.23 C ATOM 0 H PHE A 102 -4.587 -7.488 -7.995 1.00 43.22 H new ATOM 0 HA PHE A 102 -7.140 -6.110 -7.393 1.00 61.33 H new ATOM 0 HB2 PHE A 102 -6.873 -8.058 -5.829 1.00 31.13 H new ATOM 0 HB3 PHE A 102 -5.318 -7.421 -5.333 1.00 31.13 H new ATOM 0 HD1 PHE A 102 -8.971 -6.712 -5.340 1.00 11.01 H new ATOM 0 HD2 PHE A 102 -5.182 -5.619 -3.701 1.00 72.34 H new ATOM 0 HE1 PHE A 102 -10.092 -5.283 -3.692 1.00 11.24 H new ATOM 0 HE2 PHE A 102 -6.313 -4.185 -2.070 1.00 11.32 H new ATOM 0 HZ PHE A 102 -8.767 -4.018 -2.054 1.00 51.23 H new ATOM 1646 N GLU A 103 -5.723 -4.032 -7.282 1.00 40.12 N ATOM 1647 CA GLU A 103 -4.941 -2.784 -7.256 1.00 72.44 C ATOM 1648 C GLU A 103 -5.734 -1.681 -6.527 1.00 72.13 C ATOM 1649 O GLU A 103 -6.941 -1.558 -6.700 1.00 5.31 O ATOM 1650 CB GLU A 103 -4.583 -2.356 -8.704 1.00 42.14 C ATOM 1651 CG GLU A 103 -3.704 -1.091 -8.813 1.00 25.32 C ATOM 1652 CD GLU A 103 -3.294 -0.780 -10.261 1.00 43.12 C ATOM 1653 OE1 GLU A 103 -4.128 -0.245 -11.011 1.00 45.24 O ATOM 1654 OE2 GLU A 103 -2.160 -1.112 -10.665 1.00 10.32 O ATOM 0 H GLU A 103 -6.698 -3.898 -7.549 1.00 40.12 H new ATOM 0 HA GLU A 103 -4.012 -2.948 -6.711 1.00 72.44 H new ATOM 0 HB2 GLU A 103 -4.067 -3.182 -9.194 1.00 42.14 H new ATOM 0 HB3 GLU A 103 -5.508 -2.186 -9.256 1.00 42.14 H new ATOM 0 HG2 GLU A 103 -4.246 -0.240 -8.402 1.00 25.32 H new ATOM 0 HG3 GLU A 103 -2.808 -1.222 -8.206 1.00 25.32 H new ATOM 1661 N VAL A 104 -5.029 -0.896 -5.703 1.00 14.12 N ATOM 1662 CA VAL A 104 -5.596 0.203 -4.909 1.00 13.00 C ATOM 1663 C VAL A 104 -4.800 1.470 -5.229 1.00 20.35 C ATOM 1664 O VAL A 104 -3.602 1.526 -4.944 1.00 51.53 O ATOM 1665 CB VAL A 104 -5.506 -0.116 -3.361 1.00 50.13 C ATOM 1666 CG1 VAL A 104 -5.955 1.078 -2.491 1.00 32.40 C ATOM 1667 CG2 VAL A 104 -6.322 -1.372 -3.007 1.00 24.21 C ATOM 0 H VAL A 104 -4.025 -1.009 -5.566 1.00 14.12 H new ATOM 0 HA VAL A 104 -6.649 0.336 -5.159 1.00 13.00 H new ATOM 0 HB VAL A 104 -4.456 -0.306 -3.140 1.00 50.13 H new ATOM 0 HG11 VAL A 104 -5.875 0.811 -1.437 1.00 32.40 H new ATOM 0 HG12 VAL A 104 -5.317 1.938 -2.696 1.00 32.40 H new ATOM 0 HG13 VAL A 104 -6.990 1.330 -2.724 1.00 32.40 H new ATOM 0 HG21 VAL A 104 -6.243 -1.568 -1.938 1.00 24.21 H new ATOM 0 HG22 VAL A 104 -7.368 -1.213 -3.270 1.00 24.21 H new ATOM 0 HG23 VAL A 104 -5.934 -2.226 -3.562 1.00 24.21 H new ATOM 1677 N GLU A 105 -5.451 2.475 -5.832 1.00 22.44 N ATOM 1678 CA GLU A 105 -4.808 3.764 -6.093 1.00 21.44 C ATOM 1679 C GLU A 105 -5.128 4.686 -4.916 1.00 52.22 C ATOM 1680 O GLU A 105 -6.287 4.978 -4.649 1.00 41.32 O ATOM 1681 CB GLU A 105 -5.285 4.420 -7.413 1.00 44.41 C ATOM 1682 CG GLU A 105 -4.561 5.755 -7.702 1.00 62.25 C ATOM 1683 CD GLU A 105 -5.117 6.528 -8.902 1.00 73.54 C ATOM 1684 OE1 GLU A 105 -6.258 7.015 -8.817 1.00 62.13 O ATOM 1685 OE2 GLU A 105 -4.421 6.658 -9.933 1.00 12.53 O ATOM 0 H GLU A 105 -6.420 2.417 -6.146 1.00 22.44 H new ATOM 0 HA GLU A 105 -3.736 3.600 -6.201 1.00 21.44 H new ATOM 0 HB2 GLU A 105 -5.115 3.731 -8.240 1.00 44.41 H new ATOM 0 HB3 GLU A 105 -6.359 4.596 -7.361 1.00 44.41 H new ATOM 0 HG2 GLU A 105 -4.624 6.388 -6.817 1.00 62.25 H new ATOM 0 HG3 GLU A 105 -3.504 5.552 -7.874 1.00 62.25 H new ATOM 1692 N VAL A 106 -4.077 5.108 -4.220 1.00 5.43 N ATOM 1693 CA VAL A 106 -4.147 5.968 -3.041 1.00 14.41 C ATOM 1694 C VAL A 106 -3.846 7.398 -3.500 1.00 24.33 C ATOM 1695 O VAL A 106 -2.699 7.720 -3.830 1.00 4.20 O ATOM 1696 CB VAL A 106 -3.093 5.509 -1.947 1.00 3.13 C ATOM 1697 CG1 VAL A 106 -3.421 6.113 -0.567 1.00 13.34 C ATOM 1698 CG2 VAL A 106 -2.988 3.964 -1.880 1.00 10.15 C ATOM 0 H VAL A 106 -3.121 4.853 -4.468 1.00 5.43 H new ATOM 0 HA VAL A 106 -5.136 5.907 -2.587 1.00 14.41 H new ATOM 0 HB VAL A 106 -2.117 5.890 -2.247 1.00 3.13 H new ATOM 0 HG11 VAL A 106 -2.681 5.780 0.161 1.00 13.34 H new ATOM 0 HG12 VAL A 106 -3.402 7.201 -0.632 1.00 13.34 H new ATOM 0 HG13 VAL A 106 -4.412 5.786 -0.253 1.00 13.34 H new ATOM 0 HG21 VAL A 106 -2.258 3.681 -1.121 1.00 10.15 H new ATOM 0 HG22 VAL A 106 -3.960 3.544 -1.622 1.00 10.15 H new ATOM 0 HG23 VAL A 106 -2.672 3.578 -2.849 1.00 10.15 H new ATOM 1708 N ILE A 107 -4.885 8.247 -3.550 1.00 35.14 N ATOM 1709 CA ILE A 107 -4.765 9.609 -4.080 1.00 3.54 C ATOM 1710 C ILE A 107 -4.571 10.580 -2.905 1.00 44.25 C ATOM 1711 O ILE A 107 -5.524 10.897 -2.178 1.00 34.22 O ATOM 1712 CB ILE A 107 -6.015 10.040 -4.961 1.00 12.22 C ATOM 1713 CG1 ILE A 107 -6.471 8.917 -5.963 1.00 13.22 C ATOM 1714 CG2 ILE A 107 -5.710 11.340 -5.737 1.00 35.33 C ATOM 1715 CD1 ILE A 107 -7.406 7.868 -5.376 1.00 42.54 C ATOM 0 H ILE A 107 -5.823 8.009 -3.227 1.00 35.14 H new ATOM 0 HA ILE A 107 -3.902 9.639 -4.745 1.00 3.54 H new ATOM 0 HB ILE A 107 -6.838 10.210 -4.267 1.00 12.22 H new ATOM 0 HG12 ILE A 107 -6.966 9.388 -6.812 1.00 13.22 H new ATOM 0 HG13 ILE A 107 -5.584 8.415 -6.350 1.00 13.22 H new ATOM 0 HG21 ILE A 107 -6.578 11.619 -6.335 1.00 35.33 H new ATOM 0 HG22 ILE A 107 -5.482 12.140 -5.032 1.00 35.33 H new ATOM 0 HG23 ILE A 107 -4.854 11.180 -6.393 1.00 35.33 H new ATOM 0 HD11 ILE A 107 -7.663 7.139 -6.144 1.00 42.54 H new ATOM 0 HD12 ILE A 107 -6.911 7.362 -4.547 1.00 42.54 H new ATOM 0 HD13 ILE A 107 -8.314 8.351 -5.016 1.00 42.54 H new ATOM 1727 N LEU A 108 -3.311 10.989 -2.681 1.00 75.42 N ATOM 1728 CA LEU A 108 -2.952 11.941 -1.619 1.00 60.30 C ATOM 1729 C LEU A 108 -2.860 13.354 -2.233 1.00 63.21 C ATOM 1730 O LEU A 108 -1.861 13.708 -2.861 1.00 11.52 O ATOM 1731 CB LEU A 108 -1.601 11.511 -0.962 1.00 41.42 C ATOM 1732 CG LEU A 108 -1.459 9.990 -0.606 1.00 22.11 C ATOM 1733 CD1 LEU A 108 -0.060 9.661 -0.055 1.00 21.03 C ATOM 1734 CD2 LEU A 108 -2.555 9.530 0.371 1.00 11.53 C ATOM 0 H LEU A 108 -2.514 10.669 -3.231 1.00 75.42 H new ATOM 0 HA LEU A 108 -3.712 11.949 -0.838 1.00 60.30 H new ATOM 0 HB2 LEU A 108 -0.790 11.782 -1.637 1.00 41.42 H new ATOM 0 HB3 LEU A 108 -1.464 12.091 -0.049 1.00 41.42 H new ATOM 0 HG LEU A 108 -1.588 9.435 -1.536 1.00 22.11 H new ATOM 0 HD11 LEU A 108 -0.002 8.598 0.180 1.00 21.03 H new ATOM 0 HD12 LEU A 108 0.693 9.909 -0.803 1.00 21.03 H new ATOM 0 HD13 LEU A 108 0.121 10.242 0.849 1.00 21.03 H new ATOM 0 HD21 LEU A 108 -2.423 8.471 0.594 1.00 11.53 H new ATOM 0 HD22 LEU A 108 -2.485 10.106 1.294 1.00 11.53 H new ATOM 0 HD23 LEU A 108 -3.534 9.686 -0.081 1.00 11.53 H new ATOM 1746 N GLU A 109 -3.918 14.162 -2.051 1.00 21.15 N ATOM 1747 CA GLU A 109 -4.015 15.518 -2.636 1.00 55.11 C ATOM 1748 C GLU A 109 -3.883 16.560 -1.520 1.00 13.15 C ATOM 1749 O GLU A 109 -4.866 16.916 -0.870 1.00 21.01 O ATOM 1750 CB GLU A 109 -5.362 15.682 -3.395 1.00 25.13 C ATOM 1751 CG GLU A 109 -5.515 14.723 -4.585 1.00 11.43 C ATOM 1752 CD GLU A 109 -6.913 14.758 -5.210 1.00 34.45 C ATOM 1753 OE1 GLU A 109 -7.810 14.049 -4.702 1.00 3.04 O ATOM 1754 OE2 GLU A 109 -7.126 15.484 -6.204 1.00 13.51 O ATOM 0 H GLU A 109 -4.731 13.898 -1.495 1.00 21.15 H new ATOM 0 HA GLU A 109 -3.208 15.666 -3.354 1.00 55.11 H new ATOM 0 HB2 GLU A 109 -6.185 15.519 -2.699 1.00 25.13 H new ATOM 0 HB3 GLU A 109 -5.446 16.708 -3.752 1.00 25.13 H new ATOM 0 HG2 GLU A 109 -4.777 14.977 -5.346 1.00 11.43 H new ATOM 0 HG3 GLU A 109 -5.296 13.707 -4.256 1.00 11.43 H new ATOM 1761 N LEU A 110 -2.637 16.976 -1.238 1.00 14.44 N ATOM 1762 CA LEU A 110 -2.331 18.013 -0.231 1.00 65.12 C ATOM 1763 C LEU A 110 -1.606 19.173 -0.925 1.00 12.11 C ATOM 1764 O LEU A 110 -0.717 18.942 -1.754 1.00 31.12 O ATOM 1765 CB LEU A 110 -1.437 17.467 0.936 1.00 44.34 C ATOM 1766 CG LEU A 110 -2.032 16.312 1.821 1.00 4.35 C ATOM 1767 CD1 LEU A 110 -2.020 14.959 1.081 1.00 14.25 C ATOM 1768 CD2 LEU A 110 -1.298 16.217 3.176 1.00 72.25 C ATOM 0 H LEU A 110 -1.809 16.603 -1.702 1.00 14.44 H new ATOM 0 HA LEU A 110 -3.272 18.344 0.208 1.00 65.12 H new ATOM 0 HB2 LEU A 110 -0.500 17.114 0.506 1.00 44.34 H new ATOM 0 HB3 LEU A 110 -1.192 18.302 1.592 1.00 44.34 H new ATOM 0 HG LEU A 110 -3.075 16.559 2.021 1.00 4.35 H new ATOM 0 HD11 LEU A 110 -2.439 14.187 1.727 1.00 14.25 H new ATOM 0 HD12 LEU A 110 -2.617 15.036 0.173 1.00 14.25 H new ATOM 0 HD13 LEU A 110 -0.995 14.696 0.820 1.00 14.25 H new ATOM 0 HD21 LEU A 110 -1.730 15.410 3.768 1.00 72.25 H new ATOM 0 HD22 LEU A 110 -0.241 16.015 3.004 1.00 72.25 H new ATOM 0 HD23 LEU A 110 -1.404 17.159 3.714 1.00 72.25 H new