USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 820 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 72 THR OG1 : rot -1:sc= 0.34! USER MOD Set 1.2: A 89 SER OG : rot 178:sc= -3.68! USER MOD Set 2.1: A 66 SER OG : rot 180:sc= -0.481 USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= -0.162 (180deg=-0.779) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= -0.0426 (180deg=-0.513) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.961 K(o=-0.96,f=-1.7!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 15.838 -4.316 -0.171 1.00 0.00 N ATOM 44 CA GLU A 4 14.794 -3.912 0.812 1.00 0.00 C ATOM 45 C GLU A 4 14.165 -2.587 0.379 1.00 0.00 C ATOM 46 O GLU A 4 14.842 -1.594 0.203 1.00 0.00 O ATOM 47 CB GLU A 4 15.431 -3.745 2.194 1.00 0.00 C ATOM 48 CG GLU A 4 14.726 -4.663 3.194 1.00 0.00 C ATOM 49 CD GLU A 4 14.959 -4.145 4.615 1.00 0.00 C ATOM 50 OE1 GLU A 4 16.060 -3.694 4.887 1.00 0.00 O ATOM 51 OE2 GLU A 4 14.033 -4.210 5.406 1.00 0.00 O ATOM 0 HA GLU A 4 14.023 -4.681 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.493 -3.986 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.354 -2.707 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.658 -4.700 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.105 -5.681 3.100 1.00 0.00 H new ATOM 58 N ILE A 5 12.871 -2.565 0.207 1.00 0.00 N ATOM 59 CA ILE A 5 12.193 -1.306 -0.212 1.00 0.00 C ATOM 60 C ILE A 5 10.983 -1.060 0.693 1.00 0.00 C ATOM 61 O ILE A 5 10.449 -1.973 1.289 1.00 0.00 O ATOM 62 CB ILE A 5 11.735 -1.434 -1.667 1.00 0.00 C ATOM 63 CG1 ILE A 5 10.746 -0.312 -1.995 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.052 -2.788 -1.871 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.634 -0.157 -3.512 1.00 0.00 C ATOM 0 H ILE A 5 12.254 -3.366 0.339 1.00 0.00 H new ATOM 0 HA ILE A 5 12.885 -0.468 -0.127 1.00 0.00 H new ATOM 0 HB ILE A 5 12.601 -1.359 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.769 -0.538 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.080 0.624 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.726 -2.879 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.755 -3.589 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.188 -2.863 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.930 0.642 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.612 0.089 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.280 -1.091 -3.948 1.00 0.00 H new ATOM 77 N ARG A 6 10.550 0.166 0.804 1.00 0.00 N ATOM 78 CA ARG A 6 9.378 0.461 1.676 1.00 0.00 C ATOM 79 C ARG A 6 8.183 0.878 0.816 1.00 0.00 C ATOM 80 O ARG A 6 8.276 1.770 -0.004 1.00 0.00 O ATOM 81 CB ARG A 6 9.731 1.597 2.638 1.00 0.00 C ATOM 82 CG ARG A 6 9.761 1.064 4.072 1.00 0.00 C ATOM 83 CD ARG A 6 10.877 1.760 4.853 1.00 0.00 C ATOM 84 NE ARG A 6 10.311 2.915 5.605 1.00 0.00 N ATOM 85 CZ ARG A 6 10.802 4.110 5.429 1.00 0.00 C ATOM 86 NH1 ARG A 6 10.813 4.642 4.237 1.00 0.00 N ATOM 87 NH2 ARG A 6 11.283 4.775 6.445 1.00 0.00 N ATOM 0 H ARG A 6 10.955 0.973 0.331 1.00 0.00 H new ATOM 0 HA ARG A 6 9.120 -0.433 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.701 2.021 2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.999 2.400 2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.800 1.239 4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.924 -0.014 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.345 1.058 5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.654 2.103 4.170 1.00 0.00 H new ATOM 0 HE ARG A 6 9.540 2.771 6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.437 4.123 3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.197 5.577 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.275 4.360 7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.667 5.710 6.307 1.00 0.00 H new ATOM 101 N LEU A 7 7.058 0.242 1.002 1.00 0.00 N ATOM 102 CA LEU A 7 5.855 0.603 0.203 1.00 0.00 C ATOM 103 C LEU A 7 4.678 0.851 1.149 1.00 0.00 C ATOM 104 O LEU A 7 4.751 0.574 2.329 1.00 0.00 O ATOM 105 CB LEU A 7 5.511 -0.534 -0.764 1.00 0.00 C ATOM 106 CG LEU A 7 5.920 -1.876 -0.155 1.00 0.00 C ATOM 107 CD1 LEU A 7 4.914 -2.952 -0.568 1.00 0.00 C ATOM 108 CD2 LEU A 7 7.311 -2.263 -0.662 1.00 0.00 C ATOM 0 H LEU A 7 6.921 -0.513 1.674 1.00 0.00 H new ATOM 0 HA LEU A 7 6.059 1.506 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.442 -0.532 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.025 -0.384 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 7 5.937 -1.790 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.206 -3.908 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.921 -2.679 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.897 -3.037 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.603 -3.219 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.292 -2.348 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.030 -1.498 -0.371 1.00 0.00 H new ATOM 120 N TYR A 8 3.595 1.377 0.644 1.00 0.00 N ATOM 121 CA TYR A 8 2.420 1.649 1.521 1.00 0.00 C ATOM 122 C TYR A 8 1.161 1.039 0.898 1.00 0.00 C ATOM 123 O TYR A 8 0.592 1.580 -0.028 1.00 0.00 O ATOM 124 CB TYR A 8 2.236 3.162 1.663 1.00 0.00 C ATOM 125 CG TYR A 8 0.975 3.448 2.443 1.00 0.00 C ATOM 126 CD1 TYR A 8 0.966 3.313 3.837 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.187 3.851 1.771 1.00 0.00 C ATOM 128 CE1 TYR A 8 -0.204 3.581 4.560 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.358 4.119 2.493 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.366 3.984 3.888 1.00 0.00 C ATOM 131 OH TYR A 8 -2.517 4.248 4.601 1.00 0.00 O ATOM 0 H TYR A 8 3.473 1.630 -0.337 1.00 0.00 H new ATOM 0 HA TYR A 8 2.588 1.205 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.097 3.597 2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.180 3.626 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.861 3.002 4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.180 3.955 0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.210 3.477 5.635 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.253 4.429 1.975 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.230 4.516 3.984 1.00 0.00 H new ATOM 141 N ILE A 9 0.721 -0.082 1.401 1.00 0.00 N ATOM 142 CA ILE A 9 -0.501 -0.720 0.835 1.00 0.00 C ATOM 143 C ILE A 9 -1.703 -0.399 1.726 1.00 0.00 C ATOM 144 O ILE A 9 -1.590 -0.325 2.934 1.00 0.00 O ATOM 145 CB ILE A 9 -0.301 -2.236 0.770 1.00 0.00 C ATOM 146 CG1 ILE A 9 1.055 -2.542 0.128 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.415 -2.862 -0.070 1.00 0.00 C ATOM 148 CD1 ILE A 9 1.491 -3.958 0.507 1.00 0.00 C ATOM 0 H ILE A 9 1.154 -0.582 2.177 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.681 -0.335 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.330 -2.651 1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.985 -2.449 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.799 -1.819 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.273 -3.942 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.381 -2.642 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.387 -2.449 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.456 -4.176 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.577 -4.034 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.751 -4.674 0.151 1.00 0.00 H new ATOM 160 N THR A 10 -2.853 -0.207 1.139 1.00 0.00 N ATOM 161 CA THR A 10 -4.061 0.112 1.953 1.00 0.00 C ATOM 162 C THR A 10 -4.535 -1.147 2.683 1.00 0.00 C ATOM 163 O THR A 10 -3.860 -2.158 2.700 1.00 0.00 O ATOM 164 CB THR A 10 -5.177 0.618 1.036 1.00 0.00 C ATOM 165 OG1 THR A 10 -5.132 -0.091 -0.196 1.00 0.00 O ATOM 166 CG2 THR A 10 -4.987 2.113 0.773 1.00 0.00 C ATOM 0 H THR A 10 -3.008 -0.257 0.132 1.00 0.00 H new ATOM 0 HA THR A 10 -3.811 0.883 2.682 1.00 0.00 H new ATOM 0 HB THR A 10 -6.143 0.456 1.515 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.847 0.230 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.783 2.472 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.021 2.656 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.022 2.278 0.294 1.00 0.00 H new ATOM 174 N GLU A 11 -5.690 -1.093 3.286 1.00 0.00 N ATOM 175 CA GLU A 11 -6.209 -2.284 4.015 1.00 0.00 C ATOM 176 C GLU A 11 -7.686 -2.486 3.669 1.00 0.00 C ATOM 177 O GLU A 11 -8.539 -1.723 4.079 1.00 0.00 O ATOM 178 CB GLU A 11 -6.064 -2.060 5.522 1.00 0.00 C ATOM 179 CG GLU A 11 -6.929 -0.874 5.948 1.00 0.00 C ATOM 180 CD GLU A 11 -6.134 0.024 6.900 1.00 0.00 C ATOM 181 OE1 GLU A 11 -5.354 -0.510 7.672 1.00 0.00 O ATOM 182 OE2 GLU A 11 -6.318 1.228 6.840 1.00 0.00 O ATOM 0 H GLU A 11 -6.298 -0.274 3.305 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.642 -3.168 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.365 -2.956 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.020 -1.871 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.242 -0.306 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.835 -1.229 6.438 1.00 0.00 H new ATOM 189 N GLY A 12 -7.994 -3.506 2.918 1.00 0.00 N ATOM 190 CA GLY A 12 -9.416 -3.753 2.546 1.00 0.00 C ATOM 191 C GLY A 12 -9.843 -5.136 3.039 1.00 0.00 C ATOM 192 O GLY A 12 -9.042 -5.909 3.525 1.00 0.00 O ATOM 0 H GLY A 12 -7.324 -4.179 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.055 -2.986 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.536 -3.688 1.465 1.00 0.00 H new ATOM 196 N GLU A 13 -11.103 -5.454 2.915 1.00 0.00 N ATOM 197 CA GLU A 13 -11.586 -6.786 3.374 1.00 0.00 C ATOM 198 C GLU A 13 -12.089 -7.586 2.171 1.00 0.00 C ATOM 199 O GLU A 13 -12.959 -8.425 2.290 1.00 0.00 O ATOM 200 CB GLU A 13 -12.730 -6.596 4.373 1.00 0.00 C ATOM 201 CG GLU A 13 -12.426 -7.373 5.655 1.00 0.00 C ATOM 202 CD GLU A 13 -12.199 -8.848 5.318 1.00 0.00 C ATOM 203 OE1 GLU A 13 -12.915 -9.360 4.473 1.00 0.00 O ATOM 204 OE2 GLU A 13 -11.311 -9.441 5.910 1.00 0.00 O ATOM 0 H GLU A 13 -11.819 -4.848 2.515 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.769 -7.324 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.857 -5.537 4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.667 -6.944 3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.542 -6.960 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.253 -7.273 6.358 1.00 0.00 H new ATOM 211 N VAL A 14 -11.552 -7.330 1.009 1.00 0.00 N ATOM 212 CA VAL A 14 -12.002 -8.072 -0.201 1.00 0.00 C ATOM 213 C VAL A 14 -11.005 -9.187 -0.522 1.00 0.00 C ATOM 214 O VAL A 14 -9.860 -9.147 -0.117 1.00 0.00 O ATOM 215 CB VAL A 14 -12.088 -7.111 -1.387 1.00 0.00 C ATOM 216 CG1 VAL A 14 -12.935 -7.742 -2.494 1.00 0.00 C ATOM 217 CG2 VAL A 14 -12.735 -5.801 -0.934 1.00 0.00 C ATOM 0 H VAL A 14 -10.820 -6.638 0.846 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.983 -8.507 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.086 -6.910 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.997 -7.057 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.475 -8.676 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.937 -7.943 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.797 -5.115 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.737 -6.002 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.132 -5.351 -0.145 1.00 0.00 H new ATOM 227 N GLU A 15 -11.433 -10.184 -1.247 1.00 0.00 N ATOM 228 CA GLU A 15 -10.515 -11.303 -1.597 1.00 0.00 C ATOM 229 C GLU A 15 -9.407 -10.791 -2.520 1.00 0.00 C ATOM 230 O GLU A 15 -8.445 -11.481 -2.793 1.00 0.00 O ATOM 231 CB GLU A 15 -11.307 -12.402 -2.311 1.00 0.00 C ATOM 232 CG GLU A 15 -10.340 -13.418 -2.921 1.00 0.00 C ATOM 233 CD GLU A 15 -11.061 -14.752 -3.118 1.00 0.00 C ATOM 234 OE1 GLU A 15 -11.366 -15.391 -2.124 1.00 0.00 O ATOM 235 OE2 GLU A 15 -11.296 -15.114 -4.259 1.00 0.00 O ATOM 0 H GLU A 15 -12.381 -10.271 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.068 -11.705 -0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.975 -12.898 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.932 -11.966 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.964 -13.051 -3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.477 -13.552 -2.269 1.00 0.00 H new ATOM 242 N ASP A 16 -9.535 -9.585 -3.005 1.00 0.00 N ATOM 243 CA ASP A 16 -8.490 -9.031 -3.912 1.00 0.00 C ATOM 244 C ASP A 16 -7.231 -8.704 -3.104 1.00 0.00 C ATOM 245 O ASP A 16 -6.133 -9.069 -3.474 1.00 0.00 O ATOM 246 CB ASP A 16 -9.015 -7.757 -4.575 1.00 0.00 C ATOM 247 CG ASP A 16 -10.442 -7.990 -5.073 1.00 0.00 C ATOM 248 OD1 ASP A 16 -10.867 -9.134 -5.076 1.00 0.00 O ATOM 249 OD2 ASP A 16 -11.086 -7.021 -5.442 1.00 0.00 O ATOM 0 H ASP A 16 -10.318 -8.960 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.248 -9.767 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.997 -6.931 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.370 -7.475 -5.407 1.00 0.00 H new ATOM 254 N TYR A 17 -7.381 -8.017 -2.005 1.00 0.00 N ATOM 255 CA TYR A 17 -6.193 -7.665 -1.176 1.00 0.00 C ATOM 256 C TYR A 17 -5.563 -8.939 -0.609 1.00 0.00 C ATOM 257 O TYR A 17 -4.385 -8.982 -0.315 1.00 0.00 O ATOM 258 CB TYR A 17 -6.626 -6.755 -0.026 1.00 0.00 C ATOM 259 CG TYR A 17 -5.409 -6.294 0.741 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.237 -5.947 0.056 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.453 -6.214 2.139 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.108 -5.519 0.770 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.324 -5.787 2.852 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.152 -5.440 2.168 1.00 0.00 C ATOM 265 OH TYR A 17 -2.042 -5.019 2.871 1.00 0.00 O ATOM 0 H TYR A 17 -8.275 -7.684 -1.645 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.462 -7.147 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.171 -5.895 -0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.306 -7.289 0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.203 -6.009 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.356 -6.481 2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.205 -5.250 0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.358 -5.726 3.930 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.242 -5.021 3.830 1.00 0.00 H new ATOM 275 N ARG A 18 -6.337 -9.978 -0.449 1.00 0.00 N ATOM 276 CA ARG A 18 -5.777 -11.244 0.102 1.00 0.00 C ATOM 277 C ARG A 18 -4.985 -11.971 -0.986 1.00 0.00 C ATOM 278 O ARG A 18 -3.773 -12.045 -0.941 1.00 0.00 O ATOM 279 CB ARG A 18 -6.918 -12.142 0.586 1.00 0.00 C ATOM 280 CG ARG A 18 -6.385 -13.130 1.625 1.00 0.00 C ATOM 281 CD ARG A 18 -7.043 -12.851 2.979 1.00 0.00 C ATOM 282 NE ARG A 18 -6.661 -13.917 3.946 1.00 0.00 N ATOM 283 CZ ARG A 18 -7.523 -14.841 4.274 1.00 0.00 C ATOM 284 NH1 ARG A 18 -8.402 -15.251 3.402 1.00 0.00 N ATOM 285 NH2 ARG A 18 -7.507 -15.352 5.474 1.00 0.00 N ATOM 0 H ARG A 18 -7.331 -10.005 -0.676 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.117 -11.012 0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.713 -11.536 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.352 -12.682 -0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.594 -14.153 1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.302 -13.037 1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.730 -11.876 3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.127 -12.817 2.868 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.725 -13.925 4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.416 -14.850 2.464 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.076 -15.973 3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.821 -15.030 6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.181 -16.074 5.730 1.00 0.00 H new ATOM 299 N VAL A 19 -5.659 -12.509 -1.966 1.00 0.00 N ATOM 300 CA VAL A 19 -4.942 -13.233 -3.053 1.00 0.00 C ATOM 301 C VAL A 19 -3.802 -12.359 -3.583 1.00 0.00 C ATOM 302 O VAL A 19 -2.773 -12.852 -4.001 1.00 0.00 O ATOM 303 CB VAL A 19 -5.917 -13.542 -4.190 1.00 0.00 C ATOM 304 CG1 VAL A 19 -5.206 -14.373 -5.260 1.00 0.00 C ATOM 305 CG2 VAL A 19 -7.106 -14.334 -3.638 1.00 0.00 C ATOM 0 H VAL A 19 -6.674 -12.478 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.534 -14.165 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.271 -12.610 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.901 -14.593 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.357 -13.812 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.853 -15.306 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.803 -14.555 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.750 -15.267 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.613 -13.744 -2.874 1.00 0.00 H new ATOM 315 N PHE A 20 -3.975 -11.066 -3.566 1.00 0.00 N ATOM 316 CA PHE A 20 -2.899 -10.165 -4.068 1.00 0.00 C ATOM 317 C PHE A 20 -1.698 -10.233 -3.124 1.00 0.00 C ATOM 318 O PHE A 20 -0.570 -10.390 -3.548 1.00 0.00 O ATOM 319 CB PHE A 20 -3.419 -8.727 -4.130 1.00 0.00 C ATOM 320 CG PHE A 20 -2.285 -7.797 -4.489 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.421 -7.328 -3.491 1.00 0.00 C ATOM 322 CD2 PHE A 20 -2.095 -7.405 -5.821 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.367 -6.466 -3.824 1.00 0.00 C ATOM 324 CE2 PHE A 20 -1.041 -6.542 -6.154 1.00 0.00 C ATOM 325 CZ PHE A 20 -0.177 -6.073 -5.155 1.00 0.00 C ATOM 0 H PHE A 20 -4.814 -10.595 -3.227 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.597 -10.483 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.216 -8.649 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.847 -8.442 -3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.567 -7.631 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.760 -7.767 -6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.299 -6.105 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.895 -6.239 -7.180 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.635 -5.409 -5.411 1.00 0.00 H new ATOM 335 N LEU A 21 -1.928 -10.116 -1.844 1.00 0.00 N ATOM 336 CA LEU A 21 -0.798 -10.177 -0.876 1.00 0.00 C ATOM 337 C LEU A 21 -0.031 -11.485 -1.073 1.00 0.00 C ATOM 338 O LEU A 21 1.183 -11.516 -1.035 1.00 0.00 O ATOM 339 CB LEU A 21 -1.344 -10.115 0.552 1.00 0.00 C ATOM 340 CG LEU A 21 -0.626 -9.010 1.327 1.00 0.00 C ATOM 341 CD1 LEU A 21 -1.446 -8.638 2.564 1.00 0.00 C ATOM 342 CD2 LEU A 21 0.753 -9.508 1.763 1.00 0.00 C ATOM 0 H LEU A 21 -2.849 -9.981 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.129 -9.333 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.417 -9.923 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.200 -11.074 1.049 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.513 -8.134 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.934 -7.850 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.430 -8.284 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.559 -9.514 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.266 -8.721 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.638 -10.384 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.339 -9.774 0.883 1.00 0.00 H new ATOM 354 N GLU A 22 -0.730 -12.566 -1.285 1.00 0.00 N ATOM 355 CA GLU A 22 -0.042 -13.871 -1.485 1.00 0.00 C ATOM 356 C GLU A 22 0.736 -13.839 -2.802 1.00 0.00 C ATOM 357 O GLU A 22 1.790 -14.433 -2.927 1.00 0.00 O ATOM 358 CB GLU A 22 -1.080 -14.994 -1.536 1.00 0.00 C ATOM 359 CG GLU A 22 -1.691 -15.186 -0.147 1.00 0.00 C ATOM 360 CD GLU A 22 -3.103 -15.758 -0.285 1.00 0.00 C ATOM 361 OE1 GLU A 22 -3.217 -16.941 -0.564 1.00 0.00 O ATOM 362 OE2 GLU A 22 -4.046 -15.005 -0.110 1.00 0.00 O ATOM 0 H GLU A 22 -1.748 -12.601 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 22 0.646 -14.049 -0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.860 -14.751 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.613 -15.920 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.071 -15.859 0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.723 -14.234 0.383 1.00 0.00 H new ATOM 369 N ARG A 23 0.226 -13.149 -3.785 1.00 0.00 N ATOM 370 CA ARG A 23 0.937 -13.078 -5.091 1.00 0.00 C ATOM 371 C ARG A 23 2.115 -12.108 -4.977 1.00 0.00 C ATOM 372 O ARG A 23 3.002 -12.093 -5.807 1.00 0.00 O ATOM 373 CB ARG A 23 -0.028 -12.583 -6.170 1.00 0.00 C ATOM 374 CG ARG A 23 -0.384 -13.739 -7.106 1.00 0.00 C ATOM 375 CD ARG A 23 -1.779 -14.263 -6.761 1.00 0.00 C ATOM 376 NE ARG A 23 -1.684 -15.690 -6.342 1.00 0.00 N ATOM 377 CZ ARG A 23 -2.765 -16.413 -6.242 1.00 0.00 C ATOM 378 NH1 ARG A 23 -3.612 -16.463 -7.234 1.00 0.00 N ATOM 379 NH2 ARG A 23 -3.001 -17.087 -5.149 1.00 0.00 N ATOM 0 H ARG A 23 -0.652 -12.632 -3.740 1.00 0.00 H new ATOM 0 HA ARG A 23 1.305 -14.068 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.931 -12.183 -5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.428 -11.770 -6.736 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.356 -13.403 -8.143 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.351 -14.538 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.216 -13.666 -5.960 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.438 -14.169 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.774 -16.101 -6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.429 -15.936 -8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.457 -17.029 -7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.340 -17.048 -4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.846 -17.652 -5.071 1.00 0.00 H new ATOM 393 N LEU A 24 2.131 -11.297 -3.954 1.00 0.00 N ATOM 394 CA LEU A 24 3.251 -10.330 -3.788 1.00 0.00 C ATOM 395 C LEU A 24 4.503 -11.072 -3.314 1.00 0.00 C ATOM 396 O LEU A 24 5.506 -11.116 -3.998 1.00 0.00 O ATOM 397 CB LEU A 24 2.863 -9.272 -2.752 1.00 0.00 C ATOM 398 CG LEU A 24 3.350 -7.899 -3.217 1.00 0.00 C ATOM 399 CD1 LEU A 24 2.386 -7.341 -4.266 1.00 0.00 C ATOM 400 CD2 LEU A 24 3.404 -6.947 -2.019 1.00 0.00 C ATOM 0 H LEU A 24 1.417 -11.263 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 24 3.456 -9.846 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.781 -9.259 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.302 -9.517 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 24 4.344 -7.995 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.734 -6.362 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.345 -8.018 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.391 -7.244 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.751 -5.967 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.409 -6.852 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.091 -7.343 -1.271 1.00 0.00 H new ATOM 412 N GLU A 25 4.453 -11.655 -2.147 1.00 0.00 N ATOM 413 CA GLU A 25 5.641 -12.392 -1.631 1.00 0.00 C ATOM 414 C GLU A 25 5.999 -13.524 -2.596 1.00 0.00 C ATOM 415 O GLU A 25 7.109 -14.016 -2.605 1.00 0.00 O ATOM 416 CB GLU A 25 5.323 -12.976 -0.253 1.00 0.00 C ATOM 417 CG GLU A 25 4.167 -13.970 -0.372 1.00 0.00 C ATOM 418 CD GLU A 25 4.377 -15.117 0.619 1.00 0.00 C ATOM 419 OE1 GLU A 25 4.786 -14.843 1.735 1.00 0.00 O ATOM 420 OE2 GLU A 25 4.125 -16.250 0.244 1.00 0.00 O ATOM 0 H GLU A 25 3.641 -11.653 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 25 6.484 -11.706 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.203 -13.473 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.059 -12.177 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.220 -13.469 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.111 -14.359 -1.389 1.00 0.00 H new ATOM 427 N GLN A 26 5.069 -13.941 -3.412 1.00 0.00 N ATOM 428 CA GLN A 26 5.363 -15.038 -4.375 1.00 0.00 C ATOM 429 C GLN A 26 6.622 -14.689 -5.169 1.00 0.00 C ATOM 430 O GLN A 26 7.464 -15.528 -5.420 1.00 0.00 O ATOM 431 CB GLN A 26 4.184 -15.207 -5.335 1.00 0.00 C ATOM 432 CG GLN A 26 4.390 -16.465 -6.178 1.00 0.00 C ATOM 433 CD GLN A 26 3.512 -17.594 -5.636 1.00 0.00 C ATOM 434 OE1 GLN A 26 3.887 -18.277 -4.704 1.00 0.00 O ATOM 435 NE2 GLN A 26 2.350 -17.821 -6.184 1.00 0.00 N ATOM 0 H GLN A 26 4.120 -13.569 -3.453 1.00 0.00 H new ATOM 0 HA GLN A 26 5.521 -15.969 -3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.252 -15.281 -4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.099 -14.333 -5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.139 -16.263 -7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.438 -16.763 -6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.035 -17.248 -6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.757 -18.572 -5.830 1.00 0.00 H new ATOM 444 N SER A 27 6.758 -13.453 -5.566 1.00 0.00 N ATOM 445 CA SER A 27 7.963 -13.047 -6.343 1.00 0.00 C ATOM 446 C SER A 27 9.167 -12.961 -5.404 1.00 0.00 C ATOM 447 O SER A 27 10.299 -13.129 -5.813 1.00 0.00 O ATOM 448 CB SER A 27 7.720 -11.681 -6.985 1.00 0.00 C ATOM 449 OG SER A 27 7.244 -11.863 -8.312 1.00 0.00 O ATOM 0 H SER A 27 6.086 -12.707 -5.386 1.00 0.00 H new ATOM 0 HA SER A 27 8.159 -13.784 -7.122 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.994 -11.116 -6.400 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.643 -11.101 -6.994 1.00 0.00 H new ATOM 0 HG SER A 27 7.086 -10.989 -8.726 1.00 0.00 H new ATOM 455 N GLY A 28 8.932 -12.701 -4.146 1.00 0.00 N ATOM 456 CA GLY A 28 10.065 -12.605 -3.182 1.00 0.00 C ATOM 457 C GLY A 28 10.365 -11.133 -2.891 1.00 0.00 C ATOM 458 O GLY A 28 9.477 -10.351 -2.619 1.00 0.00 O ATOM 0 H GLY A 28 8.006 -12.551 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.815 -13.126 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.949 -13.093 -3.593 1.00 0.00 H new ATOM 462 N LEU A 29 11.612 -10.751 -2.944 1.00 0.00 N ATOM 463 CA LEU A 29 11.968 -9.330 -2.669 1.00 0.00 C ATOM 464 C LEU A 29 11.589 -8.981 -1.229 1.00 0.00 C ATOM 465 O LEU A 29 10.496 -9.263 -0.779 1.00 0.00 O ATOM 466 CB LEU A 29 11.207 -8.418 -3.634 1.00 0.00 C ATOM 467 CG LEU A 29 12.202 -7.608 -4.465 1.00 0.00 C ATOM 468 CD1 LEU A 29 13.067 -6.753 -3.537 1.00 0.00 C ATOM 469 CD2 LEU A 29 13.098 -8.563 -5.259 1.00 0.00 C ATOM 0 H LEU A 29 12.399 -11.361 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 29 13.040 -9.189 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.571 -9.014 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.552 -7.748 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 29 11.658 -6.961 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.776 -6.176 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.431 -6.074 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.611 -7.400 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.808 -7.987 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.641 -9.210 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.483 -9.173 -5.921 1.00 0.00 H new ATOM 481 N GLU A 30 12.483 -8.371 -0.500 1.00 0.00 N ATOM 482 CA GLU A 30 12.172 -8.006 0.911 1.00 0.00 C ATOM 483 C GLU A 30 11.527 -6.618 0.948 1.00 0.00 C ATOM 484 O GLU A 30 12.164 -5.619 0.677 1.00 0.00 O ATOM 485 CB GLU A 30 13.464 -7.990 1.730 1.00 0.00 C ATOM 486 CG GLU A 30 14.019 -9.412 1.836 1.00 0.00 C ATOM 487 CD GLU A 30 15.314 -9.396 2.649 1.00 0.00 C ATOM 488 OE1 GLU A 30 16.051 -8.431 2.535 1.00 0.00 O ATOM 489 OE2 GLU A 30 15.546 -10.350 3.375 1.00 0.00 O ATOM 0 H GLU A 30 13.415 -8.110 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 30 11.484 -8.738 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.198 -7.336 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.272 -7.588 2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.287 -10.065 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.207 -9.815 0.841 1.00 0.00 H new ATOM 496 N TRP A 31 10.267 -6.547 1.282 1.00 0.00 N ATOM 497 CA TRP A 31 9.586 -5.223 1.336 1.00 0.00 C ATOM 498 C TRP A 31 9.062 -4.972 2.751 1.00 0.00 C ATOM 499 O TRP A 31 8.835 -5.892 3.513 1.00 0.00 O ATOM 500 CB TRP A 31 8.417 -5.207 0.349 1.00 0.00 C ATOM 501 CG TRP A 31 7.645 -6.483 0.464 1.00 0.00 C ATOM 502 CD1 TRP A 31 7.817 -7.569 -0.325 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.585 -6.826 1.405 1.00 0.00 C ATOM 504 NE1 TRP A 31 6.933 -8.555 0.071 1.00 0.00 N ATOM 505 CE2 TRP A 31 6.153 -8.146 1.133 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.965 -6.126 2.458 1.00 0.00 C ATOM 507 CZ2 TRP A 31 5.139 -8.749 1.879 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.944 -6.731 3.211 1.00 0.00 C ATOM 509 CH2 TRP A 31 4.532 -8.041 2.922 1.00 0.00 C ATOM 0 H TRP A 31 9.681 -7.347 1.519 1.00 0.00 H new ATOM 0 HA TRP A 31 10.297 -4.441 1.069 1.00 0.00 H new ATOM 0 HB2 TRP A 31 7.766 -4.357 0.554 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.789 -5.086 -0.668 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.529 -7.652 -1.133 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.866 -9.473 -0.368 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.276 -5.118 2.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.825 -9.757 1.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.474 -6.185 4.016 1.00 0.00 H new ATOM 0 HH2 TRP A 31 3.748 -8.502 3.504 1.00 0.00 H new ATOM 520 N ARG A 32 8.868 -3.733 3.109 1.00 0.00 N ATOM 521 CA ARG A 32 8.358 -3.419 4.473 1.00 0.00 C ATOM 522 C ARG A 32 7.300 -2.317 4.379 1.00 0.00 C ATOM 523 O ARG A 32 7.248 -1.593 3.405 1.00 0.00 O ATOM 524 CB ARG A 32 9.514 -2.940 5.353 1.00 0.00 C ATOM 525 CG ARG A 32 10.379 -4.135 5.755 1.00 0.00 C ATOM 526 CD ARG A 32 9.921 -4.663 7.116 1.00 0.00 C ATOM 527 NE ARG A 32 9.566 -6.105 6.996 1.00 0.00 N ATOM 528 CZ ARG A 32 9.935 -6.948 7.922 1.00 0.00 C ATOM 529 NH1 ARG A 32 11.091 -7.547 7.834 1.00 0.00 N ATOM 530 NH2 ARG A 32 9.149 -7.191 8.934 1.00 0.00 N ATOM 0 H ARG A 32 9.041 -2.923 2.514 1.00 0.00 H new ATOM 0 HA ARG A 32 7.915 -4.314 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.115 -2.207 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.126 -2.443 6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.303 -4.921 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.427 -3.839 5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.713 -4.533 7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.061 -4.094 7.468 1.00 0.00 H new ATOM 0 HE ARG A 32 9.034 -6.434 6.190 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.705 -7.356 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.380 -8.206 8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.246 -6.722 9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.438 -7.850 9.657 1.00 0.00 H new ATOM 544 N PRO A 33 6.488 -2.222 5.399 1.00 0.00 N ATOM 545 CA PRO A 33 5.414 -1.216 5.469 1.00 0.00 C ATOM 546 C PRO A 33 5.989 0.155 5.841 1.00 0.00 C ATOM 547 O PRO A 33 6.744 0.287 6.783 1.00 0.00 O ATOM 548 CB PRO A 33 4.499 -1.744 6.577 1.00 0.00 C ATOM 549 CG PRO A 33 5.368 -2.683 7.448 1.00 0.00 C ATOM 550 CD PRO A 33 6.564 -3.109 6.578 1.00 0.00 C ATOM 0 HA PRO A 33 4.892 -1.079 4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.096 -0.924 7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.649 -2.281 6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.707 -2.172 8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.795 -3.552 7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.507 -2.985 7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.495 -4.159 6.292 1.00 0.00 H new ATOM 558 N ALA A 34 5.636 1.174 5.108 1.00 0.00 N ATOM 559 CA ALA A 34 6.161 2.534 5.419 1.00 0.00 C ATOM 560 C ALA A 34 4.999 3.451 5.805 1.00 0.00 C ATOM 561 O ALA A 34 3.903 3.000 6.074 1.00 0.00 O ATOM 562 CB ALA A 34 6.871 3.100 4.188 1.00 0.00 C ATOM 0 H ALA A 34 5.007 1.124 4.307 1.00 0.00 H new ATOM 0 HA ALA A 34 6.866 2.472 6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.255 4.095 4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.698 2.446 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.166 3.164 3.359 1.00 0.00 H new ATOM 568 N THR A 35 5.228 4.735 5.836 1.00 0.00 N ATOM 569 CA THR A 35 4.134 5.678 6.207 1.00 0.00 C ATOM 570 C THR A 35 3.571 6.333 4.942 1.00 0.00 C ATOM 571 O THR A 35 4.078 6.123 3.858 1.00 0.00 O ATOM 572 CB THR A 35 4.689 6.761 7.137 1.00 0.00 C ATOM 573 OG1 THR A 35 6.097 6.612 7.247 1.00 0.00 O ATOM 574 CG2 THR A 35 4.049 6.625 8.521 1.00 0.00 C ATOM 0 H THR A 35 6.124 5.172 5.621 1.00 0.00 H new ATOM 0 HA THR A 35 3.341 5.131 6.716 1.00 0.00 H new ATOM 0 HB THR A 35 4.459 7.745 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.454 7.305 7.840 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.445 7.396 9.182 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.968 6.740 8.435 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.278 5.642 8.933 1.00 0.00 H new ATOM 582 N PRO A 36 2.534 7.112 5.124 1.00 0.00 N ATOM 583 CA PRO A 36 1.869 7.820 4.015 1.00 0.00 C ATOM 584 C PRO A 36 2.684 9.049 3.601 1.00 0.00 C ATOM 585 O PRO A 36 2.529 9.572 2.515 1.00 0.00 O ATOM 586 CB PRO A 36 0.521 8.234 4.611 1.00 0.00 C ATOM 587 CG PRO A 36 0.711 8.251 6.147 1.00 0.00 C ATOM 588 CD PRO A 36 1.929 7.358 6.449 1.00 0.00 C ATOM 0 HA PRO A 36 1.763 7.210 3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.220 9.216 4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.263 7.533 4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.877 9.267 6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.179 7.876 6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.630 7.854 7.121 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.631 6.426 6.930 1.00 0.00 H new ATOM 596 N GLU A 37 3.552 9.512 4.458 1.00 0.00 N ATOM 597 CA GLU A 37 4.375 10.706 4.114 1.00 0.00 C ATOM 598 C GLU A 37 5.842 10.290 3.967 1.00 0.00 C ATOM 599 O GLU A 37 6.682 11.074 3.572 1.00 0.00 O ATOM 600 CB GLU A 37 4.251 11.749 5.227 1.00 0.00 C ATOM 601 CG GLU A 37 5.225 12.898 4.961 1.00 0.00 C ATOM 602 CD GLU A 37 4.821 14.114 5.797 1.00 0.00 C ATOM 603 OE1 GLU A 37 3.839 14.016 6.513 1.00 0.00 O ATOM 604 OE2 GLU A 37 5.503 15.123 5.708 1.00 0.00 O ATOM 0 H GLU A 37 3.727 9.115 5.381 1.00 0.00 H new ATOM 0 HA GLU A 37 4.022 11.132 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.230 12.127 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.466 11.292 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.241 12.593 5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.221 13.154 3.902 1.00 0.00 H new ATOM 611 N ASP A 38 6.156 9.062 4.280 1.00 0.00 N ATOM 612 CA ASP A 38 7.567 8.598 4.157 1.00 0.00 C ATOM 613 C ASP A 38 7.590 7.187 3.566 1.00 0.00 C ATOM 614 O ASP A 38 8.241 6.299 4.080 1.00 0.00 O ATOM 615 CB ASP A 38 8.219 8.581 5.541 1.00 0.00 C ATOM 616 CG ASP A 38 9.741 8.600 5.390 1.00 0.00 C ATOM 617 OD1 ASP A 38 10.266 7.691 4.767 1.00 0.00 O ATOM 618 OD2 ASP A 38 10.357 9.522 5.899 1.00 0.00 O ATOM 0 H ASP A 38 5.496 8.360 4.616 1.00 0.00 H new ATOM 0 HA ASP A 38 8.117 9.275 3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.890 9.444 6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.909 7.692 6.090 1.00 0.00 H new ATOM 623 N ALA A 39 6.883 6.972 2.490 1.00 0.00 N ATOM 624 CA ALA A 39 6.864 5.617 1.870 1.00 0.00 C ATOM 625 C ALA A 39 7.722 5.620 0.604 1.00 0.00 C ATOM 626 O ALA A 39 7.620 6.501 -0.226 1.00 0.00 O ATOM 627 CB ALA A 39 5.425 5.243 1.509 1.00 0.00 C ATOM 0 H ALA A 39 6.318 7.676 2.014 1.00 0.00 H new ATOM 0 HA ALA A 39 7.264 4.890 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.410 4.252 1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.813 5.239 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.026 5.971 0.803 1.00 0.00 H new ATOM 633 N ASP A 40 8.568 4.637 0.446 1.00 0.00 N ATOM 634 CA ASP A 40 9.428 4.582 -0.769 1.00 0.00 C ATOM 635 C ASP A 40 8.545 4.416 -2.007 1.00 0.00 C ATOM 636 O ASP A 40 8.841 4.926 -3.069 1.00 0.00 O ATOM 637 CB ASP A 40 10.385 3.392 -0.662 1.00 0.00 C ATOM 638 CG ASP A 40 11.830 3.889 -0.744 1.00 0.00 C ATOM 639 OD1 ASP A 40 12.233 4.302 -1.819 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.508 3.849 0.270 1.00 0.00 O ATOM 0 H ASP A 40 8.700 3.871 1.106 1.00 0.00 H new ATOM 0 HA ASP A 40 10.003 5.504 -0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.223 2.865 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.188 2.680 -1.464 1.00 0.00 H new ATOM 645 N ALA A 41 7.457 3.707 -1.875 1.00 0.00 N ATOM 646 CA ALA A 41 6.547 3.505 -3.038 1.00 0.00 C ATOM 647 C ALA A 41 5.112 3.353 -2.527 1.00 0.00 C ATOM 648 O ALA A 41 4.824 2.504 -1.709 1.00 0.00 O ATOM 649 CB ALA A 41 6.958 2.241 -3.794 1.00 0.00 C ATOM 0 H ALA A 41 7.159 3.258 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 41 6.610 4.361 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.293 2.093 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.983 2.347 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.892 1.381 -3.128 1.00 0.00 H new ATOM 655 N VAL A 42 4.210 4.170 -2.995 1.00 0.00 N ATOM 656 CA VAL A 42 2.801 4.067 -2.520 1.00 0.00 C ATOM 657 C VAL A 42 2.089 2.925 -3.249 1.00 0.00 C ATOM 658 O VAL A 42 2.468 2.533 -4.336 1.00 0.00 O ATOM 659 CB VAL A 42 2.071 5.382 -2.796 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.692 5.348 -2.136 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.883 6.544 -2.218 1.00 0.00 C ATOM 0 H VAL A 42 4.386 4.902 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 42 2.798 3.866 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 42 1.956 5.516 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.171 6.285 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.114 4.519 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.807 5.215 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.365 7.483 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.996 6.409 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.867 6.569 -2.686 1.00 0.00 H new ATOM 671 N ILE A 43 1.057 2.391 -2.654 1.00 0.00 N ATOM 672 CA ILE A 43 0.310 1.276 -3.300 1.00 0.00 C ATOM 673 C ILE A 43 -1.169 1.381 -2.919 1.00 0.00 C ATOM 674 O ILE A 43 -1.562 1.036 -1.822 1.00 0.00 O ATOM 675 CB ILE A 43 0.866 -0.064 -2.811 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.269 -0.275 -3.385 1.00 0.00 C ATOM 677 CG2 ILE A 43 -0.051 -1.197 -3.277 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.723 -1.709 -3.108 1.00 0.00 C ATOM 0 H ILE A 43 0.698 2.681 -1.744 1.00 0.00 H new ATOM 0 HA ILE A 43 0.420 1.339 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 43 0.916 -0.061 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.267 -0.084 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.967 0.432 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.344 -2.151 -2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.050 -1.048 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.101 -1.200 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.722 -1.860 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.741 -1.884 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.030 -2.407 -3.577 1.00 0.00 H new ATOM 690 N VAL A 44 -1.992 1.860 -3.812 1.00 0.00 N ATOM 691 CA VAL A 44 -3.441 1.992 -3.491 1.00 0.00 C ATOM 692 C VAL A 44 -4.252 1.022 -4.353 1.00 0.00 C ATOM 693 O VAL A 44 -4.011 0.873 -5.535 1.00 0.00 O ATOM 694 CB VAL A 44 -3.895 3.425 -3.772 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.154 3.731 -2.960 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.782 4.396 -3.368 1.00 0.00 C ATOM 0 H VAL A 44 -1.724 2.165 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.600 1.757 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.112 3.537 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.477 4.752 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.946 3.038 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.937 3.621 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.102 5.419 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.568 4.283 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.883 4.179 -3.944 1.00 0.00 H new ATOM 706 N LEU A 45 -5.217 0.363 -3.769 1.00 0.00 N ATOM 707 CA LEU A 45 -6.047 -0.594 -4.551 1.00 0.00 C ATOM 708 C LEU A 45 -7.168 0.170 -5.260 1.00 0.00 C ATOM 709 O LEU A 45 -7.858 0.972 -4.664 1.00 0.00 O ATOM 710 CB LEU A 45 -6.657 -1.630 -3.605 1.00 0.00 C ATOM 711 CG LEU A 45 -5.623 -2.716 -3.300 1.00 0.00 C ATOM 712 CD1 LEU A 45 -5.395 -3.568 -4.550 1.00 0.00 C ATOM 713 CD2 LEU A 45 -4.304 -2.060 -2.885 1.00 0.00 C ATOM 0 H LEU A 45 -5.465 0.447 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.424 -1.099 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.978 -1.149 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.543 -2.074 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.987 -3.348 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.659 -4.342 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.334 -4.034 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.030 -2.936 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.566 -2.832 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.940 -1.429 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.465 -1.451 -1.996 1.00 0.00 H new ATOM 725 N ALA A 46 -7.352 -0.068 -6.529 1.00 0.00 N ATOM 726 CA ALA A 46 -8.427 0.649 -7.272 1.00 0.00 C ATOM 727 C ALA A 46 -9.785 0.039 -6.927 1.00 0.00 C ATOM 728 O ALA A 46 -10.778 0.731 -6.820 1.00 0.00 O ATOM 729 CB ALA A 46 -8.177 0.521 -8.776 1.00 0.00 C ATOM 0 H ALA A 46 -6.805 -0.727 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.423 1.702 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.962 1.045 -9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.210 0.959 -9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.181 -0.532 -9.057 1.00 0.00 H new ATOM 735 N GLY A 47 -9.840 -1.253 -6.750 1.00 0.00 N ATOM 736 CA GLY A 47 -11.137 -1.901 -6.409 1.00 0.00 C ATOM 737 C GLY A 47 -11.316 -1.920 -4.891 1.00 0.00 C ATOM 738 O GLY A 47 -11.875 -2.844 -4.333 1.00 0.00 O ATOM 0 H GLY A 47 -9.044 -1.886 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.960 -1.359 -6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.162 -2.918 -6.801 1.00 0.00 H new ATOM 742 N LEU A 48 -10.844 -0.907 -4.216 1.00 0.00 N ATOM 743 CA LEU A 48 -10.987 -0.870 -2.734 1.00 0.00 C ATOM 744 C LEU A 48 -11.671 0.433 -2.311 1.00 0.00 C ATOM 745 O LEU A 48 -12.311 0.500 -1.281 1.00 0.00 O ATOM 746 CB LEU A 48 -9.602 -0.950 -2.087 1.00 0.00 C ATOM 747 CG LEU A 48 -9.627 -1.980 -0.955 1.00 0.00 C ATOM 748 CD1 LEU A 48 -8.416 -2.906 -1.079 1.00 0.00 C ATOM 749 CD2 LEU A 48 -9.578 -1.256 0.394 1.00 0.00 C ATOM 0 H LEU A 48 -10.366 -0.105 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.593 -1.716 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.857 -1.230 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.313 0.027 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.542 -2.568 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.434 -3.639 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.449 -3.421 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.500 -2.318 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.596 -1.989 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.663 -0.668 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.441 -0.596 0.484 1.00 0.00 H new ATOM 761 N TRP A 49 -11.542 1.473 -3.093 1.00 0.00 N ATOM 762 CA TRP A 49 -12.190 2.763 -2.719 1.00 0.00 C ATOM 763 C TRP A 49 -13.695 2.551 -2.554 1.00 0.00 C ATOM 764 O TRP A 49 -14.381 3.349 -1.946 1.00 0.00 O ATOM 765 CB TRP A 49 -11.937 3.808 -3.808 1.00 0.00 C ATOM 766 CG TRP A 49 -12.495 3.336 -5.116 1.00 0.00 C ATOM 767 CD1 TRP A 49 -13.793 3.024 -5.347 1.00 0.00 C ATOM 768 CD2 TRP A 49 -11.795 3.129 -6.377 1.00 0.00 C ATOM 769 NE1 TRP A 49 -13.931 2.634 -6.667 1.00 0.00 N ATOM 770 CE2 TRP A 49 -12.729 2.682 -7.342 1.00 0.00 C ATOM 771 CE3 TRP A 49 -10.452 3.282 -6.771 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -12.343 2.398 -8.654 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.060 2.997 -8.091 1.00 0.00 C ATOM 774 CH2 TRP A 49 -11.004 2.555 -9.030 1.00 0.00 C ATOM 0 H TRP A 49 -11.019 1.485 -3.969 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.767 3.116 -1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.398 4.755 -3.528 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -10.867 3.991 -3.905 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.590 3.072 -4.619 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.814 2.346 -7.090 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.718 3.620 -6.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.073 2.059 -9.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.027 3.119 -8.383 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.698 2.336 -10.042 1.00 0.00 H new ATOM 785 N GLY A 50 -14.214 1.484 -3.096 1.00 0.00 N ATOM 786 CA GLY A 50 -15.678 1.218 -2.978 1.00 0.00 C ATOM 787 C GLY A 50 -16.147 1.532 -1.556 1.00 0.00 C ATOM 788 O GLY A 50 -17.279 1.913 -1.336 1.00 0.00 O ATOM 0 H GLY A 50 -13.687 0.783 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.227 1.828 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.889 0.176 -3.219 1.00 0.00 H new ATOM 792 N THR A 51 -15.286 1.376 -0.588 1.00 0.00 N ATOM 793 CA THR A 51 -15.687 1.667 0.817 1.00 0.00 C ATOM 794 C THR A 51 -14.736 2.707 1.413 1.00 0.00 C ATOM 795 O THR A 51 -15.156 3.670 2.022 1.00 0.00 O ATOM 796 CB THR A 51 -15.622 0.382 1.645 1.00 0.00 C ATOM 797 OG1 THR A 51 -15.385 0.711 3.007 1.00 0.00 O ATOM 798 CG2 THR A 51 -14.490 -0.507 1.128 1.00 0.00 C ATOM 0 H THR A 51 -14.324 1.060 -0.709 1.00 0.00 H new ATOM 0 HA THR A 51 -16.706 2.055 0.831 1.00 0.00 H new ATOM 0 HB THR A 51 -16.567 -0.154 1.558 1.00 0.00 H new ATOM 0 HG1 THR A 51 -15.344 -0.111 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.446 -1.421 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.673 -0.759 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.542 0.025 1.212 1.00 0.00 H new ATOM 806 N ARG A 52 -13.456 2.519 1.241 1.00 0.00 N ATOM 807 CA ARG A 52 -12.477 3.496 1.797 1.00 0.00 C ATOM 808 C ARG A 52 -12.223 4.603 0.770 1.00 0.00 C ATOM 809 O ARG A 52 -11.095 4.951 0.488 1.00 0.00 O ATOM 810 CB ARG A 52 -11.163 2.778 2.105 1.00 0.00 C ATOM 811 CG ARG A 52 -11.125 2.386 3.583 1.00 0.00 C ATOM 812 CD ARG A 52 -11.056 0.863 3.705 1.00 0.00 C ATOM 813 NE ARG A 52 -10.824 0.487 5.126 1.00 0.00 N ATOM 814 CZ ARG A 52 -11.369 -0.596 5.612 1.00 0.00 C ATOM 815 NH1 ARG A 52 -12.591 -0.913 5.284 1.00 0.00 N ATOM 816 NH2 ARG A 52 -10.691 -1.361 6.423 1.00 0.00 N ATOM 0 H ARG A 52 -13.046 1.731 0.740 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.877 3.933 2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.068 1.890 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.319 3.426 1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.261 2.840 4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.012 2.763 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.984 0.417 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.253 0.474 3.079 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.240 1.075 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.120 -0.315 4.649 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.018 -1.758 5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.735 -1.113 6.678 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.117 -2.207 6.802 1.00 0.00 H new ATOM 830 N ARG A 53 -13.262 5.156 0.209 1.00 0.00 N ATOM 831 CA ARG A 53 -13.075 6.238 -0.800 1.00 0.00 C ATOM 832 C ARG A 53 -12.279 7.389 -0.179 1.00 0.00 C ATOM 833 O ARG A 53 -11.366 7.920 -0.781 1.00 0.00 O ATOM 834 CB ARG A 53 -14.442 6.752 -1.256 1.00 0.00 C ATOM 835 CG ARG A 53 -14.319 7.367 -2.652 1.00 0.00 C ATOM 836 CD ARG A 53 -15.316 6.691 -3.596 1.00 0.00 C ATOM 837 NE ARG A 53 -16.398 7.653 -3.948 1.00 0.00 N ATOM 838 CZ ARG A 53 -17.465 7.234 -4.571 1.00 0.00 C ATOM 839 NH1 ARG A 53 -17.359 6.361 -5.535 1.00 0.00 N ATOM 840 NH2 ARG A 53 -18.640 7.689 -4.230 1.00 0.00 N ATOM 0 H ARG A 53 -14.232 4.907 0.405 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.530 5.842 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -15.163 5.935 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.816 7.495 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.513 8.439 -2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.304 7.242 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.807 6.354 -4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.741 5.807 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.305 8.638 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.441 6.005 -5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.194 6.034 -6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.724 8.372 -3.477 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -19.475 7.362 -4.717 1.00 0.00 H new ATOM 854 N ASP A 54 -12.621 7.782 1.017 1.00 0.00 N ATOM 855 CA ASP A 54 -11.888 8.902 1.672 1.00 0.00 C ATOM 856 C ASP A 54 -10.452 8.473 1.984 1.00 0.00 C ATOM 857 O ASP A 54 -9.541 9.276 1.980 1.00 0.00 O ATOM 858 CB ASP A 54 -12.598 9.282 2.974 1.00 0.00 C ATOM 859 CG ASP A 54 -12.554 10.800 3.156 1.00 0.00 C ATOM 860 OD1 ASP A 54 -12.632 11.499 2.159 1.00 0.00 O ATOM 861 OD2 ASP A 54 -12.441 11.237 4.289 1.00 0.00 O ATOM 0 H ASP A 54 -13.376 7.376 1.569 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.869 9.759 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.632 8.938 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.117 8.790 3.820 1.00 0.00 H new ATOM 866 N GLU A 55 -10.243 7.215 2.260 1.00 0.00 N ATOM 867 CA GLU A 55 -8.865 6.740 2.578 1.00 0.00 C ATOM 868 C GLU A 55 -7.974 6.877 1.341 1.00 0.00 C ATOM 869 O GLU A 55 -6.969 7.559 1.359 1.00 0.00 O ATOM 870 CB GLU A 55 -8.919 5.272 3.006 1.00 0.00 C ATOM 871 CG GLU A 55 -7.881 5.020 4.101 1.00 0.00 C ATOM 872 CD GLU A 55 -6.476 5.160 3.514 1.00 0.00 C ATOM 873 OE1 GLU A 55 -6.259 4.664 2.422 1.00 0.00 O ATOM 874 OE2 GLU A 55 -5.640 5.762 4.168 1.00 0.00 O ATOM 0 H GLU A 55 -10.966 6.495 2.279 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.453 7.342 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.916 5.025 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.724 4.625 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.018 5.730 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.014 4.023 4.520 1.00 0.00 H new ATOM 881 N ILE A 56 -8.332 6.227 0.268 1.00 0.00 N ATOM 882 CA ILE A 56 -7.506 6.311 -0.970 1.00 0.00 C ATOM 883 C ILE A 56 -7.318 7.777 -1.368 1.00 0.00 C ATOM 884 O ILE A 56 -6.210 8.262 -1.485 1.00 0.00 O ATOM 885 CB ILE A 56 -8.213 5.560 -2.101 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.103 4.053 -1.858 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.555 5.906 -3.439 1.00 0.00 C ATOM 888 CD1 ILE A 56 -9.354 3.560 -1.127 1.00 0.00 C ATOM 0 H ILE A 56 -9.163 5.640 0.195 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.530 5.862 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.263 5.852 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.993 3.528 -2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.214 3.833 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.060 5.370 -4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.631 6.979 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.505 5.616 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.275 2.487 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.444 4.076 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.235 3.766 -1.735 1.00 0.00 H new ATOM 900 N LEU A 57 -8.391 8.486 -1.583 1.00 0.00 N ATOM 901 CA LEU A 57 -8.273 9.918 -1.980 1.00 0.00 C ATOM 902 C LEU A 57 -7.219 10.613 -1.113 1.00 0.00 C ATOM 903 O LEU A 57 -6.610 11.583 -1.519 1.00 0.00 O ATOM 904 CB LEU A 57 -9.624 10.611 -1.792 1.00 0.00 C ATOM 905 CG LEU A 57 -10.138 11.103 -3.145 1.00 0.00 C ATOM 906 CD1 LEU A 57 -10.851 9.958 -3.868 1.00 0.00 C ATOM 907 CD2 LEU A 57 -11.117 12.258 -2.929 1.00 0.00 C ATOM 0 H LEU A 57 -9.346 8.136 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.973 9.977 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.341 9.920 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.522 11.450 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.298 11.446 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.217 10.309 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.153 9.135 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.691 9.613 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.484 12.609 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.957 11.915 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.609 13.074 -2.415 1.00 0.00 H new ATOM 919 N GLY A 58 -7.001 10.128 0.078 1.00 0.00 N ATOM 920 CA GLY A 58 -5.990 10.768 0.967 1.00 0.00 C ATOM 921 C GLY A 58 -4.584 10.533 0.409 1.00 0.00 C ATOM 922 O GLY A 58 -3.919 11.451 -0.029 1.00 0.00 O ATOM 0 H GLY A 58 -7.478 9.318 0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.186 11.837 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.065 10.356 1.973 1.00 0.00 H new ATOM 926 N ALA A 59 -4.124 9.312 0.429 1.00 0.00 N ATOM 927 CA ALA A 59 -2.759 9.018 -0.093 1.00 0.00 C ATOM 928 C ALA A 59 -2.574 9.665 -1.468 1.00 0.00 C ATOM 929 O ALA A 59 -1.508 10.144 -1.801 1.00 0.00 O ATOM 930 CB ALA A 59 -2.578 7.504 -0.220 1.00 0.00 C ATOM 0 H ALA A 59 -4.635 8.504 0.785 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.019 9.422 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.580 7.288 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.701 7.040 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.324 7.105 -0.907 1.00 0.00 H new ATOM 936 N VAL A 60 -3.601 9.679 -2.274 1.00 0.00 N ATOM 937 CA VAL A 60 -3.478 10.290 -3.628 1.00 0.00 C ATOM 938 C VAL A 60 -3.088 11.764 -3.499 1.00 0.00 C ATOM 939 O VAL A 60 -2.055 12.186 -3.977 1.00 0.00 O ATOM 940 CB VAL A 60 -4.815 10.176 -4.361 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.679 10.763 -5.767 1.00 0.00 C ATOM 942 CG2 VAL A 60 -5.214 8.702 -4.462 1.00 0.00 C ATOM 0 H VAL A 60 -4.519 9.294 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.707 9.764 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.579 10.725 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.632 10.681 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.392 11.812 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.915 10.214 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.167 8.618 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.449 8.155 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.311 8.282 -3.461 1.00 0.00 H new ATOM 952 N ASP A 61 -3.906 12.553 -2.857 1.00 0.00 N ATOM 953 CA ASP A 61 -3.576 13.999 -2.703 1.00 0.00 C ATOM 954 C ASP A 61 -2.181 14.144 -2.093 1.00 0.00 C ATOM 955 O ASP A 61 -1.300 14.748 -2.673 1.00 0.00 O ATOM 956 CB ASP A 61 -4.606 14.663 -1.786 1.00 0.00 C ATOM 957 CG ASP A 61 -5.657 15.382 -2.635 1.00 0.00 C ATOM 958 OD1 ASP A 61 -5.268 16.162 -3.489 1.00 0.00 O ATOM 959 OD2 ASP A 61 -6.832 15.140 -2.416 1.00 0.00 O ATOM 0 H ASP A 61 -4.786 12.260 -2.433 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.596 14.481 -3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.084 13.913 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.113 15.372 -1.121 1.00 0.00 H new ATOM 964 N LEU A 62 -1.972 13.596 -0.928 1.00 0.00 N ATOM 965 CA LEU A 62 -0.633 13.704 -0.282 1.00 0.00 C ATOM 966 C LEU A 62 0.449 13.282 -1.277 1.00 0.00 C ATOM 967 O LEU A 62 1.581 13.718 -1.200 1.00 0.00 O ATOM 968 CB LEU A 62 -0.583 12.790 0.944 1.00 0.00 C ATOM 969 CG LEU A 62 0.091 13.526 2.102 1.00 0.00 C ATOM 970 CD1 LEU A 62 0.236 12.578 3.294 1.00 0.00 C ATOM 971 CD2 LEU A 62 1.476 14.007 1.664 1.00 0.00 C ATOM 0 H LEU A 62 -2.670 13.078 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.461 14.735 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.592 12.489 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.033 11.879 0.709 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.518 14.383 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.717 13.103 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.750 12.234 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.845 11.721 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.957 14.532 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.084 13.150 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.375 14.682 0.815 1.00 0.00 H new ATOM 983 N ALA A 63 0.112 12.437 -2.212 1.00 0.00 N ATOM 984 CA ALA A 63 1.123 11.986 -3.210 1.00 0.00 C ATOM 985 C ALA A 63 1.453 13.140 -4.159 1.00 0.00 C ATOM 986 O ALA A 63 2.602 13.397 -4.461 1.00 0.00 O ATOM 987 CB ALA A 63 0.561 10.811 -4.011 1.00 0.00 C ATOM 0 H ALA A 63 -0.820 12.039 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 63 2.029 11.671 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.300 10.481 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.327 9.989 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.345 11.124 -4.529 1.00 0.00 H new ATOM 993 N ARG A 64 0.456 13.836 -4.635 1.00 0.00 N ATOM 994 CA ARG A 64 0.717 14.969 -5.565 1.00 0.00 C ATOM 995 C ARG A 64 1.417 16.103 -4.812 1.00 0.00 C ATOM 996 O ARG A 64 1.850 17.075 -5.398 1.00 0.00 O ATOM 997 CB ARG A 64 -0.609 15.478 -6.134 1.00 0.00 C ATOM 998 CG ARG A 64 -0.698 15.122 -7.619 1.00 0.00 C ATOM 999 CD ARG A 64 -2.010 15.658 -8.197 1.00 0.00 C ATOM 1000 NE ARG A 64 -2.101 17.126 -7.950 1.00 0.00 N ATOM 1001 CZ ARG A 64 -1.242 17.938 -8.505 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -0.400 17.492 -9.398 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -1.226 19.198 -8.168 1.00 0.00 N ATOM 0 H ARG A 64 -0.527 13.668 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 64 1.356 14.627 -6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.444 15.034 -5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.682 16.558 -6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.149 15.548 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.647 14.041 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.058 15.455 -9.267 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.857 15.148 -7.738 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.835 17.496 -7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.412 16.507 -9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.270 18.128 -9.830 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.884 19.548 -7.472 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.555 19.833 -8.601 1.00 0.00 H new ATOM 1017 N LYS A 65 1.531 15.987 -3.516 1.00 0.00 N ATOM 1018 CA LYS A 65 2.203 17.060 -2.730 1.00 0.00 C ATOM 1019 C LYS A 65 3.588 17.333 -3.320 1.00 0.00 C ATOM 1020 O LYS A 65 3.904 18.441 -3.704 1.00 0.00 O ATOM 1021 CB LYS A 65 2.349 16.615 -1.274 1.00 0.00 C ATOM 1022 CG LYS A 65 2.836 17.792 -0.427 1.00 0.00 C ATOM 1023 CD LYS A 65 1.880 18.007 0.748 1.00 0.00 C ATOM 1024 CE LYS A 65 0.895 19.128 0.409 1.00 0.00 C ATOM 1025 NZ LYS A 65 1.632 20.419 0.294 1.00 0.00 N ATOM 0 H LYS A 65 1.188 15.197 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 65 1.603 17.969 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.393 16.252 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.054 15.787 -1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.843 17.596 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.889 18.694 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.338 17.086 0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.443 18.263 1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.382 18.905 -0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.130 19.201 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.022 21.197 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.489 20.383 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.900 20.579 -0.698 1.00 0.00 H new ATOM 1039 N SER A 66 4.418 16.328 -3.395 1.00 0.00 N ATOM 1040 CA SER A 66 5.781 16.529 -3.959 1.00 0.00 C ATOM 1041 C SER A 66 5.900 15.772 -5.284 1.00 0.00 C ATOM 1042 O SER A 66 5.793 16.346 -6.349 1.00 0.00 O ATOM 1043 CB SER A 66 6.825 16.001 -2.974 1.00 0.00 C ATOM 1044 OG SER A 66 7.920 15.456 -3.697 1.00 0.00 O ATOM 0 H SER A 66 4.210 15.377 -3.090 1.00 0.00 H new ATOM 0 HA SER A 66 5.950 17.592 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.168 16.806 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.383 15.239 -2.332 1.00 0.00 H new ATOM 0 HG SER A 66 8.591 15.118 -3.068 1.00 0.00 H new ATOM 1050 N SER A 67 6.119 14.486 -5.226 1.00 0.00 N ATOM 1051 CA SER A 67 6.243 13.696 -6.483 1.00 0.00 C ATOM 1052 C SER A 67 6.520 12.231 -6.143 1.00 0.00 C ATOM 1053 O SER A 67 7.481 11.647 -6.605 1.00 0.00 O ATOM 1054 CB SER A 67 7.396 14.250 -7.322 1.00 0.00 C ATOM 1055 OG SER A 67 8.580 14.272 -6.534 1.00 0.00 O ATOM 0 H SER A 67 6.217 13.950 -4.364 1.00 0.00 H new ATOM 0 HA SER A 67 5.314 13.768 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.546 13.633 -8.208 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.158 15.255 -7.670 1.00 0.00 H new ATOM 0 HG SER A 67 9.322 14.625 -7.068 1.00 0.00 H new ATOM 1061 N LYS A 68 5.686 11.628 -5.338 1.00 0.00 N ATOM 1062 CA LYS A 68 5.905 10.200 -4.974 1.00 0.00 C ATOM 1063 C LYS A 68 5.246 9.300 -6.023 1.00 0.00 C ATOM 1064 O LYS A 68 4.311 9.705 -6.685 1.00 0.00 O ATOM 1065 CB LYS A 68 5.290 9.921 -3.601 1.00 0.00 C ATOM 1066 CG LYS A 68 6.039 10.723 -2.534 1.00 0.00 C ATOM 1067 CD LYS A 68 5.039 11.526 -1.700 1.00 0.00 C ATOM 1068 CE LYS A 68 5.794 12.370 -0.672 1.00 0.00 C ATOM 1069 NZ LYS A 68 6.537 11.473 0.257 1.00 0.00 N ATOM 0 H LYS A 68 4.864 12.063 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 68 6.975 9.994 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.234 10.193 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.345 8.856 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.607 10.051 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.756 11.394 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.443 12.169 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.346 10.852 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.487 13.043 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.095 12.992 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.793 11.999 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.936 10.664 0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.401 11.129 -0.209 1.00 0.00 H new ATOM 1083 N PRO A 69 5.757 8.102 -6.144 1.00 0.00 N ATOM 1084 CA PRO A 69 5.245 7.112 -7.107 1.00 0.00 C ATOM 1085 C PRO A 69 3.957 6.468 -6.585 1.00 0.00 C ATOM 1086 O PRO A 69 3.950 5.803 -5.569 1.00 0.00 O ATOM 1087 CB PRO A 69 6.372 6.080 -7.196 1.00 0.00 C ATOM 1088 CG PRO A 69 7.194 6.220 -5.893 1.00 0.00 C ATOM 1089 CD PRO A 69 6.895 7.623 -5.331 1.00 0.00 C ATOM 0 HA PRO A 69 4.994 7.548 -8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.969 5.072 -7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.996 6.261 -8.071 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.916 5.448 -5.175 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.259 6.102 -6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.639 7.582 -4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.758 8.282 -5.425 1.00 0.00 H new ATOM 1097 N ILE A 70 2.866 6.660 -7.276 1.00 0.00 N ATOM 1098 CA ILE A 70 1.580 6.056 -6.823 1.00 0.00 C ATOM 1099 C ILE A 70 1.366 4.722 -7.542 1.00 0.00 C ATOM 1100 O ILE A 70 1.155 4.678 -8.738 1.00 0.00 O ATOM 1101 CB ILE A 70 0.428 7.006 -7.155 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.604 8.310 -6.373 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.900 6.355 -6.765 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -0.449 9.323 -6.827 1.00 0.00 C ATOM 0 H ILE A 70 2.809 7.209 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 70 1.613 5.888 -5.747 1.00 0.00 H new ATOM 0 HB ILE A 70 0.428 7.218 -8.224 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.506 8.122 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.604 8.712 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.721 7.032 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.026 5.425 -7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.901 6.143 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.324 10.252 -6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.329 9.520 -7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.445 8.920 -6.642 1.00 0.00 H new ATOM 1116 N ILE A 71 1.425 3.635 -6.824 1.00 0.00 N ATOM 1117 CA ILE A 71 1.231 2.306 -7.468 1.00 0.00 C ATOM 1118 C ILE A 71 -0.235 1.883 -7.348 1.00 0.00 C ATOM 1119 O ILE A 71 -0.633 1.257 -6.386 1.00 0.00 O ATOM 1120 CB ILE A 71 2.114 1.270 -6.773 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.557 1.777 -6.731 1.00 0.00 C ATOM 1122 CG2 ILE A 71 2.059 -0.050 -7.544 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.092 1.915 -8.158 1.00 0.00 C ATOM 0 H ILE A 71 1.599 3.610 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 71 1.504 2.374 -8.521 1.00 0.00 H new ATOM 0 HB ILE A 71 1.754 1.110 -5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.601 2.739 -6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.180 1.086 -6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.689 -0.788 -7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.031 -0.412 -7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.418 0.108 -8.561 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.120 2.276 -8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.063 0.944 -8.653 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.475 2.623 -8.711 1.00 0.00 H new ATOM 1135 N THR A 72 -1.039 2.215 -8.320 1.00 0.00 N ATOM 1136 CA THR A 72 -2.476 1.827 -8.263 1.00 0.00 C ATOM 1137 C THR A 72 -2.651 0.436 -8.877 1.00 0.00 C ATOM 1138 O THR A 72 -2.199 0.170 -9.974 1.00 0.00 O ATOM 1139 CB THR A 72 -3.311 2.841 -9.047 1.00 0.00 C ATOM 1140 OG1 THR A 72 -3.197 2.571 -10.438 1.00 0.00 O ATOM 1141 CG2 THR A 72 -2.805 4.255 -8.756 1.00 0.00 C ATOM 0 H THR A 72 -0.763 2.738 -9.151 1.00 0.00 H new ATOM 0 HA THR A 72 -2.808 1.811 -7.225 1.00 0.00 H new ATOM 0 HB THR A 72 -4.356 2.763 -8.746 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.601 1.805 -10.575 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.400 4.977 -9.315 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.893 4.461 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.760 4.337 -9.056 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.300 -0.454 -8.178 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.500 -1.826 -8.723 1.00 0.00 C ATOM 1151 C VAL A 73 -4.899 -1.934 -9.333 1.00 0.00 C ATOM 1152 O VAL A 73 -5.881 -1.541 -8.735 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.356 -2.848 -7.594 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.551 -4.258 -8.154 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.958 -2.735 -6.981 1.00 0.00 C ATOM 0 H VAL A 73 -3.700 -0.291 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.753 -2.025 -9.491 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.108 -2.653 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.448 -4.986 -7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.545 -4.341 -8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.799 -4.453 -8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.854 -3.463 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.208 -2.931 -7.747 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.816 -1.730 -6.583 1.00 0.00 H new ATOM 1165 N ARG A 74 -4.997 -2.464 -10.521 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.332 -2.597 -11.170 1.00 0.00 C ATOM 1167 C ARG A 74 -7.202 -3.553 -10.349 1.00 0.00 C ATOM 1168 O ARG A 74 -6.725 -4.188 -9.429 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.157 -3.154 -12.584 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.382 -2.037 -13.606 1.00 0.00 C ATOM 1171 CD ARG A 74 -6.017 -2.544 -15.003 1.00 0.00 C ATOM 1172 NE ARG A 74 -5.302 -1.472 -15.751 1.00 0.00 N ATOM 1173 CZ ARG A 74 -5.390 -1.415 -17.052 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -6.371 -0.762 -17.612 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -4.496 -2.011 -17.793 1.00 0.00 N ATOM 0 H ARG A 74 -4.211 -2.811 -11.070 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.812 -1.620 -11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.157 -3.571 -12.700 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.863 -3.966 -12.756 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.423 -1.714 -13.585 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.774 -1.169 -13.352 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.387 -3.430 -14.926 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.918 -2.839 -15.541 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.744 -0.783 -15.247 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.069 -0.296 -17.033 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.439 -0.718 -18.629 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.729 -2.521 -17.355 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.565 -1.967 -18.810 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.457 -3.626 -10.711 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.431 -4.496 -10.029 1.00 0.00 C ATOM 1191 C PRO A 75 -9.243 -5.952 -10.466 1.00 0.00 C ATOM 1192 O PRO A 75 -8.608 -6.234 -11.463 1.00 0.00 O ATOM 1193 CB PRO A 75 -10.785 -3.954 -10.495 1.00 0.00 C ATOM 1194 CG PRO A 75 -10.521 -3.201 -11.819 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.023 -2.847 -11.833 1.00 0.00 C ATOM 0 HA PRO A 75 -9.327 -4.490 -8.944 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.497 -4.765 -10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.214 -3.287 -9.748 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.780 -3.822 -12.676 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.132 -2.301 -11.881 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.558 -3.118 -12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.865 -1.777 -11.695 1.00 0.00 H new ATOM 1203 N TYR A 76 -9.789 -6.878 -9.726 1.00 0.00 N ATOM 1204 CA TYR A 76 -9.642 -8.313 -10.098 1.00 0.00 C ATOM 1205 C TYR A 76 -10.400 -8.584 -11.398 1.00 0.00 C ATOM 1206 O TYR A 76 -10.202 -9.592 -12.046 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.215 -9.188 -8.981 1.00 0.00 C ATOM 1208 CG TYR A 76 -10.159 -10.638 -9.396 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -8.964 -11.182 -9.888 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -11.301 -11.442 -9.286 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -8.913 -12.528 -10.271 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -11.250 -12.789 -9.670 1.00 0.00 C ATOM 1213 CZ TYR A 76 -10.056 -13.332 -10.162 1.00 0.00 C ATOM 1214 OH TYR A 76 -10.005 -14.659 -10.539 1.00 0.00 O ATOM 0 H TYR A 76 -10.331 -6.702 -8.880 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.587 -8.546 -10.239 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.648 -9.040 -8.062 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.245 -8.899 -8.770 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.083 -10.563 -9.972 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.221 -11.024 -8.905 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.993 -12.947 -10.651 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.131 -13.408 -9.587 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.882 -15.073 -10.399 1.00 0.00 H new ATOM 1224 N GLY A 77 -11.268 -7.689 -11.786 1.00 0.00 N ATOM 1225 CA GLY A 77 -12.039 -7.895 -13.045 1.00 0.00 C ATOM 1226 C GLY A 77 -13.514 -8.127 -12.709 1.00 0.00 C ATOM 1227 O GLY A 77 -14.141 -9.032 -13.221 1.00 0.00 O ATOM 0 H GLY A 77 -11.476 -6.825 -11.286 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.935 -7.025 -13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.641 -8.750 -13.592 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.070 -7.317 -11.850 1.00 0.00 N ATOM 1232 CA LEU A 78 -15.503 -7.494 -11.482 1.00 0.00 C ATOM 1233 C LEU A 78 -16.202 -6.132 -11.477 1.00 0.00 C ATOM 1234 O LEU A 78 -17.344 -6.011 -11.080 1.00 0.00 O ATOM 1235 CB LEU A 78 -15.597 -8.121 -10.090 1.00 0.00 C ATOM 1236 CG LEU A 78 -16.657 -9.225 -10.095 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -16.136 -10.440 -9.327 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -17.931 -8.707 -9.425 1.00 0.00 C ATOM 0 H LEU A 78 -13.595 -6.542 -11.388 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.987 -8.147 -12.209 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.630 -8.532 -9.799 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.854 -7.360 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.876 -9.514 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.892 -11.225 -9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.227 -10.809 -9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.917 -10.154 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -18.688 -9.491 -9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -17.710 -8.419 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.304 -7.841 -9.973 1.00 0.00 H new ATOM 1250 N GLU A 79 -15.525 -5.105 -11.915 1.00 0.00 N ATOM 1251 CA GLU A 79 -16.147 -3.755 -11.937 1.00 0.00 C ATOM 1252 C GLU A 79 -15.515 -2.934 -13.062 1.00 0.00 C ATOM 1253 O GLU A 79 -15.196 -3.449 -14.116 1.00 0.00 O ATOM 1254 CB GLU A 79 -15.905 -3.067 -10.590 1.00 0.00 C ATOM 1255 CG GLU A 79 -17.089 -2.157 -10.263 1.00 0.00 C ATOM 1256 CD GLU A 79 -16.589 -0.913 -9.525 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -15.591 -0.357 -9.953 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -17.213 -0.539 -8.546 1.00 0.00 O ATOM 0 H GLU A 79 -14.566 -5.145 -12.259 1.00 0.00 H new ATOM 0 HA GLU A 79 -17.220 -3.839 -12.109 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.779 -3.813 -9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.984 -2.485 -10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.602 -1.867 -11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -17.813 -2.691 -9.648 1.00 0.00 H new ATOM 1265 N ASN A 80 -15.331 -1.662 -12.851 1.00 0.00 N ATOM 1266 CA ASN A 80 -14.719 -0.809 -13.909 1.00 0.00 C ATOM 1267 C ASN A 80 -13.860 0.272 -13.252 1.00 0.00 C ATOM 1268 O ASN A 80 -14.092 0.662 -12.125 1.00 0.00 O ATOM 1269 CB ASN A 80 -15.824 -0.152 -14.737 1.00 0.00 C ATOM 1270 CG ASN A 80 -16.959 0.294 -13.814 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -16.889 1.346 -13.209 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -18.011 -0.467 -13.677 1.00 0.00 N ATOM 0 H ASN A 80 -15.578 -1.174 -11.990 1.00 0.00 H new ATOM 0 HA ASN A 80 -14.097 -1.423 -14.560 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.425 0.705 -15.280 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.201 -0.854 -15.481 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.773 -0.178 -13.063 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.071 -1.350 -14.184 1.00 0.00 H new ATOM 1279 N VAL A 81 -12.868 0.761 -13.945 1.00 0.00 N ATOM 1280 CA VAL A 81 -11.998 1.816 -13.354 1.00 0.00 C ATOM 1281 C VAL A 81 -12.351 3.174 -13.975 1.00 0.00 C ATOM 1282 O VAL A 81 -12.509 3.277 -15.175 1.00 0.00 O ATOM 1283 CB VAL A 81 -10.533 1.489 -13.644 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.639 2.589 -13.069 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -10.171 0.151 -12.996 1.00 0.00 C ATOM 0 H VAL A 81 -12.623 0.476 -14.893 1.00 0.00 H new ATOM 0 HA VAL A 81 -12.155 1.856 -12.276 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.383 1.425 -14.722 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.595 2.355 -13.276 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.895 3.543 -13.529 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.789 2.654 -11.991 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.127 -0.083 -13.203 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.322 0.216 -11.918 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.806 -0.635 -13.405 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.466 4.177 -13.139 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.802 5.541 -13.581 1.00 0.00 C ATOM 1297 C PRO A 82 -11.562 6.234 -14.161 1.00 0.00 C ATOM 1298 O PRO A 82 -10.452 5.947 -13.763 1.00 0.00 O ATOM 1299 CB PRO A 82 -13.259 6.233 -12.294 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.633 5.437 -11.125 1.00 0.00 C ATOM 1301 CD PRO A 82 -12.275 4.046 -11.680 1.00 0.00 C ATOM 0 HA PRO A 82 -13.560 5.564 -14.364 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.932 7.273 -12.275 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.347 6.239 -12.221 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.745 5.942 -10.744 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.334 5.354 -10.294 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.249 3.772 -11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.919 3.273 -11.262 1.00 0.00 H new ATOM 1309 N PRO A 83 -11.796 7.126 -15.090 1.00 0.00 N ATOM 1310 CA PRO A 83 -10.720 7.884 -15.751 1.00 0.00 C ATOM 1311 C PRO A 83 -10.227 9.016 -14.844 1.00 0.00 C ATOM 1312 O PRO A 83 -9.136 9.524 -15.006 1.00 0.00 O ATOM 1313 CB PRO A 83 -11.396 8.447 -17.004 1.00 0.00 C ATOM 1314 CG PRO A 83 -12.915 8.466 -16.710 1.00 0.00 C ATOM 1315 CD PRO A 83 -13.154 7.464 -15.564 1.00 0.00 C ATOM 0 HA PRO A 83 -9.845 7.275 -15.980 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.031 9.450 -17.225 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.177 7.829 -17.875 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.242 9.466 -16.425 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.485 8.185 -17.596 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.755 7.904 -14.769 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.686 6.579 -15.913 1.00 0.00 H new ATOM 1323 N GLU A 84 -11.024 9.413 -13.891 1.00 0.00 N ATOM 1324 CA GLU A 84 -10.605 10.512 -12.976 1.00 0.00 C ATOM 1325 C GLU A 84 -9.330 10.105 -12.234 1.00 0.00 C ATOM 1326 O GLU A 84 -8.478 10.924 -11.950 1.00 0.00 O ATOM 1327 CB GLU A 84 -11.720 10.784 -11.963 1.00 0.00 C ATOM 1328 CG GLU A 84 -12.455 12.071 -12.344 1.00 0.00 C ATOM 1329 CD GLU A 84 -13.258 12.574 -11.143 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -13.047 12.059 -10.058 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -14.068 13.466 -11.329 1.00 0.00 O ATOM 0 H GLU A 84 -11.948 9.024 -13.706 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.412 11.414 -13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.418 9.947 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.301 10.875 -10.961 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.740 12.830 -12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.120 11.887 -13.188 1.00 0.00 H new ATOM 1338 N LEU A 85 -9.192 8.848 -11.915 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.973 8.394 -11.188 1.00 0.00 C ATOM 1340 C LEU A 85 -6.795 8.307 -12.162 1.00 0.00 C ATOM 1341 O LEU A 85 -5.651 8.454 -11.779 1.00 0.00 O ATOM 1342 CB LEU A 85 -8.230 7.016 -10.575 1.00 0.00 C ATOM 1343 CG LEU A 85 -8.098 7.102 -9.054 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -9.463 6.855 -8.408 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -7.106 6.042 -8.568 1.00 0.00 C ATOM 0 H LEU A 85 -9.870 8.116 -12.126 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.737 9.107 -10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.226 6.666 -10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.519 6.291 -10.972 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.738 8.093 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.369 6.916 -7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.171 7.608 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.823 5.864 -8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.011 6.102 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.466 5.052 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.133 6.216 -9.028 1.00 0.00 H new ATOM 1357 N GLU A 86 -7.063 8.070 -13.417 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.954 7.975 -14.409 1.00 0.00 C ATOM 1359 C GLU A 86 -5.328 9.356 -14.606 1.00 0.00 C ATOM 1360 O GLU A 86 -4.220 9.484 -15.088 1.00 0.00 O ATOM 1361 CB GLU A 86 -6.505 7.465 -15.743 1.00 0.00 C ATOM 1362 CG GLU A 86 -5.905 6.091 -16.051 1.00 0.00 C ATOM 1363 CD GLU A 86 -6.911 5.265 -16.856 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -7.877 5.839 -17.327 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -6.696 4.071 -16.985 1.00 0.00 O ATOM 0 H GLU A 86 -8.000 7.938 -13.798 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.196 7.283 -14.043 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.592 7.397 -15.698 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.262 8.167 -16.541 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.978 6.205 -16.614 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.654 5.576 -15.124 1.00 0.00 H new ATOM 1372 N ALA A 87 -6.029 10.394 -14.235 1.00 0.00 N ATOM 1373 CA ALA A 87 -5.473 11.766 -14.400 1.00 0.00 C ATOM 1374 C ALA A 87 -4.538 12.082 -13.230 1.00 0.00 C ATOM 1375 O ALA A 87 -3.857 13.087 -13.222 1.00 0.00 O ATOM 1376 CB ALA A 87 -6.619 12.780 -14.426 1.00 0.00 C ATOM 0 H ALA A 87 -6.962 10.350 -13.825 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.916 11.823 -15.335 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.213 13.784 -14.547 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.285 12.555 -15.259 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.176 12.724 -13.491 1.00 0.00 H new ATOM 1382 N VAL A 88 -4.500 11.230 -12.242 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.610 11.481 -11.074 1.00 0.00 C ATOM 1384 C VAL A 88 -2.878 10.190 -10.705 1.00 0.00 C ATOM 1385 O VAL A 88 -2.608 9.927 -9.550 1.00 0.00 O ATOM 1386 CB VAL A 88 -4.449 11.946 -9.884 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -5.098 13.291 -10.209 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -5.538 10.910 -9.597 1.00 0.00 C ATOM 0 H VAL A 88 -5.047 10.371 -12.194 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.883 12.252 -11.331 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.809 12.056 -9.009 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.696 13.621 -9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.323 14.029 -10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.739 13.184 -11.084 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.138 11.239 -8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.177 10.801 -10.473 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.075 9.951 -9.364 1.00 0.00 H new ATOM 1398 N SER A 89 -2.556 9.379 -11.676 1.00 0.00 N ATOM 1399 CA SER A 89 -1.842 8.106 -11.377 1.00 0.00 C ATOM 1400 C SER A 89 -0.471 8.119 -12.055 1.00 0.00 C ATOM 1401 O SER A 89 -0.341 8.473 -13.210 1.00 0.00 O ATOM 1402 CB SER A 89 -2.662 6.927 -11.904 1.00 0.00 C ATOM 1403 OG SER A 89 -2.863 5.990 -10.854 1.00 0.00 O ATOM 0 H SER A 89 -2.757 9.543 -12.663 1.00 0.00 H new ATOM 0 HA SER A 89 -1.712 8.005 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.622 7.277 -12.284 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.144 6.452 -12.737 1.00 0.00 H new ATOM 0 HG SER A 89 -3.416 5.249 -11.178 1.00 0.00 H new ATOM 1409 N SER A 90 0.556 7.738 -11.345 1.00 0.00 N ATOM 1410 CA SER A 90 1.918 7.731 -11.948 1.00 0.00 C ATOM 1411 C SER A 90 2.285 6.308 -12.376 1.00 0.00 C ATOM 1412 O SER A 90 3.003 6.106 -13.336 1.00 0.00 O ATOM 1413 CB SER A 90 2.932 8.232 -10.920 1.00 0.00 C ATOM 1414 OG SER A 90 4.045 8.803 -11.598 1.00 0.00 O ATOM 0 H SER A 90 0.510 7.431 -10.373 1.00 0.00 H new ATOM 0 HA SER A 90 1.930 8.384 -12.821 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.470 8.973 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.261 7.409 -10.286 1.00 0.00 H new ATOM 0 HG SER A 90 4.697 9.127 -10.942 1.00 0.00 H new ATOM 1420 N GLU A 91 1.800 5.320 -11.675 1.00 0.00 N ATOM 1421 CA GLU A 91 2.127 3.913 -12.048 1.00 0.00 C ATOM 1422 C GLU A 91 0.861 3.056 -11.978 1.00 0.00 C ATOM 1423 O GLU A 91 0.259 2.908 -10.935 1.00 0.00 O ATOM 1424 CB GLU A 91 3.169 3.357 -11.075 1.00 0.00 C ATOM 1425 CG GLU A 91 4.563 3.827 -11.495 1.00 0.00 C ATOM 1426 CD GLU A 91 5.541 2.653 -11.417 1.00 0.00 C ATOM 1427 OE1 GLU A 91 5.371 1.822 -10.541 1.00 0.00 O ATOM 1428 OE2 GLU A 91 6.444 2.606 -12.237 1.00 0.00 O ATOM 0 H GLU A 91 1.193 5.425 -10.862 1.00 0.00 H new ATOM 0 HA GLU A 91 2.525 3.891 -13.063 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.951 3.693 -10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.129 2.268 -11.066 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.534 4.224 -12.510 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.897 4.636 -10.846 1.00 0.00 H new ATOM 1435 N VAL A 92 0.455 2.487 -13.079 1.00 0.00 N ATOM 1436 CA VAL A 92 -0.770 1.637 -13.071 1.00 0.00 C ATOM 1437 C VAL A 92 -0.394 0.206 -13.465 1.00 0.00 C ATOM 1438 O VAL A 92 0.251 -0.021 -14.469 1.00 0.00 O ATOM 1439 CB VAL A 92 -1.787 2.191 -14.070 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -2.168 3.619 -13.672 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -1.174 2.201 -15.471 1.00 0.00 C ATOM 0 H VAL A 92 0.918 2.573 -13.984 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.208 1.640 -12.073 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.677 1.562 -14.067 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.893 4.014 -14.384 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.606 3.614 -12.674 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.277 4.247 -13.675 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.899 2.596 -16.183 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.283 2.829 -15.474 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.902 1.185 -15.756 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.789 -0.761 -12.683 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.447 -2.173 -13.018 1.00 0.00 C ATOM 1453 C VAL A 93 -1.726 -3.007 -13.104 1.00 0.00 C ATOM 1454 O VAL A 93 -2.780 -2.595 -12.661 1.00 0.00 O ATOM 1455 CB VAL A 93 0.462 -2.748 -11.932 1.00 0.00 C ATOM 1456 CG1 VAL A 93 1.893 -2.255 -12.149 1.00 0.00 C ATOM 1457 CG2 VAL A 93 -0.032 -2.288 -10.558 1.00 0.00 C ATOM 0 H VAL A 93 -1.332 -0.635 -11.829 1.00 0.00 H new ATOM 0 HA VAL A 93 0.068 -2.201 -13.978 1.00 0.00 H new ATOM 0 HB VAL A 93 0.442 -3.837 -11.981 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.541 -2.665 -11.374 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.246 -2.581 -13.127 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.914 -1.166 -12.100 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.616 -2.698 -9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.012 -1.199 -10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.052 -2.639 -10.402 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.641 -4.181 -13.670 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.849 -5.046 -13.784 1.00 0.00 C ATOM 1469 C GLY A 94 -2.855 -6.067 -12.645 1.00 0.00 C ATOM 1470 O GLY A 94 -2.406 -5.791 -11.550 1.00 0.00 O ATOM 0 H GLY A 94 -0.786 -4.578 -14.059 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.751 -4.436 -13.744 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.853 -5.558 -14.746 1.00 0.00 H new ATOM 1474 N TRP A 95 -3.359 -7.244 -12.892 1.00 0.00 N ATOM 1475 CA TRP A 95 -3.392 -8.279 -11.820 1.00 0.00 C ATOM 1476 C TRP A 95 -2.360 -9.368 -12.126 1.00 0.00 C ATOM 1477 O TRP A 95 -2.702 -10.502 -12.398 1.00 0.00 O ATOM 1478 CB TRP A 95 -4.788 -8.902 -11.754 1.00 0.00 C ATOM 1479 CG TRP A 95 -5.413 -8.585 -10.433 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -6.102 -7.457 -10.151 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.417 -9.384 -9.213 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.529 -7.509 -8.837 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.132 -8.678 -8.217 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.876 -10.640 -8.879 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.304 -9.199 -6.934 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -5.046 -11.168 -7.589 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.760 -10.449 -6.617 1.00 0.00 C ATOM 0 H TRP A 95 -3.749 -7.534 -13.789 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.156 -7.815 -10.862 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -5.408 -8.517 -12.564 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.723 -9.982 -11.888 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.289 -6.647 -10.840 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.071 -6.775 -8.381 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.326 -11.201 -9.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.853 -8.641 -6.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.625 -12.132 -7.343 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.889 -10.860 -5.627 1.00 0.00 H new ATOM 1498 N ASN A 96 -1.099 -9.033 -12.080 1.00 0.00 N ATOM 1499 CA ASN A 96 -0.047 -10.050 -12.364 1.00 0.00 C ATOM 1500 C ASN A 96 1.105 -9.883 -11.369 1.00 0.00 C ATOM 1501 O ASN A 96 1.337 -8.801 -10.867 1.00 0.00 O ATOM 1502 CB ASN A 96 0.475 -9.861 -13.791 1.00 0.00 C ATOM 1503 CG ASN A 96 0.162 -11.109 -14.618 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -0.803 -11.800 -14.355 1.00 0.00 O ATOM 1505 ND2 ASN A 96 0.940 -11.429 -15.615 1.00 0.00 N ATOM 0 H ASN A 96 -0.752 -8.100 -11.858 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.470 -11.049 -12.264 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.013 -8.985 -14.246 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.550 -9.682 -13.776 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.738 -12.258 -16.173 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.750 -10.850 -15.836 1.00 0.00 H new ATOM 1512 N PRO A 97 1.793 -10.967 -11.113 1.00 0.00 N ATOM 1513 CA PRO A 97 2.931 -10.983 -10.177 1.00 0.00 C ATOM 1514 C PRO A 97 4.183 -10.400 -10.842 1.00 0.00 C ATOM 1515 O PRO A 97 4.924 -9.650 -10.240 1.00 0.00 O ATOM 1516 CB PRO A 97 3.120 -12.471 -9.869 1.00 0.00 C ATOM 1517 CG PRO A 97 2.481 -13.245 -11.046 1.00 0.00 C ATOM 1518 CD PRO A 97 1.499 -12.276 -11.732 1.00 0.00 C ATOM 0 HA PRO A 97 2.758 -10.385 -9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.178 -12.716 -9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 97 2.643 -12.736 -8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.244 -13.583 -11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 97 1.961 -14.134 -10.688 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.653 -12.250 -12.811 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.464 -12.573 -11.564 1.00 0.00 H new ATOM 1526 N HIS A 98 4.425 -10.742 -12.078 1.00 0.00 N ATOM 1527 CA HIS A 98 5.630 -10.210 -12.775 1.00 0.00 C ATOM 1528 C HIS A 98 5.382 -8.760 -13.198 1.00 0.00 C ATOM 1529 O HIS A 98 6.292 -7.956 -13.250 1.00 0.00 O ATOM 1530 CB HIS A 98 5.917 -11.059 -14.014 1.00 0.00 C ATOM 1531 CG HIS A 98 6.693 -12.285 -13.614 1.00 0.00 C ATOM 1532 ND1 HIS A 98 8.048 -12.420 -13.875 1.00 0.00 N ATOM 1533 CD2 HIS A 98 6.318 -13.442 -12.974 1.00 0.00 C ATOM 1534 CE1 HIS A 98 8.436 -13.617 -13.398 1.00 0.00 C ATOM 1535 NE2 HIS A 98 7.420 -14.280 -12.839 1.00 0.00 N ATOM 0 H HIS A 98 3.841 -11.366 -12.635 1.00 0.00 H new ATOM 0 HA HIS A 98 6.485 -10.248 -12.099 1.00 0.00 H new ATOM 0 HB2 HIS A 98 4.982 -11.348 -14.494 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.483 -10.479 -14.742 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.320 -13.666 -12.628 1.00 0.00 H new ATOM 0 HE1 HIS A 98 9.446 -13.995 -13.460 1.00 0.00 H new ATOM 0 HE2 HIS A 98 7.447 -15.203 -12.406 1.00 0.00 H new ATOM 1543 N CYS A 99 4.160 -8.418 -13.503 1.00 0.00 N ATOM 1544 CA CYS A 99 3.862 -7.020 -13.924 1.00 0.00 C ATOM 1545 C CYS A 99 3.964 -6.085 -12.716 1.00 0.00 C ATOM 1546 O CYS A 99 4.499 -4.998 -12.804 1.00 0.00 O ATOM 1547 CB CYS A 99 2.446 -6.953 -14.502 1.00 0.00 C ATOM 1548 SG CYS A 99 2.404 -5.756 -15.858 1.00 0.00 S ATOM 0 H CYS A 99 3.356 -9.045 -13.479 1.00 0.00 H new ATOM 0 HA CYS A 99 4.581 -6.710 -14.682 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.141 -7.936 -14.861 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.738 -6.664 -13.725 1.00 0.00 H new ATOM 0 HG CYS A 99 1.202 -5.700 -16.351 1.00 0.00 H new ATOM 1554 N ILE A 100 3.454 -6.499 -11.589 1.00 0.00 N ATOM 1555 CA ILE A 100 3.520 -5.633 -10.377 1.00 0.00 C ATOM 1556 C ILE A 100 4.982 -5.325 -10.043 1.00 0.00 C ATOM 1557 O ILE A 100 5.328 -4.212 -9.698 1.00 0.00 O ATOM 1558 CB ILE A 100 2.870 -6.359 -9.198 1.00 0.00 C ATOM 1559 CG1 ILE A 100 1.355 -6.411 -9.405 1.00 0.00 C ATOM 1560 CG2 ILE A 100 3.180 -5.609 -7.902 1.00 0.00 C ATOM 1561 CD1 ILE A 100 0.774 -7.593 -8.627 1.00 0.00 C ATOM 0 H ILE A 100 2.994 -7.400 -11.454 1.00 0.00 H new ATOM 0 HA ILE A 100 2.990 -4.700 -10.569 1.00 0.00 H new ATOM 0 HB ILE A 100 3.265 -7.373 -9.134 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.899 -5.480 -9.067 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.125 -6.512 -10.466 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.717 -6.127 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.259 -5.570 -7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.786 -4.595 -7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.305 -7.630 -8.774 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.221 -8.520 -8.986 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.991 -7.472 -7.566 1.00 0.00 H new ATOM 1573 N ARG A 101 5.842 -6.302 -10.139 1.00 0.00 N ATOM 1574 CA ARG A 101 7.279 -6.065 -9.824 1.00 0.00 C ATOM 1575 C ARG A 101 7.869 -5.067 -10.823 1.00 0.00 C ATOM 1576 O ARG A 101 8.620 -4.183 -10.461 1.00 0.00 O ATOM 1577 CB ARG A 101 8.044 -7.389 -9.913 1.00 0.00 C ATOM 1578 CG ARG A 101 9.219 -7.369 -8.933 1.00 0.00 C ATOM 1579 CD ARG A 101 10.495 -7.799 -9.657 1.00 0.00 C ATOM 1580 NE ARG A 101 10.590 -9.287 -9.656 1.00 0.00 N ATOM 1581 CZ ARG A 101 10.543 -9.944 -10.783 1.00 0.00 C ATOM 1582 NH1 ARG A 101 11.056 -9.424 -11.863 1.00 0.00 N ATOM 1583 NH2 ARG A 101 9.983 -11.121 -10.827 1.00 0.00 N ATOM 0 H ARG A 101 5.611 -7.254 -10.422 1.00 0.00 H new ATOM 0 HA ARG A 101 7.366 -5.659 -8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 101 7.379 -8.221 -9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.407 -7.543 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.343 -6.369 -8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.020 -8.039 -8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.488 -7.425 -10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.367 -7.368 -9.166 1.00 0.00 H new ATOM 0 HE ARG A 101 10.692 -9.791 -8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.494 -8.504 -11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.019 -9.938 -12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 101 9.582 -11.527 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 101 9.946 -11.635 -11.707 1.00 0.00 H new ATOM 1597 N ASP A 102 7.539 -5.205 -12.077 1.00 0.00 N ATOM 1598 CA ASP A 102 8.084 -4.267 -13.101 1.00 0.00 C ATOM 1599 C ASP A 102 7.734 -2.826 -12.722 1.00 0.00 C ATOM 1600 O ASP A 102 8.465 -1.902 -13.021 1.00 0.00 O ATOM 1601 CB ASP A 102 7.475 -4.597 -14.466 1.00 0.00 C ATOM 1602 CG ASP A 102 8.561 -5.151 -15.389 1.00 0.00 C ATOM 1603 OD1 ASP A 102 9.712 -4.798 -15.197 1.00 0.00 O ATOM 1604 OD2 ASP A 102 8.222 -5.921 -16.273 1.00 0.00 O ATOM 0 H ASP A 102 6.915 -5.927 -12.438 1.00 0.00 H new ATOM 0 HA ASP A 102 9.168 -4.373 -13.147 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.673 -5.327 -14.352 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.032 -3.703 -14.904 1.00 0.00 H new ATOM 1609 N ALA A 103 6.621 -2.623 -12.071 1.00 0.00 N ATOM 1610 CA ALA A 103 6.228 -1.238 -11.683 1.00 0.00 C ATOM 1611 C ALA A 103 7.095 -0.763 -10.513 1.00 0.00 C ATOM 1612 O ALA A 103 7.556 0.361 -10.489 1.00 0.00 O ATOM 1613 CB ALA A 103 4.757 -1.225 -11.262 1.00 0.00 C ATOM 0 H ALA A 103 5.968 -3.355 -11.791 1.00 0.00 H new ATOM 0 HA ALA A 103 6.372 -0.572 -12.533 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.469 -0.213 -10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.137 -1.559 -12.094 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.616 -1.894 -10.413 1.00 0.00 H new ATOM 1619 N LEU A 104 7.316 -1.606 -9.543 1.00 0.00 N ATOM 1620 CA LEU A 104 8.148 -1.198 -8.375 1.00 0.00 C ATOM 1621 C LEU A 104 9.558 -0.836 -8.848 1.00 0.00 C ATOM 1622 O LEU A 104 10.201 0.036 -8.299 1.00 0.00 O ATOM 1623 CB LEU A 104 8.227 -2.356 -7.378 1.00 0.00 C ATOM 1624 CG LEU A 104 7.638 -1.916 -6.037 1.00 0.00 C ATOM 1625 CD1 LEU A 104 6.161 -1.564 -6.218 1.00 0.00 C ATOM 1626 CD2 LEU A 104 7.768 -3.057 -5.026 1.00 0.00 C ATOM 0 H LEU A 104 6.957 -2.560 -9.508 1.00 0.00 H new ATOM 0 HA LEU A 104 7.695 -0.331 -7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.681 -3.218 -7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.263 -2.667 -7.247 1.00 0.00 H new ATOM 0 HG LEU A 104 8.178 -1.042 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.742 -1.251 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.066 -0.752 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.621 -2.438 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.349 -2.745 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.228 -3.930 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.820 -3.310 -4.896 1.00 0.00 H new ATOM 1638 N GLU A 105 10.044 -1.498 -9.861 1.00 0.00 N ATOM 1639 CA GLU A 105 11.412 -1.190 -10.365 1.00 0.00 C ATOM 1640 C GLU A 105 11.537 0.313 -10.627 1.00 0.00 C ATOM 1641 O GLU A 105 12.608 0.880 -10.549 1.00 0.00 O ATOM 1642 CB GLU A 105 11.660 -1.957 -11.666 1.00 0.00 C ATOM 1643 CG GLU A 105 11.577 -3.461 -11.395 1.00 0.00 C ATOM 1644 CD GLU A 105 12.851 -4.141 -11.900 1.00 0.00 C ATOM 1645 OE1 GLU A 105 13.165 -3.976 -13.067 1.00 0.00 O ATOM 1646 OE2 GLU A 105 13.490 -4.817 -11.111 1.00 0.00 O ATOM 0 H GLU A 105 9.553 -2.239 -10.362 1.00 0.00 H new ATOM 0 HA GLU A 105 12.148 -1.489 -9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.923 -1.670 -12.416 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.640 -1.703 -12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.454 -3.643 -10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.704 -3.884 -11.893 1.00 0.00 H new ATOM 1653 N ASP A 106 10.448 0.961 -10.939 1.00 0.00 N ATOM 1654 CA ASP A 106 10.503 2.425 -11.208 1.00 0.00 C ATOM 1655 C ASP A 106 10.834 3.175 -9.917 1.00 0.00 C ATOM 1656 O ASP A 106 11.715 4.010 -9.880 1.00 0.00 O ATOM 1657 CB ASP A 106 9.147 2.896 -11.736 1.00 0.00 C ATOM 1658 CG ASP A 106 9.251 3.177 -13.235 1.00 0.00 C ATOM 1659 OD1 ASP A 106 9.845 2.369 -13.930 1.00 0.00 O ATOM 1660 OD2 ASP A 106 8.736 4.196 -13.665 1.00 0.00 O ATOM 0 H ASP A 106 9.523 0.539 -11.019 1.00 0.00 H new ATOM 0 HA ASP A 106 11.275 2.627 -11.950 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.389 2.135 -11.550 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.832 3.796 -11.208 1.00 0.00 H new ATOM 1665 N ALA A 107 10.130 2.888 -8.856 1.00 0.00 N ATOM 1666 CA ALA A 107 10.402 3.588 -7.569 1.00 0.00 C ATOM 1667 C ALA A 107 11.886 3.463 -7.219 1.00 0.00 C ATOM 1668 O ALA A 107 12.516 4.413 -6.797 1.00 0.00 O ATOM 1669 CB ALA A 107 9.562 2.954 -6.458 1.00 0.00 C ATOM 0 H ALA A 107 9.378 2.199 -8.825 1.00 0.00 H new ATOM 0 HA ALA A 107 10.142 4.642 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.760 3.465 -5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.504 3.045 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.823 1.900 -6.361 1.00 0.00 H new ATOM 1675 N LEU A 108 12.450 2.299 -7.389 1.00 0.00 N ATOM 1676 CA LEU A 108 13.892 2.113 -7.063 1.00 0.00 C ATOM 1677 C LEU A 108 14.735 3.095 -7.879 1.00 0.00 C ATOM 1678 O LEU A 108 15.642 3.721 -7.368 1.00 0.00 O ATOM 1679 CB LEU A 108 14.309 0.680 -7.398 1.00 0.00 C ATOM 1680 CG LEU A 108 14.839 -0.004 -6.136 1.00 0.00 C ATOM 1681 CD1 LEU A 108 13.756 0.009 -5.056 1.00 0.00 C ATOM 1682 CD2 LEU A 108 15.216 -1.450 -6.462 1.00 0.00 C ATOM 0 H LEU A 108 11.974 1.468 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 108 14.050 2.299 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.459 0.126 -7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.076 0.684 -8.172 1.00 0.00 H new ATOM 0 HG LEU A 108 15.718 0.529 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.133 -0.478 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.486 1.039 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.877 -0.525 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.594 -1.939 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.336 -1.983 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.987 -1.460 -7.232 1.00 0.00 H new