USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 CYS SG : rot -75:sc= -3.9! USER MOD Single : A 22 ASN : amide:sc= -1.39 K(o=-1.4,f=-7.1!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.379 K(o=-0.38,f=-2.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -147:sc= -0.107 (180deg=-0.883) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 75:sc= -0.456 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00056 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -1.61! C(o=-3.4!,f=-1.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 7 10.650 -4.519 -0.598 1.00 0.00 N ATOM 56 CA GLY A 7 9.382 -5.045 -1.073 1.00 0.00 C ATOM 57 C GLY A 7 9.516 -6.514 -1.481 1.00 0.00 C ATOM 58 O GLY A 7 9.044 -6.911 -2.546 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.628 -4.948 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.036 -4.458 -1.924 1.00 0.00 H new ATOM 62 N GLY A 8 10.160 -7.279 -0.613 1.00 0.00 N ATOM 63 CA GLY A 8 10.361 -8.695 -0.870 1.00 0.00 C ATOM 64 C GLY A 8 9.136 -9.310 -1.550 1.00 0.00 C ATOM 65 O GLY A 8 9.130 -9.511 -2.763 1.00 0.00 O ATOM 0 H GLY A 8 10.549 -6.946 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.239 -8.832 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.559 -9.214 0.068 1.00 0.00 H new ATOM 69 N GLU A 9 8.127 -9.590 -0.738 1.00 0.00 N ATOM 70 CA GLU A 9 6.899 -10.177 -1.244 1.00 0.00 C ATOM 71 C GLU A 9 5.684 -9.484 -0.624 1.00 0.00 C ATOM 72 O GLU A 9 5.604 -9.335 0.595 1.00 0.00 O ATOM 73 CB GLU A 9 6.863 -11.684 -0.984 1.00 0.00 C ATOM 74 CG GLU A 9 6.421 -11.982 0.451 1.00 0.00 C ATOM 75 CD GLU A 9 6.982 -13.323 0.930 1.00 0.00 C ATOM 76 OE1 GLU A 9 6.711 -14.330 0.241 1.00 0.00 O ATOM 77 OE2 GLU A 9 7.669 -13.309 1.975 1.00 0.00 O ATOM 0 H GLU A 9 8.136 -9.421 0.268 1.00 0.00 H new ATOM 0 HA GLU A 9 6.866 -10.027 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.179 -12.162 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.850 -12.111 -1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.760 -11.185 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.332 -11.999 0.504 1.00 0.00 H new ATOM 82 N ILE A 10 4.767 -9.079 -1.491 1.00 0.00 N ATOM 83 CA ILE A 10 3.559 -8.406 -1.043 1.00 0.00 C ATOM 84 C ILE A 10 2.698 -9.389 -0.248 1.00 0.00 C ATOM 85 O ILE A 10 2.184 -10.359 -0.804 1.00 0.00 O ATOM 86 CB ILE A 10 2.832 -7.767 -2.227 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.502 -6.454 -2.639 1.00 0.00 C ATOM 88 CG2 ILE A 10 1.345 -7.580 -1.921 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.208 -5.346 -1.625 1.00 0.00 C ATOM 0 H ILE A 10 4.836 -9.204 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 10 3.807 -7.584 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 10 2.903 -8.445 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.579 -6.601 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.146 -6.154 -3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.851 -7.124 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.891 -8.549 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.231 -6.933 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.696 -4.424 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.132 -5.185 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.587 -5.639 -0.646 1.00 0.00 H new ATOM 100 N ILE A 11 2.564 -9.103 1.039 1.00 0.00 N ATOM 101 CA ILE A 11 1.772 -9.950 1.914 1.00 0.00 C ATOM 102 C ILE A 11 0.567 -9.158 2.429 1.00 0.00 C ATOM 103 O ILE A 11 0.473 -7.952 2.211 1.00 0.00 O ATOM 104 CB ILE A 11 2.644 -10.534 3.027 1.00 0.00 C ATOM 105 CG1 ILE A 11 3.038 -9.457 4.039 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.867 -11.248 2.446 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.912 -9.215 5.047 1.00 0.00 C ATOM 0 H ILE A 11 2.990 -8.297 1.496 1.00 0.00 H new ATOM 0 HA ILE A 11 1.381 -10.806 1.364 1.00 0.00 H new ATOM 0 HB ILE A 11 2.058 -11.280 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.943 -9.761 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.269 -8.529 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.471 -11.654 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.540 -12.059 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.463 -10.539 1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.217 -8.445 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.016 -8.888 4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.700 -10.139 5.585 1.00 0.00 H new ATOM 118 N GLU A 12 -0.323 -9.871 3.104 1.00 0.00 N ATOM 119 CA GLU A 12 -1.517 -9.251 3.651 1.00 0.00 C ATOM 120 C GLU A 12 -1.163 -8.407 4.877 1.00 0.00 C ATOM 121 O GLU A 12 -0.563 -8.908 5.827 1.00 0.00 O ATOM 122 CB GLU A 12 -2.573 -10.302 3.997 1.00 0.00 C ATOM 123 CG GLU A 12 -2.995 -11.085 2.751 1.00 0.00 C ATOM 124 CD GLU A 12 -3.875 -12.279 3.127 1.00 0.00 C ATOM 125 OE1 GLU A 12 -4.780 -12.076 3.965 1.00 0.00 O ATOM 126 OE2 GLU A 12 -3.624 -13.368 2.567 1.00 0.00 O ATOM 0 H GLU A 12 -0.241 -10.872 3.284 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.941 -8.594 2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.177 -10.988 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.444 -9.817 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.538 -10.428 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.110 -11.434 2.219 1.00 0.00 H new ATOM 131 N GLY A 13 -1.549 -7.140 4.817 1.00 0.00 N ATOM 132 CA GLY A 13 -1.279 -6.223 5.910 1.00 0.00 C ATOM 133 C GLY A 13 -0.386 -5.069 5.450 1.00 0.00 C ATOM 134 O GLY A 13 -0.482 -3.959 5.971 1.00 0.00 O ATOM 0 H GLY A 13 -2.047 -6.728 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.218 -5.828 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.796 -6.758 6.727 1.00 0.00 H new ATOM 138 N CYS A 14 0.463 -5.371 4.478 1.00 0.00 N ATOM 139 CA CYS A 14 1.372 -4.373 3.942 1.00 0.00 C ATOM 140 C CYS A 14 0.563 -3.123 3.594 1.00 0.00 C ATOM 141 O CYS A 14 -0.514 -3.219 3.007 1.00 0.00 O ATOM 142 CB CYS A 14 2.148 -4.905 2.734 1.00 0.00 C ATOM 143 SG CYS A 14 3.536 -5.957 3.295 1.00 0.00 S ATOM 0 H CYS A 14 0.540 -6.293 4.048 1.00 0.00 H new ATOM 0 HA CYS A 14 2.122 -4.122 4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.483 -5.479 2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.528 -4.073 2.141 1.00 0.00 H new ATOM 0 HG CYS A 14 4.489 -5.206 3.762 1.00 0.00 H new ATOM 148 N ARG A 15 1.112 -1.977 3.972 1.00 0.00 N ATOM 149 CA ARG A 15 0.454 -0.709 3.709 1.00 0.00 C ATOM 150 C ARG A 15 1.272 0.117 2.714 1.00 0.00 C ATOM 151 O ARG A 15 2.444 0.404 2.955 1.00 0.00 O ATOM 152 CB ARG A 15 0.269 0.094 4.998 1.00 0.00 C ATOM 153 CG ARG A 15 -1.111 -0.157 5.608 1.00 0.00 C ATOM 154 CD ARG A 15 -1.574 1.045 6.433 1.00 0.00 C ATOM 155 NE ARG A 15 -2.050 0.595 7.760 1.00 0.00 N ATOM 156 CZ ARG A 15 -1.254 0.087 8.711 1.00 0.00 C ATOM 157 NH1 ARG A 15 0.062 -0.038 8.488 1.00 0.00 N ATOM 158 NH2 ARG A 15 -1.773 -0.295 9.886 1.00 0.00 N ATOM 0 H ARG A 15 2.005 -1.901 4.458 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.527 -0.926 3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.043 -0.180 5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.390 1.157 4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.832 -0.357 4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.077 -1.045 6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.753 1.752 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.373 1.570 5.910 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.046 0.677 7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.458 0.254 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.667 -0.425 9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.774 -0.199 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.167 -0.682 10.610 1.00 0.00 H new ATOM 169 N LEU A 16 0.623 0.475 1.616 1.00 0.00 N ATOM 170 CA LEU A 16 1.276 1.262 0.584 1.00 0.00 C ATOM 171 C LEU A 16 0.237 2.142 -0.115 1.00 0.00 C ATOM 172 O LEU A 16 -0.948 1.814 -0.134 1.00 0.00 O ATOM 173 CB LEU A 16 2.054 0.354 -0.371 1.00 0.00 C ATOM 174 CG LEU A 16 1.595 -1.104 -0.433 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.069 -1.202 -0.382 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.174 -1.810 -1.661 1.00 0.00 C ATOM 0 H LEU A 16 -0.348 0.235 1.419 1.00 0.00 H new ATOM 0 HA LEU A 16 2.015 1.930 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.992 0.777 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.105 0.371 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 16 1.980 -1.620 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.230 -2.249 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.293 -0.761 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.359 -0.665 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.832 -2.845 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.840 -1.300 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.263 -1.789 -1.613 1.00 0.00 H new ATOM 187 N PRO A 17 0.732 3.272 -0.686 1.00 0.00 N ATOM 188 CA PRO A 17 -0.140 4.202 -1.384 1.00 0.00 C ATOM 189 C PRO A 17 -0.549 3.649 -2.750 1.00 0.00 C ATOM 190 O PRO A 17 0.287 3.500 -3.640 1.00 0.00 O ATOM 191 CB PRO A 17 0.658 5.492 -1.480 1.00 0.00 C ATOM 192 CG PRO A 17 2.109 5.104 -1.251 1.00 0.00 C ATOM 193 CD PRO A 17 2.130 3.695 -0.684 1.00 0.00 C ATOM 0 HA PRO A 17 -1.082 4.370 -0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.528 5.959 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.325 6.214 -0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.668 5.148 -2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.586 5.800 -0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.745 3.032 -1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.547 3.680 0.323 1.00 0.00 H new ATOM 198 N VAL A 18 -1.836 3.361 -2.874 1.00 0.00 N ATOM 199 CA VAL A 18 -2.367 2.828 -4.118 1.00 0.00 C ATOM 200 C VAL A 18 -2.848 3.982 -4.999 1.00 0.00 C ATOM 201 O VAL A 18 -3.873 4.600 -4.715 1.00 0.00 O ATOM 202 CB VAL A 18 -3.466 1.804 -3.821 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.182 1.382 -5.105 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.899 0.590 -3.084 1.00 0.00 C ATOM 0 H VAL A 18 -2.527 3.486 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.589 2.301 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.200 2.278 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.958 0.654 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.635 2.256 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.464 0.935 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.700 -0.122 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.136 0.114 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.456 0.911 -2.141 1.00 0.00 H new ATOM 214 N LEU A 19 -2.084 4.239 -6.051 1.00 0.00 N ATOM 215 CA LEU A 19 -2.418 5.309 -6.975 1.00 0.00 C ATOM 216 C LEU A 19 -3.931 5.325 -7.204 1.00 0.00 C ATOM 217 O LEU A 19 -4.582 4.283 -7.145 1.00 0.00 O ATOM 218 CB LEU A 19 -1.603 5.179 -8.263 1.00 0.00 C ATOM 219 CG LEU A 19 -1.942 6.174 -9.375 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.158 7.476 -9.203 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.721 5.550 -10.754 1.00 0.00 C ATOM 0 H LEU A 19 -1.235 3.724 -6.284 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.148 6.276 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.547 5.289 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.735 4.170 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.000 6.423 -9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.417 8.166 -10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.408 7.927 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.089 7.264 -9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.969 6.278 -11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.677 5.254 -10.856 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.359 4.673 -10.863 1.00 0.00 H new ATOM 232 N ARG A 20 -4.447 6.518 -7.461 1.00 0.00 N ATOM 233 CA ARG A 20 -5.871 6.683 -7.699 1.00 0.00 C ATOM 234 C ARG A 20 -6.150 8.054 -8.317 1.00 0.00 C ATOM 235 O ARG A 20 -6.045 9.077 -7.641 1.00 0.00 O ATOM 236 CB ARG A 20 -6.666 6.544 -6.400 1.00 0.00 C ATOM 237 CG ARG A 20 -8.097 7.056 -6.576 1.00 0.00 C ATOM 238 CD ARG A 20 -8.857 6.215 -7.604 1.00 0.00 C ATOM 239 NE ARG A 20 -9.896 7.038 -8.262 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.990 7.502 -7.644 1.00 0.00 C ATOM 241 NH1 ARG A 20 -11.194 7.230 -6.348 1.00 0.00 N ATOM 242 NH2 ARG A 20 -11.879 8.242 -8.321 1.00 0.00 N ATOM 0 H ARG A 20 -3.904 7.380 -7.510 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.185 5.900 -8.389 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.685 5.499 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.171 7.102 -5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.618 7.026 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.078 8.098 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.165 5.824 -8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.317 5.356 -7.115 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.771 7.266 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.516 6.669 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.027 7.584 -5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.722 8.452 -9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.712 8.595 -7.850 1.00 0.00 H new ATOM 253 N ARG A 21 -6.500 8.032 -9.595 1.00 0.00 N ATOM 254 CA ARG A 21 -6.796 9.261 -10.311 1.00 0.00 C ATOM 255 C ARG A 21 -8.244 9.686 -10.062 1.00 0.00 C ATOM 256 O ARG A 21 -9.170 9.114 -10.637 1.00 0.00 O ATOM 257 CB ARG A 21 -6.573 9.089 -11.815 1.00 0.00 C ATOM 258 CG ARG A 21 -5.106 9.318 -12.183 1.00 0.00 C ATOM 259 CD ARG A 21 -4.949 9.568 -13.683 1.00 0.00 C ATOM 260 NE ARG A 21 -3.801 8.796 -14.208 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.223 9.023 -15.395 1.00 0.00 C ATOM 262 NH1 ARG A 21 -3.680 10.001 -16.187 1.00 0.00 N ATOM 263 NH2 ARG A 21 -2.185 8.272 -15.790 1.00 0.00 N ATOM 0 H ARG A 21 -6.585 7.182 -10.153 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.120 10.031 -9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.875 8.087 -12.118 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.202 9.791 -12.362 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.717 10.170 -11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.515 8.450 -11.892 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.861 9.279 -14.205 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.798 10.631 -13.869 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.426 8.044 -13.630 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.469 10.574 -15.887 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.239 10.173 -17.091 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.835 7.528 -15.187 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.745 8.445 -16.694 1.00 0.00 H new ATOM 274 N ASN A 22 -8.395 10.684 -9.205 1.00 0.00 N ATOM 275 CA ASN A 22 -9.716 11.192 -8.873 1.00 0.00 C ATOM 276 C ASN A 22 -10.328 11.857 -10.108 1.00 0.00 C ATOM 277 O ASN A 22 -9.694 11.919 -11.161 1.00 0.00 O ATOM 278 CB ASN A 22 -9.639 12.240 -7.761 1.00 0.00 C ATOM 279 CG ASN A 22 -8.469 13.201 -7.992 1.00 0.00 C ATOM 280 OD1 ASN A 22 -8.434 13.957 -8.949 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.519 13.128 -7.065 1.00 0.00 N ATOM 0 H ASN A 22 -7.625 11.155 -8.730 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.325 10.353 -8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.573 12.801 -7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.522 11.745 -6.797 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.697 13.728 -7.129 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.612 12.472 -6.290 1.00 0.00 H new ATOM 287 N GLN A 23 -11.550 12.337 -9.937 1.00 0.00 N ATOM 288 CA GLN A 23 -12.255 12.994 -11.025 1.00 0.00 C ATOM 289 C GLN A 23 -11.336 13.999 -11.721 1.00 0.00 C ATOM 290 O GLN A 23 -11.096 13.897 -12.923 1.00 0.00 O ATOM 291 CB GLN A 23 -13.529 13.673 -10.521 1.00 0.00 C ATOM 292 CG GLN A 23 -14.476 13.992 -11.681 1.00 0.00 C ATOM 293 CD GLN A 23 -15.692 14.783 -11.193 1.00 0.00 C ATOM 294 OE1 GLN A 23 -15.611 15.952 -10.856 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.822 14.080 -11.177 1.00 0.00 N ATOM 0 H GLN A 23 -12.071 12.284 -9.061 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.550 12.237 -11.752 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.032 13.024 -9.804 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.272 14.592 -9.994 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -13.946 14.565 -12.441 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.805 13.066 -12.152 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.820 13.104 -11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.690 14.517 -10.869 1.00 0.00 H new ATOM 302 N ASP A 24 -10.846 14.947 -10.936 1.00 0.00 N ATOM 303 CA ASP A 24 -9.959 15.971 -11.462 1.00 0.00 C ATOM 304 C ASP A 24 -8.884 15.311 -12.328 1.00 0.00 C ATOM 305 O ASP A 24 -8.330 15.945 -13.225 1.00 0.00 O ATOM 306 CB ASP A 24 -9.257 16.725 -10.331 1.00 0.00 C ATOM 307 CG ASP A 24 -10.109 17.789 -9.637 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.031 17.383 -8.895 1.00 0.00 O ATOM 309 OD2 ASP A 24 -9.821 18.984 -9.863 1.00 0.00 O ATOM 0 H ASP A 24 -11.046 15.028 -9.939 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.559 16.671 -12.044 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.925 16.003 -9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.363 17.202 -10.733 1.00 0.00 H new ATOM 313 N ASN A 25 -8.621 14.048 -12.030 1.00 0.00 N ATOM 314 CA ASN A 25 -7.623 13.296 -12.771 1.00 0.00 C ATOM 315 C ASN A 25 -6.235 13.610 -12.211 1.00 0.00 C ATOM 316 O ASN A 25 -5.269 13.724 -12.963 1.00 0.00 O ATOM 317 CB ASN A 25 -7.633 13.678 -14.252 1.00 0.00 C ATOM 318 CG ASN A 25 -7.211 12.494 -15.126 1.00 0.00 C ATOM 319 OD1 ASN A 25 -6.050 12.126 -15.198 1.00 0.00 O ATOM 320 ND2 ASN A 25 -8.215 11.922 -15.784 1.00 0.00 N ATOM 0 H ASN A 25 -9.082 13.526 -11.285 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.856 12.236 -12.671 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.631 14.009 -14.539 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.958 14.517 -14.419 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.036 11.125 -16.394 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.164 12.281 -15.678 1.00 0.00 H new ATOM 326 N GLU A 26 -6.179 13.742 -10.893 1.00 0.00 N ATOM 327 CA GLU A 26 -4.925 14.041 -10.224 1.00 0.00 C ATOM 328 C GLU A 26 -4.362 12.781 -9.563 1.00 0.00 C ATOM 329 O GLU A 26 -4.782 12.411 -8.467 1.00 0.00 O ATOM 330 CB GLU A 26 -5.105 15.164 -9.201 1.00 0.00 C ATOM 331 CG GLU A 26 -5.615 16.442 -9.871 1.00 0.00 C ATOM 332 CD GLU A 26 -5.437 17.652 -8.953 1.00 0.00 C ATOM 333 OE1 GLU A 26 -6.178 17.715 -7.947 1.00 0.00 O ATOM 334 OE2 GLU A 26 -4.565 18.486 -9.275 1.00 0.00 O ATOM 0 H GLU A 26 -6.982 13.647 -10.271 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.210 14.385 -10.971 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.808 14.849 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.155 15.364 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.077 16.607 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.668 16.327 -10.127 1.00 0.00 H new ATOM 339 N ASP A 27 -3.421 12.158 -10.256 1.00 0.00 N ATOM 340 CA ASP A 27 -2.797 10.948 -9.749 1.00 0.00 C ATOM 341 C ASP A 27 -2.556 11.093 -8.245 1.00 0.00 C ATOM 342 O ASP A 27 -1.574 11.703 -7.826 1.00 0.00 O ATOM 343 CB ASP A 27 -1.445 10.702 -10.422 1.00 0.00 C ATOM 344 CG ASP A 27 -1.518 10.018 -11.789 1.00 0.00 C ATOM 345 OD1 ASP A 27 -2.448 9.203 -11.967 1.00 0.00 O ATOM 346 OD2 ASP A 27 -0.640 10.326 -12.625 1.00 0.00 O ATOM 0 H ASP A 27 -3.075 12.468 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.464 10.112 -9.961 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.934 11.658 -10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.832 10.091 -9.759 1.00 0.00 H new ATOM 350 N GLU A 28 -3.471 10.523 -7.474 1.00 0.00 N ATOM 351 CA GLU A 28 -3.372 10.582 -6.026 1.00 0.00 C ATOM 352 C GLU A 28 -2.606 9.367 -5.497 1.00 0.00 C ATOM 353 O GLU A 28 -2.338 8.425 -6.241 1.00 0.00 O ATOM 354 CB GLU A 28 -4.757 10.679 -5.384 1.00 0.00 C ATOM 355 CG GLU A 28 -4.651 11.058 -3.906 1.00 0.00 C ATOM 356 CD GLU A 28 -5.888 11.834 -3.449 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.939 11.661 -4.102 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.754 12.583 -2.458 1.00 0.00 O ATOM 0 H GLU A 28 -4.285 10.018 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.820 11.482 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.355 11.422 -5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.275 9.725 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.539 10.157 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.758 11.662 -3.745 1.00 0.00 H new ATOM 363 N TRP A 29 -2.274 9.429 -4.215 1.00 0.00 N ATOM 364 CA TRP A 29 -1.545 8.346 -3.578 1.00 0.00 C ATOM 365 C TRP A 29 -2.105 8.166 -2.166 1.00 0.00 C ATOM 366 O TRP A 29 -1.402 8.394 -1.182 1.00 0.00 O ATOM 367 CB TRP A 29 -0.039 8.614 -3.596 1.00 0.00 C ATOM 368 CG TRP A 29 0.579 8.602 -4.995 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.835 9.647 -5.793 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.013 7.440 -5.733 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.398 9.246 -6.987 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.511 7.862 -6.949 1.00 0.00 C ATOM 373 CE3 TRP A 29 0.986 6.078 -5.385 1.00 0.00 C ATOM 374 CZ2 TRP A 29 2.018 6.984 -7.915 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.497 5.215 -6.360 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.001 5.623 -7.590 1.00 0.00 C ATOM 0 H TRP A 29 -2.497 10.212 -3.601 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.680 7.414 -4.127 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.153 9.582 -3.134 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.460 7.864 -2.983 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.627 10.675 -5.534 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.679 9.854 -7.756 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.601 5.726 -4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.402 7.338 -8.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.500 4.157 -6.142 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.378 4.893 -8.291 1.00 0.00 H new ATOM 386 N PRO A 30 -3.397 7.747 -2.108 1.00 0.00 N ATOM 387 CA PRO A 30 -4.059 7.535 -0.833 1.00 0.00 C ATOM 388 C PRO A 30 -3.575 6.242 -0.173 1.00 0.00 C ATOM 389 O PRO A 30 -3.619 5.175 -0.783 1.00 0.00 O ATOM 390 CB PRO A 30 -5.544 7.517 -1.157 1.00 0.00 C ATOM 391 CG PRO A 30 -5.641 7.255 -2.651 1.00 0.00 C ATOM 392 CD PRO A 30 -4.260 7.468 -3.252 1.00 0.00 C ATOM 0 HA PRO A 30 -3.834 8.317 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.058 6.741 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.012 8.466 -0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.986 6.238 -2.839 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.365 7.928 -3.110 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.924 6.585 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.260 8.297 -3.960 1.00 0.00 H new ATOM 397 N LEU A 31 -3.125 6.379 1.066 1.00 0.00 N ATOM 398 CA LEU A 31 -2.633 5.235 1.815 1.00 0.00 C ATOM 399 C LEU A 31 -3.659 4.103 1.739 1.00 0.00 C ATOM 400 O LEU A 31 -4.859 4.353 1.627 1.00 0.00 O ATOM 401 CB LEU A 31 -2.274 5.645 3.244 1.00 0.00 C ATOM 402 CG LEU A 31 -1.205 4.797 3.935 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.790 3.470 4.424 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.006 4.589 3.023 1.00 0.00 C ATOM 0 H LEU A 31 -3.091 7.265 1.570 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.709 4.859 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.935 6.681 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.181 5.615 3.848 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.855 5.338 4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.009 2.886 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.593 3.666 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.184 2.911 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.750 3.983 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.308 4.080 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.439 5.556 2.767 1.00 0.00 H new ATOM 415 N ALA A 32 -3.151 2.881 1.803 1.00 0.00 N ATOM 416 CA ALA A 32 -4.009 1.709 1.743 1.00 0.00 C ATOM 417 C ALA A 32 -3.329 0.548 2.471 1.00 0.00 C ATOM 418 O ALA A 32 -2.183 0.667 2.903 1.00 0.00 O ATOM 419 CB ALA A 32 -4.321 1.380 0.282 1.00 0.00 C ATOM 0 H ALA A 32 -2.156 2.677 1.896 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.958 1.901 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.964 0.501 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.829 2.226 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.392 1.178 -0.252 1.00 0.00 H new ATOM 425 N GLU A 33 -4.063 -0.549 2.584 1.00 0.00 N ATOM 426 CA GLU A 33 -3.546 -1.731 3.252 1.00 0.00 C ATOM 427 C GLU A 33 -3.938 -2.992 2.478 1.00 0.00 C ATOM 428 O GLU A 33 -5.081 -3.127 2.044 1.00 0.00 O ATOM 429 CB GLU A 33 -4.035 -1.801 4.700 1.00 0.00 C ATOM 430 CG GLU A 33 -3.306 -2.902 5.473 1.00 0.00 C ATOM 431 CD GLU A 33 -4.125 -3.359 6.681 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.292 -3.751 6.460 1.00 0.00 O ATOM 433 OE2 GLU A 33 -3.567 -3.307 7.798 1.00 0.00 O ATOM 0 H GLU A 33 -5.013 -0.644 2.224 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.458 -1.666 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.873 -0.840 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.108 -1.990 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.118 -3.750 4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.335 -2.536 5.805 1.00 0.00 H new ATOM 438 N ILE A 34 -2.969 -3.883 2.331 1.00 0.00 N ATOM 439 CA ILE A 34 -3.199 -5.128 1.618 1.00 0.00 C ATOM 440 C ILE A 34 -4.099 -6.034 2.460 1.00 0.00 C ATOM 441 O ILE A 34 -3.928 -6.130 3.674 1.00 0.00 O ATOM 442 CB ILE A 34 -1.867 -5.775 1.228 1.00 0.00 C ATOM 443 CG1 ILE A 34 -0.951 -4.768 0.531 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.096 -7.026 0.378 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.176 -4.778 -0.983 1.00 0.00 C ATOM 0 H ILE A 34 -2.023 -3.768 2.694 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.723 -4.940 0.681 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.360 -6.092 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.138 -3.768 0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.090 -5.006 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.135 -7.467 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.683 -7.748 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.633 -6.755 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.512 -4.053 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.965 -5.773 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.212 -4.515 -1.199 1.00 0.00 H new ATOM 456 N LEU A 35 -5.041 -6.673 1.781 1.00 0.00 N ATOM 457 CA LEU A 35 -5.969 -7.568 2.451 1.00 0.00 C ATOM 458 C LEU A 35 -5.778 -8.988 1.917 1.00 0.00 C ATOM 459 O LEU A 35 -5.722 -9.944 2.689 1.00 0.00 O ATOM 460 CB LEU A 35 -7.402 -7.049 2.320 1.00 0.00 C ATOM 461 CG LEU A 35 -7.611 -5.567 2.639 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.054 -5.144 2.360 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.188 -5.250 4.076 1.00 0.00 C ATOM 0 H LEU A 35 -5.181 -6.589 0.774 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.762 -7.600 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.742 -7.232 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.041 -7.636 2.979 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.971 -4.982 1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.175 -4.087 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.285 -5.311 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.732 -5.733 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.347 -4.190 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.783 -5.844 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.133 -5.490 4.206 1.00 0.00 H new ATOM 474 N SER A 36 -5.683 -9.082 0.598 1.00 0.00 N ATOM 475 CA SER A 36 -5.500 -10.370 -0.049 1.00 0.00 C ATOM 476 C SER A 36 -4.909 -10.173 -1.446 1.00 0.00 C ATOM 477 O SER A 36 -5.218 -9.194 -2.123 1.00 0.00 O ATOM 478 CB SER A 36 -6.821 -11.137 -0.134 1.00 0.00 C ATOM 479 OG SER A 36 -6.645 -12.531 0.104 1.00 0.00 O ATOM 0 H SER A 36 -5.729 -8.287 -0.040 1.00 0.00 H new ATOM 0 HA SER A 36 -4.808 -10.960 0.552 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.524 -10.731 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.263 -10.990 -1.120 1.00 0.00 H new ATOM 0 HG SER A 36 -7.511 -12.985 0.043 1.00 0.00 H new ATOM 484 N VAL A 37 -4.069 -11.121 -1.838 1.00 0.00 N ATOM 485 CA VAL A 37 -3.434 -11.065 -3.143 1.00 0.00 C ATOM 486 C VAL A 37 -4.061 -12.118 -4.059 1.00 0.00 C ATOM 487 O VAL A 37 -4.798 -12.987 -3.595 1.00 0.00 O ATOM 488 CB VAL A 37 -1.919 -11.228 -2.995 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.235 -11.267 -4.363 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.331 -10.120 -2.119 1.00 0.00 C ATOM 0 H VAL A 37 -3.814 -11.932 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.600 -10.092 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.732 -12.181 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.160 -11.383 -4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.622 -12.107 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.436 -10.338 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.254 -10.260 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.535 -9.150 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.785 -10.160 -1.129 1.00 0.00 H new ATOM 500 N LYS A 38 -3.748 -12.004 -5.341 1.00 0.00 N ATOM 501 CA LYS A 38 -4.272 -12.935 -6.324 1.00 0.00 C ATOM 502 C LYS A 38 -3.374 -12.922 -7.563 1.00 0.00 C ATOM 503 O LYS A 38 -2.360 -12.227 -7.591 1.00 0.00 O ATOM 504 CB LYS A 38 -5.741 -12.625 -6.627 1.00 0.00 C ATOM 505 CG LYS A 38 -6.478 -13.877 -7.103 1.00 0.00 C ATOM 506 CD LYS A 38 -6.994 -13.699 -8.533 1.00 0.00 C ATOM 507 CE LYS A 38 -8.516 -13.855 -8.590 1.00 0.00 C ATOM 508 NZ LYS A 38 -8.926 -15.153 -8.011 1.00 0.00 N ATOM 0 H LYS A 38 -3.138 -11.281 -5.721 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.258 -13.951 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.225 -12.231 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.803 -11.850 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.809 -14.736 -7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.313 -14.088 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.712 -12.714 -8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.525 -14.434 -9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.992 -13.040 -8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.856 -13.788 -9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.768 -15.505 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.151 -15.839 -8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.147 -15.029 -7.002 1.00 0.00 H new ATOM 518 N ASP A 39 -3.779 -13.700 -8.557 1.00 0.00 N ATOM 519 CA ASP A 39 -3.022 -13.786 -9.795 1.00 0.00 C ATOM 520 C ASP A 39 -3.915 -14.366 -10.893 1.00 0.00 C ATOM 521 O ASP A 39 -4.467 -15.455 -10.738 1.00 0.00 O ATOM 522 CB ASP A 39 -1.810 -14.705 -9.636 1.00 0.00 C ATOM 523 CG ASP A 39 -1.279 -15.306 -10.939 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.580 -14.564 -11.662 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.583 -16.493 -11.183 1.00 0.00 O ATOM 0 H ASP A 39 -4.621 -14.276 -8.530 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.682 -12.783 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.007 -14.143 -9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.075 -15.518 -8.960 1.00 0.00 H new ATOM 529 N ILE A 40 -4.029 -13.614 -11.977 1.00 0.00 N ATOM 530 CA ILE A 40 -4.846 -14.040 -13.101 1.00 0.00 C ATOM 531 C ILE A 40 -4.003 -14.012 -14.377 1.00 0.00 C ATOM 532 O ILE A 40 -4.172 -13.131 -15.219 1.00 0.00 O ATOM 533 CB ILE A 40 -6.121 -13.198 -13.187 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.929 -13.294 -11.892 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.952 -13.586 -14.412 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.579 -11.950 -11.551 1.00 0.00 C ATOM 0 H ILE A 40 -3.569 -12.712 -12.101 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.180 -15.068 -12.961 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.834 -12.154 -13.310 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.699 -14.059 -11.995 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.278 -13.605 -11.075 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.852 -12.973 -14.450 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.365 -13.424 -15.316 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.231 -14.637 -14.344 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.148 -12.045 -10.626 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.805 -11.193 -11.425 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.248 -11.654 -12.359 1.00 0.00 H new ATOM 547 N SER A 41 -3.113 -14.988 -14.483 1.00 0.00 N ATOM 548 CA SER A 41 -2.244 -15.087 -15.642 1.00 0.00 C ATOM 549 C SER A 41 -1.201 -13.967 -15.612 1.00 0.00 C ATOM 550 O SER A 41 -1.030 -13.247 -16.594 1.00 0.00 O ATOM 551 CB SER A 41 -3.050 -15.027 -16.942 1.00 0.00 C ATOM 552 OG SER A 41 -2.666 -16.052 -17.855 1.00 0.00 O ATOM 0 H SER A 41 -2.975 -15.718 -13.784 1.00 0.00 H new ATOM 0 HA SER A 41 -1.735 -16.050 -15.606 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.112 -15.122 -16.715 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.910 -14.053 -17.411 1.00 0.00 H new ATOM 0 HG SER A 41 -3.204 -15.981 -18.671 1.00 0.00 H new ATOM 557 N GLY A 42 -0.533 -13.855 -14.474 1.00 0.00 N ATOM 558 CA GLY A 42 0.488 -12.836 -14.302 1.00 0.00 C ATOM 559 C GLY A 42 -0.098 -11.575 -13.661 1.00 0.00 C ATOM 560 O GLY A 42 0.605 -10.844 -12.967 1.00 0.00 O ATOM 0 H GLY A 42 -0.679 -14.454 -13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.293 -13.225 -13.679 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.925 -12.587 -15.269 1.00 0.00 H new ATOM 564 N ARG A 43 -1.380 -11.362 -13.919 1.00 0.00 N ATOM 565 CA ARG A 43 -2.069 -10.203 -13.376 1.00 0.00 C ATOM 566 C ARG A 43 -2.359 -10.406 -11.888 1.00 0.00 C ATOM 567 O ARG A 43 -3.426 -10.893 -11.520 1.00 0.00 O ATOM 568 CB ARG A 43 -3.384 -9.948 -14.114 1.00 0.00 C ATOM 569 CG ARG A 43 -3.777 -8.470 -14.042 1.00 0.00 C ATOM 570 CD ARG A 43 -4.733 -8.213 -12.876 1.00 0.00 C ATOM 571 NE ARG A 43 -5.968 -7.563 -13.368 1.00 0.00 N ATOM 572 CZ ARG A 43 -6.006 -6.341 -13.917 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.878 -5.630 -14.047 1.00 0.00 N ATOM 574 NH2 ARG A 43 -7.172 -5.831 -14.335 1.00 0.00 N ATOM 0 H ARG A 43 -1.959 -11.972 -14.496 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.418 -9.339 -13.508 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.285 -10.251 -15.156 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.174 -10.560 -13.678 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.883 -7.858 -13.926 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.249 -8.170 -14.977 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.979 -9.153 -12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.250 -7.579 -12.132 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.845 -8.077 -13.284 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.991 -6.019 -13.728 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.907 -4.700 -14.465 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.031 -6.373 -14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.201 -4.901 -14.753 1.00 0.00 H new ATOM 585 N LYS A 44 -1.388 -10.023 -11.070 1.00 0.00 N ATOM 586 CA LYS A 44 -1.524 -10.157 -9.631 1.00 0.00 C ATOM 587 C LYS A 44 -2.485 -9.085 -9.111 1.00 0.00 C ATOM 588 O LYS A 44 -2.309 -7.900 -9.392 1.00 0.00 O ATOM 589 CB LYS A 44 -0.152 -10.132 -8.957 1.00 0.00 C ATOM 590 CG LYS A 44 0.278 -11.538 -8.534 1.00 0.00 C ATOM 591 CD LYS A 44 0.611 -11.585 -7.041 1.00 0.00 C ATOM 592 CE LYS A 44 1.954 -10.909 -6.757 1.00 0.00 C ATOM 593 NZ LYS A 44 3.057 -11.891 -6.853 1.00 0.00 N ATOM 0 H LYS A 44 -0.503 -9.620 -11.378 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.958 -11.124 -9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.586 -9.713 -9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.184 -9.480 -8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.519 -12.248 -8.755 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.148 -11.846 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.177 -11.090 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.643 -12.621 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.118 -10.098 -7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.941 -10.464 -5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.962 -11.417 -6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.907 -12.651 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.078 -12.297 -7.810 1.00 0.00 H new ATOM 603 N LEU A 45 -3.480 -9.539 -8.364 1.00 0.00 N ATOM 604 CA LEU A 45 -4.468 -8.633 -7.803 1.00 0.00 C ATOM 605 C LEU A 45 -4.234 -8.499 -6.297 1.00 0.00 C ATOM 606 O LEU A 45 -3.782 -9.441 -5.648 1.00 0.00 O ATOM 607 CB LEU A 45 -5.882 -9.091 -8.166 1.00 0.00 C ATOM 608 CG LEU A 45 -6.613 -8.246 -9.213 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.620 -7.562 -10.155 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.641 -9.085 -9.974 1.00 0.00 C ATOM 0 H LEU A 45 -3.624 -10.522 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.359 -7.637 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.828 -10.117 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.482 -9.106 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.161 -7.458 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.165 -6.968 -10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.961 -6.912 -9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.026 -8.318 -10.669 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.146 -8.461 -10.711 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.136 -9.908 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.374 -9.485 -9.274 1.00 0.00 H new ATOM 621 N PHE A 46 -4.551 -7.320 -5.784 1.00 0.00 N ATOM 622 CA PHE A 46 -4.381 -7.049 -4.367 1.00 0.00 C ATOM 623 C PHE A 46 -5.529 -6.191 -3.830 1.00 0.00 C ATOM 624 O PHE A 46 -5.669 -5.029 -4.208 1.00 0.00 O ATOM 625 CB PHE A 46 -3.069 -6.277 -4.213 1.00 0.00 C ATOM 626 CG PHE A 46 -1.885 -6.911 -4.946 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.660 -6.616 -6.255 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.059 -7.767 -4.290 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.561 -7.204 -6.936 1.00 0.00 C ATOM 630 CE2 PHE A 46 0.041 -8.356 -4.971 1.00 0.00 C ATOM 631 CZ PHE A 46 0.267 -8.061 -6.280 1.00 0.00 C ATOM 0 H PHE A 46 -4.925 -6.540 -6.325 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.371 -7.985 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.211 -5.262 -4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.827 -6.199 -3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.317 -5.935 -6.776 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.238 -8.000 -3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.383 -6.971 -7.975 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.697 -9.037 -4.450 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.103 -8.507 -6.798 1.00 0.00 H new ATOM 640 N TYR A 47 -6.321 -6.798 -2.958 1.00 0.00 N ATOM 641 CA TYR A 47 -7.453 -6.104 -2.366 1.00 0.00 C ATOM 642 C TYR A 47 -6.988 -5.107 -1.303 1.00 0.00 C ATOM 643 O TYR A 47 -6.778 -5.476 -0.149 1.00 0.00 O ATOM 644 CB TYR A 47 -8.305 -7.184 -1.697 1.00 0.00 C ATOM 645 CG TYR A 47 -9.740 -6.746 -1.395 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.464 -6.053 -2.344 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.310 -7.042 -0.174 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.814 -5.640 -2.061 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.660 -6.630 0.110 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.345 -5.949 -0.848 1.00 0.00 C ATOM 651 OH TYR A 47 -13.620 -5.559 -0.580 1.00 0.00 O ATOM 0 H TYR A 47 -6.202 -7.762 -2.647 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.003 -5.548 -3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.332 -8.062 -2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.825 -7.487 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.018 -5.820 -3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.743 -7.583 0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.391 -5.097 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.118 -6.856 1.061 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.868 -5.849 0.323 1.00 0.00 H new ATOM 660 N VAL A 48 -6.843 -3.861 -1.731 1.00 0.00 N ATOM 661 CA VAL A 48 -6.408 -2.807 -0.830 1.00 0.00 C ATOM 662 C VAL A 48 -7.631 -2.065 -0.291 1.00 0.00 C ATOM 663 O VAL A 48 -8.725 -2.180 -0.842 1.00 0.00 O ATOM 664 CB VAL A 48 -5.417 -1.885 -1.544 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.252 -2.683 -2.133 1.00 0.00 C ATOM 666 CG2 VAL A 48 -6.118 -1.059 -2.625 1.00 0.00 C ATOM 0 H VAL A 48 -7.019 -3.558 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.881 -3.230 0.026 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.010 -1.194 -0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.563 -2.004 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.728 -3.206 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.634 -3.408 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.392 -0.412 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.566 -1.727 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.897 -0.448 -2.168 1.00 0.00 H new ATOM 676 N HIS A 49 -7.408 -1.322 0.783 1.00 0.00 N ATOM 677 CA HIS A 49 -8.479 -0.562 1.403 1.00 0.00 C ATOM 678 C HIS A 49 -8.052 0.900 1.552 1.00 0.00 C ATOM 679 O HIS A 49 -7.083 1.200 2.247 1.00 0.00 O ATOM 680 CB HIS A 49 -8.896 -1.195 2.733 1.00 0.00 C ATOM 681 CG HIS A 49 -10.167 -0.624 3.314 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.410 -1.189 3.098 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.372 0.467 4.106 1.00 0.00 C ATOM 684 CE1 HIS A 49 -12.317 -0.463 3.735 1.00 0.00 C ATOM 685 NE2 HIS A 49 -11.671 0.564 4.359 1.00 0.00 N ATOM 0 H HIS A 49 -6.501 -1.230 1.240 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.361 -0.584 0.764 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.025 -2.268 2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.089 -1.065 3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.607 1.138 4.466 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -13.380 -0.651 3.756 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -12.113 1.287 4.926 1.00 0.00 H new ATOM 692 N TYR A 50 -8.798 1.771 0.887 1.00 0.00 N ATOM 693 CA TYR A 50 -8.509 3.194 0.936 1.00 0.00 C ATOM 694 C TYR A 50 -8.745 3.754 2.341 1.00 0.00 C ATOM 695 O TYR A 50 -9.882 3.815 2.805 1.00 0.00 O ATOM 696 CB TYR A 50 -9.488 3.857 -0.035 1.00 0.00 C ATOM 697 CG TYR A 50 -9.050 3.795 -1.499 1.00 0.00 C ATOM 698 CD1 TYR A 50 -8.306 2.724 -1.953 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.399 4.810 -2.367 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.894 2.667 -3.331 1.00 0.00 C ATOM 701 CE2 TYR A 50 -8.987 4.752 -3.745 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.255 3.684 -4.160 1.00 0.00 C ATOM 703 OH TYR A 50 -7.865 3.628 -5.461 1.00 0.00 O ATOM 0 H TYR A 50 -9.602 1.518 0.312 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.468 3.383 0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.462 3.377 0.063 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.617 4.901 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -8.033 1.929 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.981 5.648 -2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.311 1.835 -3.699 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.254 5.540 -4.434 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.412 2.970 -5.939 1.00 0.00 H new ATOM 712 N ILE A 51 -7.652 4.146 2.978 1.00 0.00 N ATOM 713 CA ILE A 51 -7.725 4.698 4.320 1.00 0.00 C ATOM 714 C ILE A 51 -7.799 6.225 4.236 1.00 0.00 C ATOM 715 O ILE A 51 -6.867 6.917 4.639 1.00 0.00 O ATOM 716 CB ILE A 51 -6.564 4.185 5.175 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.901 2.969 4.526 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.023 3.894 6.605 1.00 0.00 C ATOM 719 CD1 ILE A 51 -5.045 2.205 5.538 1.00 0.00 C ATOM 0 H ILE A 51 -6.710 4.092 2.590 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.633 4.361 4.821 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.809 4.969 5.233 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.666 2.308 4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.281 3.292 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.179 3.531 7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.411 4.807 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.806 3.136 6.589 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.585 1.345 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.266 2.862 5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.673 1.863 6.361 1.00 0.00 H new ATOM 844 N GLU A 59 -11.400 -2.340 -2.546 1.00 0.00 N ATOM 845 CA GLU A 59 -11.363 -2.509 -3.989 1.00 0.00 C ATOM 846 C GLU A 59 -10.053 -3.178 -4.411 1.00 0.00 C ATOM 847 O GLU A 59 -9.017 -2.974 -3.781 1.00 0.00 O ATOM 848 CB GLU A 59 -11.551 -1.170 -4.704 1.00 0.00 C ATOM 849 CG GLU A 59 -10.327 -0.272 -4.515 1.00 0.00 C ATOM 850 CD GLU A 59 -10.595 1.138 -5.044 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.411 1.839 -4.405 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.980 1.485 -6.075 1.00 0.00 O ATOM 0 HA GLU A 59 -12.190 -3.157 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.720 -1.342 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.438 -0.668 -4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.066 -0.224 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.471 -0.703 -5.035 1.00 0.00 H new ATOM 857 N TRP A 60 -10.142 -3.962 -5.476 1.00 0.00 N ATOM 858 CA TRP A 60 -8.977 -4.661 -5.991 1.00 0.00 C ATOM 859 C TRP A 60 -8.143 -3.661 -6.793 1.00 0.00 C ATOM 860 O TRP A 60 -8.684 -2.729 -7.386 1.00 0.00 O ATOM 861 CB TRP A 60 -9.390 -5.887 -6.807 1.00 0.00 C ATOM 862 CG TRP A 60 -10.070 -6.983 -5.984 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.370 -7.099 -5.679 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.429 -8.120 -5.368 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.612 -8.223 -4.915 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.394 -8.863 -4.720 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.077 -8.507 -5.360 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.112 -10.039 -4.015 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -7.811 -9.684 -4.651 1.00 0.00 C ATOM 870 CH2 TRP A 60 -8.772 -10.445 -3.993 1.00 0.00 C ATOM 0 H TRP A 60 -11.003 -4.128 -5.996 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.366 -5.048 -5.175 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.066 -5.571 -7.601 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.506 -6.305 -7.289 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.132 -6.401 -5.992 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.518 -8.528 -4.559 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.306 -7.941 -5.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -10.886 -10.603 -3.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -6.787 -10.026 -4.612 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.486 -11.344 -3.468 1.00 0.00 H new ATOM 880 N VAL A 61 -6.837 -3.890 -6.788 1.00 0.00 N ATOM 881 CA VAL A 61 -5.923 -3.021 -7.508 1.00 0.00 C ATOM 882 C VAL A 61 -4.816 -3.866 -8.143 1.00 0.00 C ATOM 883 O VAL A 61 -4.820 -5.091 -8.023 1.00 0.00 O ATOM 884 CB VAL A 61 -5.384 -1.937 -6.573 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.520 -1.057 -6.043 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.585 -2.552 -5.423 1.00 0.00 C ATOM 0 H VAL A 61 -6.391 -4.665 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.443 -2.506 -8.315 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.709 -1.303 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.111 -0.294 -5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.029 -0.577 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.230 -1.673 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.213 -1.759 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.228 -3.220 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.743 -3.116 -5.825 1.00 0.00 H new ATOM 896 N THR A 62 -3.896 -3.179 -8.803 1.00 0.00 N ATOM 897 CA THR A 62 -2.785 -3.852 -9.456 1.00 0.00 C ATOM 898 C THR A 62 -1.464 -3.475 -8.784 1.00 0.00 C ATOM 899 O THR A 62 -1.440 -2.650 -7.872 1.00 0.00 O ATOM 900 CB THR A 62 -2.831 -3.503 -10.946 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.812 -2.079 -10.970 1.00 0.00 O ATOM 902 CG2 THR A 62 -4.169 -3.870 -11.591 1.00 0.00 C ATOM 0 H THR A 62 -3.896 -2.164 -8.900 1.00 0.00 H new ATOM 0 HA THR A 62 -2.865 -4.935 -9.358 1.00 0.00 H new ATOM 0 HB THR A 62 -2.024 -4.020 -11.465 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.838 -1.767 -11.899 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.149 -3.602 -12.647 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.339 -4.942 -11.492 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.973 -3.328 -11.094 1.00 0.00 H new ATOM 910 N HIS A 63 -0.396 -4.096 -9.262 1.00 0.00 N ATOM 911 CA HIS A 63 0.927 -3.835 -8.719 1.00 0.00 C ATOM 912 C HIS A 63 1.448 -2.501 -9.256 1.00 0.00 C ATOM 913 O HIS A 63 2.424 -1.958 -8.740 1.00 0.00 O ATOM 914 CB HIS A 63 1.873 -5.002 -9.010 1.00 0.00 C ATOM 915 CG HIS A 63 3.330 -4.687 -8.767 1.00 0.00 C ATOM 916 ND1 HIS A 63 3.921 -3.830 -7.886 1.00 0.00 N flip ATOM 917 CD2 HIS A 63 4.355 -5.284 -9.480 1.00 0.00 C flip ATOM 918 CE1 HIS A 63 5.237 -3.902 -8.050 1.00 0.00 C flip ATOM 919 NE2 HIS A 63 5.508 -4.802 -9.038 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.419 -4.779 -10.019 1.00 0.00 H new ATOM 0 HA HIS A 63 0.869 -3.752 -7.634 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.587 -5.851 -8.390 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.746 -5.309 -10.048 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.236 -6.018 -10.263 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.972 -3.340 -7.493 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.435 -5.059 -9.377 1.00 0.00 H new ATOM 926 N GLU A 64 0.774 -2.011 -10.286 1.00 0.00 N ATOM 927 CA GLU A 64 1.158 -0.750 -10.898 1.00 0.00 C ATOM 928 C GLU A 64 0.897 0.409 -9.935 1.00 0.00 C ATOM 929 O GLU A 64 1.612 1.411 -9.955 1.00 0.00 O ATOM 930 CB GLU A 64 0.421 -0.538 -12.223 1.00 0.00 C ATOM 931 CG GLU A 64 1.154 0.478 -13.102 1.00 0.00 C ATOM 932 CD GLU A 64 0.713 0.359 -14.562 1.00 0.00 C ATOM 933 OE1 GLU A 64 0.909 -0.738 -15.127 1.00 0.00 O ATOM 934 OE2 GLU A 64 0.189 1.369 -15.079 1.00 0.00 O ATOM 0 H GLU A 64 -0.035 -2.464 -10.712 1.00 0.00 H new ATOM 0 HA GLU A 64 2.226 -0.783 -11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.336 -1.487 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.593 -0.190 -12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.956 1.487 -12.740 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.230 0.318 -13.029 1.00 0.00 H new ATOM 939 N ARG A 65 -0.128 0.236 -9.114 1.00 0.00 N ATOM 940 CA ARG A 65 -0.491 1.256 -8.144 1.00 0.00 C ATOM 941 C ARG A 65 0.269 1.038 -6.835 1.00 0.00 C ATOM 942 O ARG A 65 0.537 1.989 -6.102 1.00 0.00 O ATOM 943 CB ARG A 65 -1.994 1.236 -7.862 1.00 0.00 C ATOM 944 CG ARG A 65 -2.790 1.654 -9.099 1.00 0.00 C ATOM 945 CD ARG A 65 -4.067 0.822 -9.237 1.00 0.00 C ATOM 946 NE ARG A 65 -5.223 1.708 -9.501 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.453 1.270 -9.799 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.695 -0.045 -9.875 1.00 0.00 N ATOM 949 NH2 ARG A 65 -7.442 2.147 -10.023 1.00 0.00 N ATOM 0 H ARG A 65 -0.719 -0.595 -9.100 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.224 2.225 -8.566 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.296 0.236 -7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.221 1.908 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.046 2.711 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.174 1.532 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.956 0.103 -10.049 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.238 0.249 -8.325 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.073 2.716 -9.453 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.943 -0.713 -9.706 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.632 -0.379 -10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.258 3.149 -9.967 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.379 1.813 -10.250 1.00 0.00 H new ATOM 960 N LEU A 66 0.597 -0.221 -6.580 1.00 0.00 N ATOM 961 CA LEU A 66 1.322 -0.575 -5.371 1.00 0.00 C ATOM 962 C LEU A 66 2.699 0.090 -5.394 1.00 0.00 C ATOM 963 O LEU A 66 3.522 -0.206 -6.260 1.00 0.00 O ATOM 964 CB LEU A 66 1.377 -2.095 -5.206 1.00 0.00 C ATOM 965 CG LEU A 66 0.028 -2.801 -5.038 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.184 -4.317 -5.159 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.642 -2.396 -3.724 1.00 0.00 C ATOM 0 H LEU A 66 0.374 -1.008 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 66 0.801 -0.200 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.880 -2.517 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.995 -2.324 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.629 -2.480 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.788 -4.794 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.588 -4.564 -6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.864 -4.676 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.598 -2.911 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.002 -2.669 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.808 -1.319 -3.717 1.00 0.00 H new ATOM 978 N ASP A 67 2.908 0.977 -4.433 1.00 0.00 N ATOM 979 CA ASP A 67 4.172 1.688 -4.332 1.00 0.00 C ATOM 980 C ASP A 67 5.005 1.078 -3.202 1.00 0.00 C ATOM 981 O ASP A 67 5.150 1.680 -2.139 1.00 0.00 O ATOM 982 CB ASP A 67 3.949 3.166 -4.010 1.00 0.00 C ATOM 983 CG ASP A 67 5.061 4.106 -4.482 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.091 4.164 -3.777 1.00 0.00 O ATOM 985 OD2 ASP A 67 4.855 4.743 -5.537 1.00 0.00 O ATOM 0 H ASP A 67 2.224 1.220 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 67 4.685 1.602 -5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.009 3.483 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.836 3.274 -2.931 1.00 0.00 H new ATOM 989 N LEU A 68 5.532 -0.107 -3.472 1.00 0.00 N ATOM 990 CA LEU A 68 6.347 -0.804 -2.491 1.00 0.00 C ATOM 991 C LEU A 68 7.440 0.137 -1.981 1.00 0.00 C ATOM 992 O LEU A 68 7.988 -0.070 -0.899 1.00 0.00 O ATOM 993 CB LEU A 68 6.885 -2.113 -3.074 1.00 0.00 C ATOM 994 CG LEU A 68 5.909 -2.912 -3.939 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.364 -4.367 -4.076 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.483 -2.806 -3.397 1.00 0.00 C ATOM 0 H LEU A 68 5.411 -0.602 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 68 5.744 -1.090 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.768 -1.886 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.213 -2.747 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 68 5.906 -2.480 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.653 -4.914 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.349 -4.398 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.414 -4.827 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.809 -3.383 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.450 -3.198 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.172 -1.761 -3.393 1.00 0.00 H new ATOM 1007 N LYS A 69 7.725 1.153 -2.783 1.00 0.00 N ATOM 1008 CA LYS A 69 8.742 2.126 -2.427 1.00 0.00 C ATOM 1009 C LYS A 69 8.283 2.910 -1.197 1.00 0.00 C ATOM 1010 O LYS A 69 9.062 3.655 -0.604 1.00 0.00 O ATOM 1011 CB LYS A 69 9.082 3.010 -3.628 1.00 0.00 C ATOM 1012 CG LYS A 69 9.418 2.161 -4.856 1.00 0.00 C ATOM 1013 CD LYS A 69 10.691 2.666 -5.541 1.00 0.00 C ATOM 1014 CE LYS A 69 10.607 2.485 -7.057 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.180 1.180 -7.456 1.00 0.00 N ATOM 0 H LYS A 69 7.268 1.323 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 69 9.671 1.624 -2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.239 3.664 -3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.928 3.653 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.549 1.121 -4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.586 2.189 -5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.842 3.719 -5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.555 2.126 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.568 2.546 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.144 3.292 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.115 1.073 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.178 1.136 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.651 0.413 -6.995 1.00 0.00 H new ATOM 1025 N LYS A 70 7.019 2.716 -0.849 1.00 0.00 N ATOM 1026 CA LYS A 70 6.446 3.396 0.301 1.00 0.00 C ATOM 1027 C LYS A 70 5.710 2.380 1.175 1.00 0.00 C ATOM 1028 O LYS A 70 4.929 2.756 2.046 1.00 0.00 O ATOM 1029 CB LYS A 70 5.571 4.567 -0.151 1.00 0.00 C ATOM 1030 CG LYS A 70 6.429 5.745 -0.617 1.00 0.00 C ATOM 1031 CD LYS A 70 5.601 7.030 -0.697 1.00 0.00 C ATOM 1032 CE LYS A 70 6.177 7.990 -1.738 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.178 9.376 -1.222 1.00 0.00 N ATOM 0 H LYS A 70 6.376 2.098 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 70 7.233 3.834 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.917 4.245 -0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.928 4.883 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.262 5.887 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.858 5.523 -1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.570 6.787 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.581 7.515 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.193 7.691 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.589 7.937 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.572 10.014 -1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.204 9.664 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.758 9.425 -0.360 1.00 0.00 H new ATOM 1043 N ILE A 71 5.985 1.111 0.911 1.00 0.00 N ATOM 1044 CA ILE A 71 5.359 0.036 1.663 1.00 0.00 C ATOM 1045 C ILE A 71 5.636 0.234 3.154 1.00 0.00 C ATOM 1046 O ILE A 71 6.580 0.931 3.526 1.00 0.00 O ATOM 1047 CB ILE A 71 5.809 -1.325 1.129 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.605 -2.196 0.763 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.741 -2.022 2.122 1.00 0.00 C ATOM 1050 CD1 ILE A 71 5.040 -3.628 0.449 1.00 0.00 C ATOM 0 H ILE A 71 6.633 0.803 0.186 1.00 0.00 H new ATOM 0 HA ILE A 71 4.277 0.061 1.533 1.00 0.00 H new ATOM 0 HB ILE A 71 6.378 -1.162 0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.892 -2.201 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.092 -1.770 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.046 -2.987 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.623 -1.403 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.219 -2.173 3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.166 -4.226 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.735 -3.621 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.530 -4.059 1.322 1.00 0.00 H new ATOM 1061 N GLN A 72 4.798 -0.391 3.967 1.00 0.00 N ATOM 1062 CA GLN A 72 4.941 -0.291 5.410 1.00 0.00 C ATOM 1063 C GLN A 72 4.499 -1.596 6.078 1.00 0.00 C ATOM 1064 O GLN A 72 3.535 -1.609 6.842 1.00 0.00 O ATOM 1065 CB GLN A 72 4.155 0.901 5.959 1.00 0.00 C ATOM 1066 CG GLN A 72 4.902 2.212 5.708 1.00 0.00 C ATOM 1067 CD GLN A 72 4.299 3.351 6.533 1.00 0.00 C ATOM 1068 OE1 GLN A 72 4.617 3.546 7.695 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.417 4.093 5.869 1.00 0.00 N ATOM 0 H GLN A 72 4.018 -0.969 3.655 1.00 0.00 H new ATOM 0 HA GLN A 72 5.993 -0.125 5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.173 0.942 5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.990 0.771 7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.955 2.090 5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.858 2.463 4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.196 3.875 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.962 4.880 6.331 1.00 0.00 H new ATOM 1076 N PHE A 73 5.224 -2.659 5.765 1.00 0.00 N ATOM 1077 CA PHE A 73 4.919 -3.964 6.326 1.00 0.00 C ATOM 1078 C PHE A 73 4.460 -3.842 7.781 1.00 0.00 C ATOM 1079 O PHE A 73 4.838 -2.902 8.478 1.00 0.00 O ATOM 1080 CB PHE A 73 6.208 -4.786 6.277 1.00 0.00 C ATOM 1081 CG PHE A 73 6.452 -5.481 4.935 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.982 -4.783 3.895 1.00 0.00 C ATOM 1083 CD2 PHE A 73 6.140 -6.795 4.783 1.00 0.00 C ATOM 1084 CE1 PHE A 73 7.209 -5.427 2.651 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.367 -7.439 3.539 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.896 -6.741 2.498 1.00 0.00 C ATOM 0 H PHE A 73 6.022 -2.644 5.130 1.00 0.00 H new ATOM 0 HA PHE A 73 4.116 -4.434 5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.052 -4.132 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.177 -5.539 7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.230 -3.739 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.719 -7.349 5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.631 -4.873 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.120 -8.483 3.419 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.067 -7.230 1.551 1.00 0.00 H new ATOM 1095 N PRO A 74 3.632 -4.834 8.208 1.00 0.00 N ATOM 1096 CA PRO A 74 3.119 -4.846 9.567 1.00 0.00 C ATOM 1097 C PRO A 74 4.202 -5.278 10.557 1.00 0.00 C ATOM 1098 O PRO A 74 5.083 -6.066 10.216 1.00 0.00 O ATOM 1099 CB PRO A 74 1.934 -5.798 9.530 1.00 0.00 C ATOM 1100 CG PRO A 74 2.110 -6.635 8.275 1.00 0.00 C ATOM 1101 CD PRO A 74 3.164 -5.963 7.410 1.00 0.00 C ATOM 0 HA PRO A 74 2.810 -3.859 9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.911 -6.428 10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.993 -5.249 9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.417 -7.649 8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.167 -6.715 7.734 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.979 -6.647 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.744 -5.630 6.461 1.00 0.00 H new