USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 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 7 LYS NZ :NH3+ -118:sc= -0.105 (180deg=-1.91) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= -0.273 (180deg=-1.1) USER MOD Single : A 13 TYR OH : rot -110:sc= -0.615 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -9.71! K(o=-9.7!,f=-3.8) USER MOD Single : A 24 SER OG : rot 180:sc= 0.113 USER MOD Single : A 25 LYS NZ :NH3+ -125:sc= -7.86! (180deg=-8.67!) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= -0.574 (180deg=-1.91!) USER MOD Single : A 33 GLN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0813 USER MOD Single : A 38 SER OG : rot 180:sc= 0.129 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 104:sc= 0.303 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -7.98! C(o=-8!,f=-4!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.951! USER MOD Single : A 67 GLN : amide:sc= -12.4! C(o=-12!,f=-7.5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 4 -16.667 -1.143 0.210 1.00 0.00 N ATOM 66 CA GLU A 4 -15.535 -0.260 -0.190 1.00 0.00 C ATOM 67 C GLU A 4 -14.661 0.029 1.028 1.00 0.00 C ATOM 68 O GLU A 4 -14.224 1.141 1.230 1.00 0.00 O ATOM 69 CB GLU A 4 -16.087 1.055 -0.742 1.00 0.00 C ATOM 70 CG GLU A 4 -16.436 0.880 -2.221 1.00 0.00 C ATOM 71 CD GLU A 4 -17.685 1.699 -2.548 1.00 0.00 C ATOM 72 OE1 GLU A 4 -18.223 2.310 -1.638 1.00 0.00 O ATOM 73 OE2 GLU A 4 -18.084 1.704 -3.702 1.00 0.00 O ATOM 0 HA GLU A 4 -14.939 -0.756 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.973 1.354 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.351 1.850 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.602 1.204 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.610 -0.173 -2.443 1.00 0.00 H new ATOM 80 N GLU A 5 -14.399 -0.955 1.843 1.00 0.00 N ATOM 81 CA GLU A 5 -13.558 -0.719 3.041 1.00 0.00 C ATOM 82 C GLU A 5 -12.144 -0.316 2.592 1.00 0.00 C ATOM 83 O GLU A 5 -11.333 0.125 3.380 1.00 0.00 O ATOM 84 CB GLU A 5 -13.541 -2.009 3.886 1.00 0.00 C ATOM 85 CG GLU A 5 -12.139 -2.289 4.429 1.00 0.00 C ATOM 86 CD GLU A 5 -12.211 -3.388 5.490 1.00 0.00 C ATOM 87 OE1 GLU A 5 -13.273 -3.563 6.064 1.00 0.00 O ATOM 88 OE2 GLU A 5 -11.202 -4.038 5.711 1.00 0.00 O ATOM 0 H GLU A 5 -14.733 -1.912 1.728 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.959 0.091 3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.244 -1.915 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.875 -2.850 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.478 -2.595 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.716 -1.381 4.859 1.00 0.00 H new ATOM 95 N LEU A 6 -11.854 -0.455 1.329 1.00 0.00 N ATOM 96 CA LEU A 6 -10.506 -0.076 0.814 1.00 0.00 C ATOM 97 C LEU A 6 -10.446 1.429 0.690 1.00 0.00 C ATOM 98 O LEU A 6 -9.447 2.058 0.973 1.00 0.00 O ATOM 99 CB LEU A 6 -10.294 -0.724 -0.555 1.00 0.00 C ATOM 100 CG LEU A 6 -10.002 -2.223 -0.392 1.00 0.00 C ATOM 101 CD1 LEU A 6 -10.926 -2.832 0.668 1.00 0.00 C ATOM 102 CD2 LEU A 6 -10.242 -2.932 -1.724 1.00 0.00 C ATOM 0 H LEU A 6 -12.497 -0.818 0.625 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.726 -0.418 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -11.181 -0.584 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.466 -0.239 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.965 -2.348 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.708 -3.895 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -10.764 -2.332 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.964 -2.703 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.036 -3.996 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.280 -2.794 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.582 -2.513 -2.484 1.00 0.00 H new ATOM 114 N LYS A 7 -11.521 2.007 0.286 1.00 0.00 N ATOM 115 CA LYS A 7 -11.577 3.464 0.152 1.00 0.00 C ATOM 116 C LYS A 7 -10.937 4.162 1.366 1.00 0.00 C ATOM 117 O LYS A 7 -10.451 5.271 1.252 1.00 0.00 O ATOM 118 CB LYS A 7 -13.056 3.812 0.002 1.00 0.00 C ATOM 119 CG LYS A 7 -13.448 5.044 0.840 1.00 0.00 C ATOM 120 CD LYS A 7 -13.448 4.710 2.353 1.00 0.00 C ATOM 121 CE LYS A 7 -13.673 3.211 2.602 1.00 0.00 C ATOM 122 NZ LYS A 7 -13.436 2.909 4.042 1.00 0.00 N ATOM 0 H LYS A 7 -12.382 1.519 0.038 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.009 3.810 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.279 4.002 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.662 2.959 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.751 5.858 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.437 5.392 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.498 5.014 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.229 5.283 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.689 2.933 2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.999 2.622 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.643 2.242 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.207 3.788 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.292 2.486 4.453 1.00 0.00 H new ATOM 136 N GLY A 8 -10.968 3.567 2.538 1.00 0.00 N ATOM 137 CA GLY A 8 -10.399 4.283 3.718 1.00 0.00 C ATOM 138 C GLY A 8 -9.338 3.463 4.462 1.00 0.00 C ATOM 139 O GLY A 8 -8.572 4.016 5.221 1.00 0.00 O ATOM 0 H GLY A 8 -11.353 2.641 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.958 5.223 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.205 4.534 4.407 1.00 0.00 H new ATOM 143 N ILE A 9 -9.268 2.172 4.290 1.00 0.00 N ATOM 144 CA ILE A 9 -8.226 1.414 5.047 1.00 0.00 C ATOM 145 C ILE A 9 -6.871 2.091 4.834 1.00 0.00 C ATOM 146 O ILE A 9 -6.213 2.509 5.764 1.00 0.00 O ATOM 147 CB ILE A 9 -8.180 -0.045 4.588 1.00 0.00 C ATOM 148 CG1 ILE A 9 -7.970 -0.162 3.077 1.00 0.00 C ATOM 149 CG2 ILE A 9 -9.498 -0.719 4.953 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.473 -0.338 2.797 1.00 0.00 C ATOM 0 H ILE A 9 -9.867 1.619 3.677 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.472 1.418 6.109 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.339 -0.528 5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.530 -1.010 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.346 0.729 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.476 -1.760 4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.641 -0.677 6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.320 -0.203 4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.311 -0.423 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.927 0.525 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.114 -1.242 3.290 1.00 0.00 H new ATOM 162 N PHE A 10 -6.487 2.232 3.608 1.00 0.00 N ATOM 163 CA PHE A 10 -5.212 2.920 3.264 1.00 0.00 C ATOM 164 C PHE A 10 -5.066 4.150 4.147 1.00 0.00 C ATOM 165 O PHE A 10 -4.194 4.254 4.983 1.00 0.00 O ATOM 166 CB PHE A 10 -5.344 3.391 1.828 1.00 0.00 C ATOM 167 CG PHE A 10 -4.248 4.378 1.460 1.00 0.00 C ATOM 168 CD1 PHE A 10 -4.426 5.752 1.682 1.00 0.00 C ATOM 169 CD2 PHE A 10 -3.057 3.918 0.879 1.00 0.00 C ATOM 170 CE1 PHE A 10 -3.416 6.662 1.327 1.00 0.00 C ATOM 171 CE2 PHE A 10 -2.048 4.828 0.524 1.00 0.00 C ATOM 172 CZ PHE A 10 -2.226 6.202 0.749 1.00 0.00 C ATOM 0 H PHE A 10 -7.013 1.892 2.803 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.357 2.257 3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.302 2.533 1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.318 3.859 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.342 6.111 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.916 2.862 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.558 7.719 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.133 4.470 0.077 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.449 6.901 0.478 1.00 0.00 H new ATOM 182 N GLU A 11 -5.935 5.086 3.924 1.00 0.00 N ATOM 183 CA GLU A 11 -5.917 6.361 4.701 1.00 0.00 C ATOM 184 C GLU A 11 -5.659 6.075 6.186 1.00 0.00 C ATOM 185 O GLU A 11 -4.931 6.794 6.841 1.00 0.00 O ATOM 186 CB GLU A 11 -7.269 7.068 4.544 1.00 0.00 C ATOM 187 CG GLU A 11 -7.230 8.415 5.268 1.00 0.00 C ATOM 188 CD GLU A 11 -8.227 9.375 4.615 1.00 0.00 C ATOM 189 OE1 GLU A 11 -7.888 9.942 3.590 1.00 0.00 O ATOM 190 OE2 GLU A 11 -9.313 9.525 5.151 1.00 0.00 O ATOM 0 H GLU A 11 -6.674 5.026 3.224 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.119 6.999 4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.492 7.218 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.066 6.447 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.475 8.281 6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.225 8.834 5.225 1.00 0.00 H new ATOM 197 N LYS A 12 -6.244 5.037 6.727 1.00 0.00 N ATOM 198 CA LYS A 12 -6.014 4.729 8.168 1.00 0.00 C ATOM 199 C LYS A 12 -4.539 4.390 8.366 1.00 0.00 C ATOM 200 O LYS A 12 -3.907 4.834 9.303 1.00 0.00 O ATOM 201 CB LYS A 12 -6.918 3.551 8.609 1.00 0.00 C ATOM 202 CG LYS A 12 -6.117 2.244 8.771 1.00 0.00 C ATOM 203 CD LYS A 12 -5.211 2.330 10.008 1.00 0.00 C ATOM 204 CE LYS A 12 -5.689 1.330 11.063 1.00 0.00 C ATOM 205 NZ LYS A 12 -7.141 1.539 11.320 1.00 0.00 N ATOM 0 H LYS A 12 -6.866 4.395 6.237 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.268 5.593 8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.404 3.799 9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.708 3.404 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.800 1.400 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.514 2.065 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.179 2.117 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.229 3.341 10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.512 0.311 10.720 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.123 1.459 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.380 1.185 12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.361 2.554 11.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.697 1.025 10.607 1.00 0.00 H new ATOM 219 N TYR A 13 -3.988 3.596 7.489 1.00 0.00 N ATOM 220 CA TYR A 13 -2.559 3.220 7.625 1.00 0.00 C ATOM 221 C TYR A 13 -1.681 4.451 7.481 1.00 0.00 C ATOM 222 O TYR A 13 -0.482 4.379 7.636 1.00 0.00 O ATOM 223 CB TYR A 13 -2.201 2.182 6.575 1.00 0.00 C ATOM 224 CG TYR A 13 -2.708 0.864 7.073 1.00 0.00 C ATOM 225 CD1 TYR A 13 -4.025 0.487 6.814 1.00 0.00 C ATOM 226 CD2 TYR A 13 -1.871 0.033 7.822 1.00 0.00 C ATOM 227 CE1 TYR A 13 -4.510 -0.728 7.298 1.00 0.00 C ATOM 228 CE2 TYR A 13 -2.353 -1.180 8.312 1.00 0.00 C ATOM 229 CZ TYR A 13 -3.676 -1.565 8.051 1.00 0.00 C ATOM 230 OH TYR A 13 -4.156 -2.764 8.536 1.00 0.00 O ATOM 0 H TYR A 13 -4.469 3.193 6.685 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.391 2.791 8.613 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.654 2.432 5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.123 2.147 6.419 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.669 1.135 6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.852 0.330 8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.528 -1.024 7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.708 -1.823 8.892 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.246 -2.710 9.510 1.00 0.00 H new ATOM 240 N ASP A 15 -2.274 5.583 7.225 1.00 0.00 N ATOM 241 CA ASP A 15 -1.510 6.833 7.129 1.00 0.00 C ATOM 242 C ASP A 15 -1.367 7.354 8.557 1.00 0.00 C ATOM 243 O ASP A 15 -1.738 8.467 8.874 1.00 0.00 O ATOM 244 CB ASP A 15 -2.310 7.823 6.284 1.00 0.00 C ATOM 245 CG ASP A 15 -1.368 8.603 5.364 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.346 9.062 5.847 1.00 0.00 O ATOM 247 OD2 ASP A 15 -1.684 8.727 4.193 1.00 0.00 O ATOM 0 H ASP A 15 -3.278 5.685 7.077 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.532 6.691 6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.053 7.290 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.853 8.512 6.932 1.00 0.00 H new ATOM 252 N LYS A 16 -0.857 6.524 9.430 1.00 0.00 N ATOM 253 CA LYS A 16 -0.707 6.907 10.856 1.00 0.00 C ATOM 254 C LYS A 16 0.501 7.841 11.016 1.00 0.00 C ATOM 255 O LYS A 16 0.886 8.189 12.115 1.00 0.00 O ATOM 256 CB LYS A 16 -0.494 5.634 11.698 1.00 0.00 C ATOM 257 CG LYS A 16 -1.158 4.419 11.014 1.00 0.00 C ATOM 258 CD LYS A 16 -1.388 3.297 12.034 1.00 0.00 C ATOM 259 CE LYS A 16 -0.130 3.101 12.884 1.00 0.00 C ATOM 260 NZ LYS A 16 -0.448 3.383 14.312 1.00 0.00 N ATOM 0 H LYS A 16 -0.534 5.583 9.206 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.604 7.425 11.194 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.573 5.449 11.826 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.915 5.774 12.694 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.108 4.717 10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.526 4.059 10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.235 3.543 12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.637 2.370 11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.239 2.081 12.777 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.663 3.765 12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.406 3.250 14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.781 4.364 14.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.191 2.732 14.637 1.00 0.00 H new ATOM 274 N GLU A 17 1.088 8.268 9.925 1.00 0.00 N ATOM 275 CA GLU A 17 2.249 9.198 10.014 1.00 0.00 C ATOM 276 C GLU A 17 1.755 10.626 9.768 1.00 0.00 C ATOM 277 O GLU A 17 1.663 11.426 10.679 1.00 0.00 O ATOM 278 CB GLU A 17 3.292 8.827 8.963 1.00 0.00 C ATOM 279 CG GLU A 17 4.658 9.338 9.419 1.00 0.00 C ATOM 280 CD GLU A 17 5.428 8.207 10.102 1.00 0.00 C ATOM 281 OE1 GLU A 17 5.192 7.061 9.754 1.00 0.00 O ATOM 282 OE2 GLU A 17 6.239 8.504 10.963 1.00 0.00 O ATOM 0 H GLU A 17 0.811 8.011 8.978 1.00 0.00 H new ATOM 0 HA GLU A 17 2.704 9.127 11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.321 7.746 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.028 9.264 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.222 9.711 8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.533 10.174 10.107 1.00 0.00 H new ATOM 289 N GLY A 18 1.422 10.954 8.546 1.00 0.00 N ATOM 290 CA GLY A 18 0.923 12.324 8.259 1.00 0.00 C ATOM 291 C GLY A 18 1.539 12.865 6.964 1.00 0.00 C ATOM 292 O GLY A 18 2.087 13.949 6.938 1.00 0.00 O ATOM 0 H GLY A 18 1.475 10.332 7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.163 12.310 8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.168 12.987 9.089 1.00 0.00 H new ATOM 296 N ASP A 19 1.452 12.130 5.887 1.00 0.00 N ATOM 297 CA ASP A 19 2.034 12.629 4.605 1.00 0.00 C ATOM 298 C ASP A 19 0.965 12.615 3.501 1.00 0.00 C ATOM 299 O ASP A 19 1.229 12.962 2.367 1.00 0.00 O ATOM 300 CB ASP A 19 3.214 11.746 4.196 1.00 0.00 C ATOM 301 CG ASP A 19 4.520 12.509 4.419 1.00 0.00 C ATOM 302 OD1 ASP A 19 4.645 13.600 3.885 1.00 0.00 O ATOM 303 OD2 ASP A 19 5.373 11.990 5.121 1.00 0.00 O ATOM 0 H ASP A 19 1.007 11.213 5.838 1.00 0.00 H new ATOM 0 HA ASP A 19 2.383 13.652 4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.213 10.826 4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.122 11.459 3.149 1.00 0.00 H new ATOM 308 N GLY A 20 -0.236 12.209 3.820 1.00 0.00 N ATOM 309 CA GLY A 20 -1.313 12.165 2.793 1.00 0.00 C ATOM 310 C GLY A 20 -1.285 10.792 2.137 1.00 0.00 C ATOM 311 O GLY A 20 -2.298 10.143 1.964 1.00 0.00 O ATOM 0 H GLY A 20 -0.516 11.905 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.285 12.348 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.161 12.946 2.048 1.00 0.00 H new ATOM 315 N GLN A 22 -0.118 10.356 1.777 1.00 0.00 N ATOM 316 CA GLN A 22 0.041 9.048 1.136 1.00 0.00 C ATOM 317 C GLN A 22 0.768 8.105 2.076 1.00 0.00 C ATOM 318 O GLN A 22 0.659 8.212 3.281 1.00 0.00 O ATOM 319 CB GLN A 22 0.831 9.222 -0.142 1.00 0.00 C ATOM 320 CG GLN A 22 0.628 10.629 -0.716 1.00 0.00 C ATOM 321 CD GLN A 22 1.199 10.710 -2.138 1.00 0.00 C ATOM 322 OE1 GLN A 22 1.344 11.788 -2.679 1.00 0.00 O ATOM 323 NE2 GLN A 22 1.532 9.617 -2.777 1.00 0.00 N ATOM 0 H GLN A 22 0.752 10.873 1.908 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.937 8.625 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.890 9.053 0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.518 8.477 -0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.434 10.875 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.118 11.364 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.413 8.708 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.910 9.674 -3.723 1.00 0.00 H new ATOM 332 N LEU A 23 1.469 7.147 1.549 1.00 0.00 N ATOM 333 CA LEU A 23 2.137 6.182 2.446 1.00 0.00 C ATOM 334 C LEU A 23 3.616 5.994 2.165 1.00 0.00 C ATOM 335 O LEU A 23 4.000 5.543 1.105 1.00 0.00 O ATOM 336 CB LEU A 23 1.563 4.799 2.210 1.00 0.00 C ATOM 337 CG LEU A 23 0.106 4.704 2.592 1.00 0.00 C ATOM 338 CD1 LEU A 23 -0.356 3.307 2.172 1.00 0.00 C ATOM 339 CD2 LEU A 23 -0.044 4.849 4.109 1.00 0.00 C ATOM 0 H LEU A 23 1.606 6.994 0.550 1.00 0.00 H new ATOM 0 HA LEU A 23 1.985 6.586 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.677 4.537 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.134 4.069 2.784 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.480 5.487 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.409 3.180 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.225 3.188 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.236 2.556 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.098 4.780 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.511 4.054 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.348 5.817 4.423 1.00 0.00 H new ATOM 351 N SER A 24 4.429 6.144 3.162 1.00 0.00 N ATOM 352 CA SER A 24 5.834 5.750 2.973 1.00 0.00 C ATOM 353 C SER A 24 5.695 4.237 3.138 1.00 0.00 C ATOM 354 O SER A 24 4.677 3.805 3.639 1.00 0.00 O ATOM 355 CB SER A 24 6.724 6.349 4.065 1.00 0.00 C ATOM 356 OG SER A 24 5.906 6.972 5.047 1.00 0.00 O ATOM 0 H SER A 24 4.186 6.515 4.081 1.00 0.00 H new ATOM 0 HA SER A 24 6.291 6.076 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.332 5.569 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.411 7.076 3.632 1.00 0.00 H new ATOM 0 HG SER A 24 6.472 7.355 5.749 1.00 0.00 H new ATOM 362 N LYS A 25 6.588 3.394 2.725 1.00 0.00 N ATOM 363 CA LYS A 25 6.253 1.959 2.921 1.00 0.00 C ATOM 364 C LYS A 25 5.942 1.716 4.402 1.00 0.00 C ATOM 365 O LYS A 25 5.218 0.809 4.746 1.00 0.00 O ATOM 366 CB LYS A 25 7.404 1.042 2.517 1.00 0.00 C ATOM 367 CG LYS A 25 7.303 0.607 1.054 1.00 0.00 C ATOM 368 CD LYS A 25 5.861 0.425 0.595 1.00 0.00 C ATOM 369 CE LYS A 25 5.447 1.626 -0.257 1.00 0.00 C ATOM 370 NZ LYS A 25 4.063 1.420 -0.758 1.00 0.00 N ATOM 0 H LYS A 25 7.483 3.611 2.286 1.00 0.00 H new ATOM 0 HA LYS A 25 5.394 1.731 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.351 1.557 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.407 0.160 3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.790 1.351 0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.844 -0.329 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.764 -0.495 0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.201 0.332 1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.500 2.541 0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.135 1.747 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.053 1.503 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.732 0.473 -0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.434 2.139 -0.347 1.00 0.00 H new ATOM 384 N GLU A 26 6.489 2.513 5.282 1.00 0.00 N ATOM 385 CA GLU A 26 6.217 2.313 6.737 1.00 0.00 C ATOM 386 C GLU A 26 4.744 1.949 6.932 1.00 0.00 C ATOM 387 O GLU A 26 4.403 1.117 7.744 1.00 0.00 O ATOM 388 CB GLU A 26 6.532 3.605 7.495 1.00 0.00 C ATOM 389 CG GLU A 26 7.919 3.500 8.129 1.00 0.00 C ATOM 390 CD GLU A 26 8.694 4.796 7.882 1.00 0.00 C ATOM 391 OE1 GLU A 26 8.274 5.821 8.394 1.00 0.00 O ATOM 392 OE2 GLU A 26 9.696 4.741 7.188 1.00 0.00 O ATOM 0 H GLU A 26 7.110 3.291 5.058 1.00 0.00 H new ATOM 0 HA GLU A 26 6.843 1.507 7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.495 4.456 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.781 3.779 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.828 3.317 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.461 2.654 7.706 1.00 0.00 H new ATOM 399 N GLU A 27 3.874 2.576 6.187 1.00 0.00 N ATOM 400 CA GLU A 27 2.419 2.288 6.304 1.00 0.00 C ATOM 401 C GLU A 27 2.004 1.115 5.388 1.00 0.00 C ATOM 402 O GLU A 27 1.082 0.387 5.698 1.00 0.00 O ATOM 403 CB GLU A 27 1.645 3.537 5.915 1.00 0.00 C ATOM 404 CG GLU A 27 1.943 4.664 6.914 1.00 0.00 C ATOM 405 CD GLU A 27 3.270 5.341 6.568 1.00 0.00 C ATOM 406 OE1 GLU A 27 4.301 4.818 6.956 1.00 0.00 O ATOM 407 OE2 GLU A 27 3.229 6.381 5.934 1.00 0.00 O ATOM 0 H GLU A 27 4.115 3.284 5.494 1.00 0.00 H new ATOM 0 HA GLU A 27 2.197 2.004 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.921 3.849 4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.576 3.324 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.137 5.398 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.985 4.261 7.926 1.00 0.00 H new ATOM 414 N LEU A 28 2.655 0.922 4.259 1.00 0.00 N ATOM 415 CA LEU A 28 2.261 -0.201 3.348 1.00 0.00 C ATOM 416 C LEU A 28 2.849 -1.527 3.843 1.00 0.00 C ATOM 417 O LEU A 28 2.117 -2.463 4.088 1.00 0.00 O ATOM 418 CB LEU A 28 2.766 0.093 1.943 1.00 0.00 C ATOM 419 CG LEU A 28 1.718 -0.344 0.913 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.293 0.860 0.068 1.00 0.00 C ATOM 421 CD2 LEU A 28 2.317 -1.408 -0.005 1.00 0.00 C ATOM 0 H LEU A 28 3.436 1.491 3.933 1.00 0.00 H new ATOM 0 HA LEU A 28 1.174 -0.287 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.972 1.158 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.704 -0.433 1.766 1.00 0.00 H new ATOM 0 HG LEU A 28 0.852 -0.751 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.548 0.546 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.866 1.626 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.162 1.266 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.572 -1.718 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.184 -0.996 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.624 -2.270 0.588 1.00 0.00 H new ATOM 433 N LYS A 29 4.156 -1.632 3.991 1.00 0.00 N ATOM 434 CA LYS A 29 4.745 -2.920 4.483 1.00 0.00 C ATOM 435 C LYS A 29 3.833 -3.497 5.572 1.00 0.00 C ATOM 436 O LYS A 29 3.730 -4.696 5.746 1.00 0.00 O ATOM 437 CB LYS A 29 6.129 -2.658 5.087 1.00 0.00 C ATOM 438 CG LYS A 29 7.136 -2.340 3.982 1.00 0.00 C ATOM 439 CD LYS A 29 8.372 -1.688 4.605 1.00 0.00 C ATOM 440 CE LYS A 29 9.634 -2.238 3.941 1.00 0.00 C ATOM 441 NZ LYS A 29 9.378 -2.456 2.488 1.00 0.00 N ATOM 0 H LYS A 29 4.828 -0.891 3.794 1.00 0.00 H new ATOM 0 HA LYS A 29 4.836 -3.620 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.075 -1.827 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.459 -3.531 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.417 -3.252 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.689 -1.672 3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.326 -0.606 4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.398 -1.885 5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.461 -1.541 4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.927 -3.175 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.266 -2.346 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.004 -3.415 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.685 -1.759 2.149 1.00 0.00 H new ATOM 455 N LEU A 30 3.151 -2.640 6.283 1.00 0.00 N ATOM 456 CA LEU A 30 2.218 -3.112 7.344 1.00 0.00 C ATOM 457 C LEU A 30 0.946 -3.616 6.668 1.00 0.00 C ATOM 458 O LEU A 30 0.478 -4.705 6.937 1.00 0.00 O ATOM 459 CB LEU A 30 1.861 -1.956 8.285 1.00 0.00 C ATOM 460 CG LEU A 30 3.009 -0.945 8.331 1.00 0.00 C ATOM 461 CD1 LEU A 30 2.701 0.122 9.384 1.00 0.00 C ATOM 462 CD2 LEU A 30 4.304 -1.665 8.705 1.00 0.00 C ATOM 0 H LEU A 30 3.201 -1.627 6.173 1.00 0.00 H new ATOM 0 HA LEU A 30 2.689 -3.906 7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.948 -1.467 7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.662 -2.339 9.286 1.00 0.00 H new ATOM 0 HG LEU A 30 3.122 -0.475 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.517 0.844 9.420 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.775 0.634 9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.592 -0.351 10.360 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.123 -0.947 8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.191 -2.132 9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.523 -2.430 7.960 1.00 0.00 H new ATOM 474 N LEU A 31 0.394 -2.825 5.780 1.00 0.00 N ATOM 475 CA LEU A 31 -0.842 -3.242 5.056 1.00 0.00 C ATOM 476 C LEU A 31 -0.739 -4.725 4.721 1.00 0.00 C ATOM 477 O LEU A 31 -1.666 -5.487 4.910 1.00 0.00 O ATOM 478 CB LEU A 31 -0.959 -2.446 3.754 1.00 0.00 C ATOM 479 CG LEU A 31 -2.296 -1.710 3.718 1.00 0.00 C ATOM 480 CD1 LEU A 31 -3.423 -2.669 4.108 1.00 0.00 C ATOM 481 CD2 LEU A 31 -2.253 -0.547 4.706 1.00 0.00 C ATOM 0 H LEU A 31 0.751 -1.904 5.526 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.716 -3.057 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.138 -1.733 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.879 -3.116 2.898 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.478 -1.333 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.376 -2.141 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.451 -3.503 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.246 -3.048 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.205 -0.017 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.072 -0.929 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.451 0.137 4.428 1.00 0.00 H new ATOM 493 N LEU A 32 0.395 -5.139 4.231 1.00 0.00 N ATOM 494 CA LEU A 32 0.575 -6.578 3.894 1.00 0.00 C ATOM 495 C LEU A 32 0.274 -7.422 5.135 1.00 0.00 C ATOM 496 O LEU A 32 -0.600 -8.268 5.139 1.00 0.00 O ATOM 497 CB LEU A 32 2.031 -6.811 3.456 1.00 0.00 C ATOM 498 CG LEU A 32 2.388 -8.308 3.508 1.00 0.00 C ATOM 499 CD1 LEU A 32 2.755 -8.710 4.939 1.00 0.00 C ATOM 500 CD2 LEU A 32 1.200 -9.146 3.027 1.00 0.00 C ATOM 0 H LEU A 32 1.204 -4.545 4.049 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.100 -6.861 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.175 -6.434 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.704 -6.250 4.104 1.00 0.00 H new ATOM 0 HG LEU A 32 3.242 -8.489 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.006 -9.770 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.612 -8.126 5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.908 -8.521 5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.461 -10.204 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.340 -8.960 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.953 -8.872 2.001 1.00 0.00 H new ATOM 512 N GLN A 33 1.013 -7.198 6.179 1.00 0.00 N ATOM 513 CA GLN A 33 0.826 -7.979 7.437 1.00 0.00 C ATOM 514 C GLN A 33 -0.550 -7.716 8.052 1.00 0.00 C ATOM 515 O GLN A 33 -0.928 -8.350 9.016 1.00 0.00 O ATOM 516 CB GLN A 33 1.904 -7.570 8.441 1.00 0.00 C ATOM 517 CG GLN A 33 3.051 -8.581 8.408 1.00 0.00 C ATOM 518 CD GLN A 33 3.476 -8.918 9.838 1.00 0.00 C ATOM 519 OE1 GLN A 33 3.586 -10.074 10.195 1.00 0.00 O ATOM 520 NE2 GLN A 33 3.720 -7.950 10.677 1.00 0.00 N ATOM 0 H GLN A 33 1.752 -6.496 6.219 1.00 0.00 H new ATOM 0 HA GLN A 33 0.902 -9.040 7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.277 -6.574 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.480 -7.520 9.444 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.737 -9.486 7.888 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.895 -8.171 7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.628 -6.980 10.377 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.003 -8.163 11.633 1.00 0.00 H new ATOM 529 N THR A 34 -1.304 -6.792 7.529 1.00 0.00 N ATOM 530 CA THR A 34 -2.637 -6.525 8.137 1.00 0.00 C ATOM 531 C THR A 34 -3.674 -6.208 7.059 1.00 0.00 C ATOM 532 O THR A 34 -3.548 -5.255 6.317 1.00 0.00 O ATOM 533 CB THR A 34 -2.529 -5.343 9.101 1.00 0.00 C ATOM 534 OG1 THR A 34 -1.346 -5.479 9.879 1.00 0.00 O ATOM 535 CG2 THR A 34 -3.752 -5.321 10.019 1.00 0.00 C ATOM 0 H THR A 34 -1.062 -6.218 6.721 1.00 0.00 H new ATOM 0 HA THR A 34 -2.957 -7.417 8.675 1.00 0.00 H new ATOM 0 HB THR A 34 -2.487 -4.411 8.537 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.272 -4.722 10.497 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.676 -4.479 10.707 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.656 -5.219 9.418 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.797 -6.250 10.587 1.00 0.00 H new ATOM 543 N GLU A 35 -4.711 -7.000 6.992 1.00 0.00 N ATOM 544 CA GLU A 35 -5.795 -6.763 5.994 1.00 0.00 C ATOM 545 C GLU A 35 -5.342 -7.143 4.581 1.00 0.00 C ATOM 546 O GLU A 35 -6.139 -7.168 3.666 1.00 0.00 O ATOM 547 CB GLU A 35 -6.201 -5.287 6.015 1.00 0.00 C ATOM 548 CG GLU A 35 -6.466 -4.847 7.457 1.00 0.00 C ATOM 549 CD GLU A 35 -7.791 -5.442 7.937 1.00 0.00 C ATOM 550 OE1 GLU A 35 -8.697 -5.548 7.127 1.00 0.00 O ATOM 551 OE2 GLU A 35 -7.876 -5.782 9.106 1.00 0.00 O ATOM 0 H GLU A 35 -4.855 -7.811 7.594 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.645 -7.389 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.412 -4.676 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.094 -5.137 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.652 -5.175 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.501 -3.759 7.516 1.00 0.00 H new ATOM 558 N PHE A 36 -4.084 -7.429 4.371 1.00 0.00 N ATOM 559 CA PHE A 36 -3.649 -7.785 2.994 1.00 0.00 C ATOM 560 C PHE A 36 -2.518 -8.815 3.038 1.00 0.00 C ATOM 561 O PHE A 36 -1.371 -8.471 2.857 1.00 0.00 O ATOM 562 CB PHE A 36 -3.151 -6.522 2.294 1.00 0.00 C ATOM 563 CG PHE A 36 -4.328 -5.660 1.901 1.00 0.00 C ATOM 564 CD1 PHE A 36 -4.963 -4.862 2.860 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.782 -5.655 0.577 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.052 -4.061 2.495 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.870 -4.854 0.211 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.505 -4.056 1.170 1.00 0.00 C ATOM 0 H PHE A 36 -3.352 -7.431 5.081 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.492 -8.214 2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.486 -5.967 2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.572 -6.789 1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.613 -4.864 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.292 -6.270 -0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.543 -3.447 3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.219 -4.852 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.344 -3.437 0.888 1.00 0.00 H new ATOM 578 N PRO A 37 -2.873 -10.054 3.258 1.00 0.00 N ATOM 579 CA PRO A 37 -1.890 -11.155 3.304 1.00 0.00 C ATOM 580 C PRO A 37 -1.439 -11.482 1.885 1.00 0.00 C ATOM 581 O PRO A 37 -0.291 -11.329 1.522 1.00 0.00 O ATOM 582 CB PRO A 37 -2.684 -12.343 3.842 1.00 0.00 C ATOM 583 CG PRO A 37 -4.170 -12.012 3.589 1.00 0.00 C ATOM 584 CD PRO A 37 -4.270 -10.477 3.482 1.00 0.00 C ATOM 0 HA PRO A 37 -1.013 -10.912 3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.398 -13.265 3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.493 -12.491 4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.522 -12.487 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.793 -12.385 4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.918 -10.174 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.681 -10.037 4.391 1.00 0.00 H new ATOM 592 N SER A 38 -2.358 -11.961 1.095 1.00 0.00 N ATOM 593 CA SER A 38 -2.053 -12.343 -0.295 1.00 0.00 C ATOM 594 C SER A 38 -1.089 -11.334 -0.927 1.00 0.00 C ATOM 595 O SER A 38 -0.329 -11.668 -1.813 1.00 0.00 O ATOM 596 CB SER A 38 -3.346 -12.385 -1.114 1.00 0.00 C ATOM 597 OG SER A 38 -4.460 -12.191 -0.254 1.00 0.00 O ATOM 0 H SER A 38 -3.330 -12.104 1.370 1.00 0.00 H new ATOM 0 HA SER A 38 -1.586 -13.328 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.327 -11.612 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.432 -13.343 -1.628 1.00 0.00 H new ATOM 0 HG SER A 38 -5.287 -12.216 -0.779 1.00 0.00 H new ATOM 603 N LEU A 39 -1.113 -10.100 -0.483 1.00 0.00 N ATOM 604 CA LEU A 39 -0.194 -9.081 -1.069 1.00 0.00 C ATOM 605 C LEU A 39 1.186 -9.712 -1.200 1.00 0.00 C ATOM 606 O LEU A 39 1.751 -9.795 -2.272 1.00 0.00 O ATOM 607 CB LEU A 39 -0.124 -7.860 -0.147 1.00 0.00 C ATOM 608 CG LEU A 39 -0.645 -6.630 -0.891 1.00 0.00 C ATOM 609 CD1 LEU A 39 -0.594 -5.411 0.034 1.00 0.00 C ATOM 610 CD2 LEU A 39 0.226 -6.372 -2.120 1.00 0.00 C ATOM 0 H LEU A 39 -1.727 -9.758 0.256 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.555 -8.759 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.718 -8.034 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.903 -7.694 0.177 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.674 -6.805 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.966 -4.535 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.215 -5.594 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.435 -5.235 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.145 -5.495 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.255 -6.198 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.189 -7.238 -2.780 1.00 0.00 H new ATOM 622 N LEU A 40 1.708 -10.198 -0.115 1.00 0.00 N ATOM 623 CA LEU A 40 3.028 -10.876 -0.162 1.00 0.00 C ATOM 624 C LEU A 40 2.768 -12.383 -0.143 1.00 0.00 C ATOM 625 O LEU A 40 2.771 -13.033 -1.169 1.00 0.00 O ATOM 626 CB LEU A 40 3.867 -10.488 1.060 1.00 0.00 C ATOM 627 CG LEU A 40 4.548 -9.138 0.823 1.00 0.00 C ATOM 628 CD1 LEU A 40 3.490 -8.051 0.627 1.00 0.00 C ATOM 629 CD2 LEU A 40 5.415 -8.793 2.037 1.00 0.00 C ATOM 0 H LEU A 40 1.276 -10.155 0.808 1.00 0.00 H new ATOM 0 HA LEU A 40 3.573 -10.582 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.232 -10.434 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.618 -11.254 1.253 1.00 0.00 H new ATOM 0 HG LEU A 40 5.170 -9.197 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.980 -7.092 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.870 -8.298 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.865 -7.987 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.903 -7.832 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.788 -8.736 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.172 -9.565 2.175 1.00 0.00 H new ATOM 641 N LYS A 41 2.510 -12.918 1.027 1.00 0.00 N ATOM 642 CA LYS A 41 2.211 -14.377 1.174 1.00 0.00 C ATOM 643 C LYS A 41 2.950 -15.199 0.110 1.00 0.00 C ATOM 644 O LYS A 41 2.463 -16.212 -0.350 1.00 0.00 O ATOM 645 CB LYS A 41 0.698 -14.599 1.040 1.00 0.00 C ATOM 646 CG LYS A 41 0.372 -16.072 1.302 1.00 0.00 C ATOM 647 CD LYS A 41 -0.983 -16.180 2.005 1.00 0.00 C ATOM 648 CE LYS A 41 -1.767 -17.360 1.426 1.00 0.00 C ATOM 649 NZ LYS A 41 -2.148 -18.292 2.525 1.00 0.00 N ATOM 0 H LYS A 41 2.494 -12.394 1.902 1.00 0.00 H new ATOM 0 HA LYS A 41 2.551 -14.706 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.163 -13.966 1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.365 -14.314 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.350 -16.623 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.150 -16.523 1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.839 -16.317 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.547 -15.256 1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.660 -17.001 0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.163 -17.883 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.681 -19.094 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.290 -18.644 2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.740 -17.789 3.217 1.00 0.00 H new ATOM 663 N GLY A 42 4.124 -14.780 -0.279 1.00 0.00 N ATOM 664 CA GLY A 42 4.883 -15.550 -1.307 1.00 0.00 C ATOM 665 C GLY A 42 5.213 -14.652 -2.505 1.00 0.00 C ATOM 666 O GLY A 42 6.362 -14.381 -2.789 1.00 0.00 O ATOM 0 H GLY A 42 4.589 -13.941 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.803 -15.942 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.296 -16.407 -1.637 1.00 0.00 H new ATOM 670 N MET A 43 4.216 -14.197 -3.219 1.00 0.00 N ATOM 671 CA MET A 43 4.480 -13.330 -4.406 1.00 0.00 C ATOM 672 C MET A 43 5.206 -12.047 -3.966 1.00 0.00 C ATOM 673 O MET A 43 6.345 -12.091 -3.549 1.00 0.00 O ATOM 674 CB MET A 43 3.153 -12.984 -5.086 1.00 0.00 C ATOM 675 CG MET A 43 2.622 -14.214 -5.822 1.00 0.00 C ATOM 676 SD MET A 43 0.817 -14.125 -5.923 1.00 0.00 S ATOM 677 CE MET A 43 0.513 -15.905 -6.023 1.00 0.00 C ATOM 0 H MET A 43 3.232 -14.388 -3.032 1.00 0.00 H new ATOM 0 HA MET A 43 5.115 -13.863 -5.113 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.428 -12.650 -4.344 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.295 -12.161 -5.786 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.051 -14.265 -6.823 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.923 -15.122 -5.299 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.559 -16.088 -6.094 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.009 -16.310 -6.905 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.906 -16.392 -5.130 1.00 0.00 H new ATOM 687 N SER A 44 4.566 -10.905 -4.059 1.00 0.00 N ATOM 688 CA SER A 44 5.238 -9.637 -3.647 1.00 0.00 C ATOM 689 C SER A 44 5.991 -9.863 -2.336 1.00 0.00 C ATOM 690 O SER A 44 5.581 -10.653 -1.510 1.00 0.00 O ATOM 691 CB SER A 44 4.187 -8.545 -3.447 1.00 0.00 C ATOM 692 OG SER A 44 3.219 -8.629 -4.485 1.00 0.00 O ATOM 0 H SER A 44 3.611 -10.799 -4.401 1.00 0.00 H new ATOM 0 HA SER A 44 5.940 -9.329 -4.422 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.706 -8.660 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.660 -7.563 -3.454 1.00 0.00 H new ATOM 0 HG SER A 44 2.400 -9.039 -4.136 1.00 0.00 H new ATOM 698 N THR A 45 7.101 -9.203 -2.140 1.00 0.00 N ATOM 699 CA THR A 45 7.860 -9.415 -0.898 1.00 0.00 C ATOM 700 C THR A 45 8.300 -8.097 -0.278 1.00 0.00 C ATOM 701 O THR A 45 9.472 -7.791 -0.230 1.00 0.00 O ATOM 702 CB THR A 45 9.105 -10.156 -1.219 1.00 0.00 C ATOM 703 OG1 THR A 45 9.510 -9.863 -2.550 1.00 0.00 O ATOM 704 CG2 THR A 45 8.887 -11.649 -1.055 1.00 0.00 C ATOM 0 H THR A 45 7.505 -8.530 -2.791 1.00 0.00 H new ATOM 0 HA THR A 45 7.213 -9.955 -0.207 1.00 0.00 H new ATOM 0 HB THR A 45 9.890 -9.843 -0.531 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.333 -10.353 -2.757 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.809 -12.180 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.601 -11.864 -0.025 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.095 -11.977 -1.728 1.00 0.00 H new ATOM 712 N LEU A 46 7.384 -7.371 0.234 1.00 0.00 N ATOM 713 CA LEU A 46 7.698 -6.070 0.909 1.00 0.00 C ATOM 714 C LEU A 46 8.193 -4.986 -0.080 1.00 0.00 C ATOM 715 O LEU A 46 7.793 -3.843 0.015 1.00 0.00 O ATOM 716 CB LEU A 46 8.772 -6.299 1.978 1.00 0.00 C ATOM 717 CG LEU A 46 8.103 -6.518 3.336 1.00 0.00 C ATOM 718 CD1 LEU A 46 8.300 -7.971 3.773 1.00 0.00 C ATOM 719 CD2 LEU A 46 8.733 -5.586 4.372 1.00 0.00 C ATOM 0 H LEU A 46 6.393 -7.613 0.224 1.00 0.00 H new ATOM 0 HA LEU A 46 6.772 -5.708 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.381 -7.165 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.442 -5.440 2.025 1.00 0.00 H new ATOM 0 HG LEU A 46 7.037 -6.303 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.823 -8.128 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.851 -8.637 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.366 -8.185 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.256 -5.742 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.799 -5.800 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.594 -4.550 4.062 1.00 0.00 H new ATOM 731 N ASP A 47 9.065 -5.305 -1.011 1.00 0.00 N ATOM 732 CA ASP A 47 9.567 -4.279 -1.951 1.00 0.00 C ATOM 733 C ASP A 47 8.593 -4.140 -3.108 1.00 0.00 C ATOM 734 O ASP A 47 8.249 -3.079 -3.539 1.00 0.00 O ATOM 735 CB ASP A 47 10.926 -4.728 -2.475 1.00 0.00 C ATOM 736 CG ASP A 47 11.958 -4.649 -1.350 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.082 -3.588 -0.758 1.00 0.00 O ATOM 738 OD2 ASP A 47 12.605 -5.650 -1.095 1.00 0.00 O ATOM 0 H ASP A 47 9.446 -6.241 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 47 9.662 -3.317 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.863 -5.748 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.233 -4.097 -3.309 1.00 0.00 H new ATOM 743 N GLU A 48 8.153 -5.232 -3.602 1.00 0.00 N ATOM 744 CA GLU A 48 7.217 -5.244 -4.711 1.00 0.00 C ATOM 745 C GLU A 48 6.133 -4.225 -4.449 1.00 0.00 C ATOM 746 O GLU A 48 6.022 -3.243 -5.130 1.00 0.00 O ATOM 747 CB GLU A 48 6.658 -6.649 -4.760 1.00 0.00 C ATOM 748 CG GLU A 48 7.237 -7.392 -5.957 1.00 0.00 C ATOM 749 CD GLU A 48 6.341 -7.177 -7.180 1.00 0.00 C ATOM 750 OE1 GLU A 48 5.707 -6.137 -7.248 1.00 0.00 O ATOM 751 OE2 GLU A 48 6.305 -8.055 -8.024 1.00 0.00 O ATOM 0 H GLU A 48 8.418 -6.157 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 48 7.682 -4.986 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.900 -7.179 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.571 -6.616 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.246 -7.035 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.315 -8.456 -5.734 1.00 0.00 H new ATOM 758 N LEU A 49 5.352 -4.423 -3.451 1.00 0.00 N ATOM 759 CA LEU A 49 4.316 -3.408 -3.153 1.00 0.00 C ATOM 760 C LEU A 49 5.034 -2.051 -3.064 1.00 0.00 C ATOM 761 O LEU A 49 4.494 -1.014 -3.395 1.00 0.00 O ATOM 762 CB LEU A 49 3.625 -3.749 -1.830 1.00 0.00 C ATOM 763 CG LEU A 49 4.668 -3.974 -0.728 1.00 0.00 C ATOM 764 CD1 LEU A 49 4.982 -2.651 -0.037 1.00 0.00 C ATOM 765 CD2 LEU A 49 4.111 -4.960 0.299 1.00 0.00 C ATOM 0 H LEU A 49 5.377 -5.231 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 49 3.548 -3.380 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.952 -2.940 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.014 -4.644 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 49 5.580 -4.375 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.723 -2.816 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.376 -1.944 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.072 -2.247 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.849 -5.123 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.199 -4.553 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.887 -5.908 -0.191 1.00 0.00 H new ATOM 777 N PHE A 50 6.268 -2.082 -2.624 1.00 0.00 N ATOM 778 CA PHE A 50 7.096 -0.847 -2.500 1.00 0.00 C ATOM 779 C PHE A 50 7.597 -0.381 -3.878 1.00 0.00 C ATOM 780 O PHE A 50 6.991 0.464 -4.484 1.00 0.00 O ATOM 781 CB PHE A 50 8.277 -1.143 -1.569 1.00 0.00 C ATOM 782 CG PHE A 50 8.964 0.146 -1.160 1.00 0.00 C ATOM 783 CD1 PHE A 50 8.570 1.374 -1.719 1.00 0.00 C ATOM 784 CD2 PHE A 50 10.007 0.109 -0.226 1.00 0.00 C ATOM 785 CE1 PHE A 50 9.216 2.556 -1.340 1.00 0.00 C ATOM 786 CE2 PHE A 50 10.652 1.294 0.152 1.00 0.00 C ATOM 787 CZ PHE A 50 10.257 2.516 -0.405 1.00 0.00 C ATOM 0 H PHE A 50 6.746 -2.937 -2.339 1.00 0.00 H new ATOM 0 HA PHE A 50 6.490 -0.043 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.926 -1.672 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.989 -1.798 -2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.768 1.405 -2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.314 -0.833 0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.911 3.499 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.455 1.265 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.756 3.428 -0.113 1.00 0.00 H new ATOM 797 N GLU A 51 8.690 -0.909 -4.380 1.00 0.00 N ATOM 798 CA GLU A 51 9.196 -0.475 -5.713 1.00 0.00 C ATOM 799 C GLU A 51 8.020 -0.361 -6.669 1.00 0.00 C ATOM 800 O GLU A 51 8.033 0.418 -7.603 1.00 0.00 O ATOM 801 CB GLU A 51 10.189 -1.512 -6.245 1.00 0.00 C ATOM 802 CG GLU A 51 9.522 -2.892 -6.294 1.00 0.00 C ATOM 803 CD GLU A 51 9.363 -3.330 -7.752 1.00 0.00 C ATOM 804 OE1 GLU A 51 8.967 -2.503 -8.559 1.00 0.00 O ATOM 805 OE2 GLU A 51 9.640 -4.483 -8.037 1.00 0.00 O ATOM 0 H GLU A 51 9.252 -1.624 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 51 9.697 0.489 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.529 -1.226 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.071 -1.547 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.124 -3.618 -5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.548 -2.855 -5.806 1.00 0.00 H new ATOM 812 N GLU A 52 7.002 -1.141 -6.437 1.00 0.00 N ATOM 813 CA GLU A 52 5.799 -1.090 -7.329 1.00 0.00 C ATOM 814 C GLU A 52 5.500 0.367 -7.724 1.00 0.00 C ATOM 815 O GLU A 52 5.261 0.668 -8.876 1.00 0.00 O ATOM 816 CB GLU A 52 4.585 -1.665 -6.590 1.00 0.00 C ATOM 817 CG GLU A 52 4.364 -3.121 -7.009 1.00 0.00 C ATOM 818 CD GLU A 52 3.434 -3.173 -8.222 1.00 0.00 C ATOM 819 OE1 GLU A 52 3.808 -2.642 -9.255 1.00 0.00 O ATOM 820 OE2 GLU A 52 2.364 -3.745 -8.097 1.00 0.00 O ATOM 0 H GLU A 52 6.946 -1.812 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 52 5.999 -1.677 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.742 -1.607 -5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.697 -1.074 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.318 -3.589 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.932 -3.686 -6.183 1.00 0.00 H new ATOM 827 N LEU A 53 5.511 1.271 -6.776 1.00 0.00 N ATOM 828 CA LEU A 53 5.232 2.693 -7.078 1.00 0.00 C ATOM 829 C LEU A 53 6.503 3.505 -6.830 1.00 0.00 C ATOM 830 O LEU A 53 6.708 4.545 -7.399 1.00 0.00 O ATOM 831 CB LEU A 53 4.111 3.162 -6.160 1.00 0.00 C ATOM 832 CG LEU A 53 2.766 3.105 -6.897 1.00 0.00 C ATOM 833 CD1 LEU A 53 2.734 1.916 -7.869 1.00 0.00 C ATOM 834 CD2 LEU A 53 1.655 2.932 -5.868 1.00 0.00 C ATOM 0 H LEU A 53 5.705 1.073 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 53 4.928 2.823 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.073 2.534 -5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.308 4.180 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 53 2.629 4.026 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.773 1.892 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.534 2.023 -8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.872 0.988 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.692 2.890 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.814 2.007 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.664 3.775 -5.177 1.00 0.00 H new ATOM 846 N ASP A 54 7.381 3.002 -6.010 1.00 0.00 N ATOM 847 CA ASP A 54 8.681 3.703 -5.742 1.00 0.00 C ATOM 848 C ASP A 54 9.650 3.438 -6.897 1.00 0.00 C ATOM 849 O ASP A 54 10.845 3.632 -6.803 1.00 0.00 O ATOM 850 CB ASP A 54 9.284 3.112 -4.495 1.00 0.00 C ATOM 851 CG ASP A 54 10.571 3.855 -4.136 1.00 0.00 C ATOM 852 OD1 ASP A 54 10.712 4.992 -4.557 1.00 0.00 O ATOM 853 OD2 ASP A 54 11.396 3.277 -3.448 1.00 0.00 O ATOM 0 H ASP A 54 7.258 2.125 -5.505 1.00 0.00 H new ATOM 0 HA ASP A 54 8.507 4.774 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.574 3.178 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.496 2.054 -4.649 1.00 0.00 H new ATOM 858 N LYS A 55 9.111 2.972 -7.961 1.00 0.00 N ATOM 859 CA LYS A 55 9.864 2.624 -9.169 1.00 0.00 C ATOM 860 C LYS A 55 11.034 3.587 -9.446 1.00 0.00 C ATOM 861 O LYS A 55 12.157 3.156 -9.616 1.00 0.00 O ATOM 862 CB LYS A 55 8.849 2.694 -10.302 1.00 0.00 C ATOM 863 CG LYS A 55 8.170 4.073 -10.287 1.00 0.00 C ATOM 864 CD LYS A 55 6.704 3.961 -10.702 1.00 0.00 C ATOM 865 CE LYS A 55 6.074 5.360 -10.687 1.00 0.00 C ATOM 866 NZ LYS A 55 5.429 5.630 -12.002 1.00 0.00 N ATOM 0 H LYS A 55 8.108 2.807 -8.047 1.00 0.00 H new ATOM 0 HA LYS A 55 10.320 1.640 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.343 2.529 -11.260 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.104 1.907 -10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.238 4.506 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.694 4.748 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.627 3.524 -11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.169 3.300 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.336 5.429 -9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.837 6.112 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.002 6.578 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.144 5.581 -12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.690 4.920 -12.179 1.00 0.00 H new ATOM 880 N ASN A 56 10.801 4.871 -9.519 1.00 0.00 N ATOM 881 CA ASN A 56 11.927 5.810 -9.816 1.00 0.00 C ATOM 882 C ASN A 56 11.900 6.892 -8.750 1.00 0.00 C ATOM 883 O ASN A 56 12.876 7.199 -8.095 1.00 0.00 O ATOM 884 CB ASN A 56 11.691 6.515 -11.164 1.00 0.00 C ATOM 885 CG ASN A 56 10.558 5.835 -11.938 1.00 0.00 C ATOM 886 OD1 ASN A 56 9.672 6.500 -12.436 1.00 0.00 O ATOM 887 ND2 ASN A 56 10.539 4.544 -12.066 1.00 0.00 N ATOM 0 H ASN A 56 9.889 5.309 -9.387 1.00 0.00 H new ATOM 0 HA ASN A 56 12.867 5.258 -9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.444 7.563 -10.994 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.606 6.495 -11.756 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.783 4.094 -12.582 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.280 3.979 -11.650 1.00 0.00 H new ATOM 894 N GLY A 57 10.745 7.461 -8.602 1.00 0.00 N ATOM 895 CA GLY A 57 10.516 8.546 -7.612 1.00 0.00 C ATOM 896 C GLY A 57 9.007 8.715 -7.505 1.00 0.00 C ATOM 897 O GLY A 57 8.467 9.796 -7.624 1.00 0.00 O ATOM 0 H GLY A 57 9.919 7.211 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.948 8.288 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.989 9.473 -7.935 1.00 0.00 H new ATOM 901 N ASP A 58 8.334 7.622 -7.298 1.00 0.00 N ATOM 902 CA ASP A 58 6.863 7.624 -7.192 1.00 0.00 C ATOM 903 C ASP A 58 6.505 6.697 -6.032 1.00 0.00 C ATOM 904 O ASP A 58 5.450 6.096 -5.993 1.00 0.00 O ATOM 905 CB ASP A 58 6.270 7.102 -8.504 1.00 0.00 C ATOM 906 CG ASP A 58 4.777 7.431 -8.556 1.00 0.00 C ATOM 907 OD1 ASP A 58 4.281 7.987 -7.589 1.00 0.00 O ATOM 908 OD2 ASP A 58 4.154 7.122 -9.558 1.00 0.00 O ATOM 0 H ASP A 58 8.762 6.702 -7.196 1.00 0.00 H new ATOM 0 HA ASP A 58 6.467 8.624 -7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.783 7.555 -9.353 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.419 6.025 -8.579 1.00 0.00 H new ATOM 913 N GLY A 59 7.414 6.565 -5.092 1.00 0.00 N ATOM 914 CA GLY A 59 7.188 5.667 -3.930 1.00 0.00 C ATOM 915 C GLY A 59 6.073 6.218 -3.055 1.00 0.00 C ATOM 916 O GLY A 59 5.548 5.526 -2.205 1.00 0.00 O ATOM 0 H GLY A 59 8.311 7.051 -5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.928 4.667 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.105 5.574 -3.348 1.00 0.00 H new ATOM 920 N GLU A 60 5.688 7.445 -3.253 1.00 0.00 N ATOM 921 CA GLU A 60 4.581 7.979 -2.407 1.00 0.00 C ATOM 922 C GLU A 60 3.272 7.438 -2.958 1.00 0.00 C ATOM 923 O GLU A 60 2.821 7.824 -4.018 1.00 0.00 O ATOM 924 CB GLU A 60 4.552 9.506 -2.424 1.00 0.00 C ATOM 925 CG GLU A 60 4.780 10.017 -3.849 1.00 0.00 C ATOM 926 CD GLU A 60 6.130 10.730 -3.926 1.00 0.00 C ATOM 927 OE1 GLU A 60 7.141 10.049 -3.861 1.00 0.00 O ATOM 928 OE2 GLU A 60 6.132 11.944 -4.049 1.00 0.00 O ATOM 0 H GLU A 60 6.077 8.088 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 60 4.733 7.665 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.593 9.864 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.321 9.900 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.756 9.185 -4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.980 10.700 -4.134 1.00 0.00 H new ATOM 935 N VAL A 61 2.673 6.523 -2.258 1.00 0.00 N ATOM 936 CA VAL A 61 1.410 5.927 -2.747 1.00 0.00 C ATOM 937 C VAL A 61 0.240 6.526 -1.993 1.00 0.00 C ATOM 938 O VAL A 61 -0.098 6.118 -0.901 1.00 0.00 O ATOM 939 CB VAL A 61 1.473 4.433 -2.525 1.00 0.00 C ATOM 940 CG1 VAL A 61 0.418 3.741 -3.381 1.00 0.00 C ATOM 941 CG2 VAL A 61 2.859 3.957 -2.936 1.00 0.00 C ATOM 0 H VAL A 61 3.007 6.162 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 61 1.276 6.134 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 61 1.284 4.196 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.466 2.664 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.571 4.106 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.604 3.958 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.933 2.880 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.026 4.189 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.611 4.460 -2.329 1.00 0.00 H new ATOM 951 N SER A 62 -0.377 7.496 -2.584 1.00 0.00 N ATOM 952 CA SER A 62 -1.541 8.160 -1.935 1.00 0.00 C ATOM 953 C SER A 62 -2.716 7.203 -1.967 1.00 0.00 C ATOM 954 O SER A 62 -2.539 6.014 -2.106 1.00 0.00 O ATOM 955 CB SER A 62 -1.894 9.441 -2.694 1.00 0.00 C ATOM 956 OG SER A 62 -2.987 9.188 -3.567 1.00 0.00 O ATOM 0 H SER A 62 -0.127 7.867 -3.501 1.00 0.00 H new ATOM 0 HA SER A 62 -1.299 8.420 -0.905 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.152 10.234 -1.991 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.032 9.788 -3.264 1.00 0.00 H new ATOM 0 HG SER A 62 -3.215 10.008 -4.052 1.00 0.00 H new ATOM 962 N PHE A 63 -3.910 7.697 -1.849 1.00 0.00 N ATOM 963 CA PHE A 63 -5.063 6.772 -1.891 1.00 0.00 C ATOM 964 C PHE A 63 -5.372 6.399 -3.313 1.00 0.00 C ATOM 965 O PHE A 63 -5.271 5.277 -3.631 1.00 0.00 O ATOM 966 CB PHE A 63 -6.318 7.373 -1.292 1.00 0.00 C ATOM 967 CG PHE A 63 -7.254 6.215 -1.237 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.836 5.092 -0.546 1.00 0.00 C ATOM 969 CD2 PHE A 63 -8.456 6.210 -1.933 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.616 3.948 -0.518 1.00 0.00 C ATOM 971 CE2 PHE A 63 -9.248 5.059 -1.928 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.830 3.919 -1.212 1.00 0.00 C ATOM 0 H PHE A 63 -4.135 8.684 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.777 5.901 -1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.133 7.789 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.712 8.181 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.891 5.107 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.776 7.089 -2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.288 3.082 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.180 5.043 -2.473 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.443 3.030 -1.199 1.00 0.00 H new ATOM 982 N GLU A 64 -5.768 7.316 -4.150 1.00 0.00 N ATOM 983 CA GLU A 64 -6.121 6.951 -5.573 1.00 0.00 C ATOM 984 C GLU A 64 -4.997 6.142 -6.241 1.00 0.00 C ATOM 985 O GLU A 64 -5.237 5.063 -6.743 1.00 0.00 O ATOM 986 CB GLU A 64 -6.395 8.230 -6.356 1.00 0.00 C ATOM 987 CG GLU A 64 -7.718 8.824 -5.863 1.00 0.00 C ATOM 988 CD GLU A 64 -8.197 9.898 -6.841 1.00 0.00 C ATOM 989 OE1 GLU A 64 -7.854 9.804 -8.009 1.00 0.00 O ATOM 990 OE2 GLU A 64 -8.899 10.796 -6.407 1.00 0.00 O ATOM 0 H GLU A 64 -5.866 8.305 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.011 6.322 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.583 8.943 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.449 8.017 -7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.469 8.039 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.587 9.255 -4.870 1.00 0.00 H new ATOM 997 N GLU A 65 -3.775 6.614 -6.253 1.00 0.00 N ATOM 998 CA GLU A 65 -2.701 5.790 -6.889 1.00 0.00 C ATOM 999 C GLU A 65 -2.820 4.381 -6.308 1.00 0.00 C ATOM 1000 O GLU A 65 -2.566 3.383 -6.953 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.328 6.377 -6.555 1.00 0.00 C ATOM 1002 CG GLU A 65 -0.307 5.920 -7.598 1.00 0.00 C ATOM 1003 CD GLU A 65 0.231 7.138 -8.351 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -0.424 7.571 -9.284 1.00 0.00 O ATOM 1005 OE2 GLU A 65 1.292 7.616 -7.982 1.00 0.00 O ATOM 0 H GLU A 65 -3.479 7.508 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.808 5.776 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.381 7.466 -6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.016 6.056 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.511 5.388 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.771 5.223 -8.296 1.00 0.00 H new ATOM 1012 N PHE A 66 -3.233 4.336 -5.078 1.00 0.00 N ATOM 1013 CA PHE A 66 -3.435 3.068 -4.338 1.00 0.00 C ATOM 1014 C PHE A 66 -4.885 2.602 -4.471 1.00 0.00 C ATOM 1015 O PHE A 66 -5.234 1.479 -4.225 1.00 0.00 O ATOM 1016 CB PHE A 66 -3.246 3.422 -2.860 1.00 0.00 C ATOM 1017 CG PHE A 66 -4.022 2.427 -2.074 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -5.402 2.610 -1.949 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -3.414 1.271 -1.621 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -6.170 1.637 -1.362 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -4.189 0.282 -1.050 1.00 0.00 C ATOM 1022 CZ PHE A 66 -5.561 0.471 -0.922 1.00 0.00 C ATOM 0 H PHE A 66 -3.449 5.169 -4.531 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.758 2.299 -4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.191 3.391 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.598 4.433 -2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.863 3.516 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.346 1.143 -1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.234 1.777 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.733 -0.634 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.163 -0.304 -0.472 1.00 0.00 H new ATOM 1032 N GLN A 67 -5.744 3.489 -4.691 1.00 0.00 N ATOM 1033 CA GLN A 67 -7.141 3.153 -4.657 1.00 0.00 C ATOM 1034 C GLN A 67 -7.384 2.063 -5.692 1.00 0.00 C ATOM 1035 O GLN A 67 -8.119 1.127 -5.451 1.00 0.00 O ATOM 1036 CB GLN A 67 -7.921 4.486 -4.780 1.00 0.00 C ATOM 1037 CG GLN A 67 -8.198 4.861 -6.234 1.00 0.00 C ATOM 1038 CD GLN A 67 -9.132 3.851 -6.780 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -9.436 3.839 -7.957 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -9.615 2.985 -5.964 1.00 0.00 N ATOM 0 H GLN A 67 -5.535 4.465 -4.900 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.506 2.706 -3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.865 4.403 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.351 5.284 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.632 5.859 -6.297 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.272 4.879 -6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.350 3.009 -4.979 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.264 2.273 -6.301 1.00 0.00 H new ATOM 1049 N VAL A 68 -6.719 2.117 -6.798 1.00 0.00 N ATOM 1050 CA VAL A 68 -6.865 1.011 -7.774 1.00 0.00 C ATOM 1051 C VAL A 68 -5.976 -0.127 -7.271 1.00 0.00 C ATOM 1052 O VAL A 68 -6.192 -1.283 -7.560 1.00 0.00 O ATOM 1053 CB VAL A 68 -6.429 1.452 -9.180 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -7.439 0.942 -10.209 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -6.363 2.981 -9.256 1.00 0.00 C ATOM 0 H VAL A 68 -6.086 2.869 -7.071 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.906 0.699 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.443 1.039 -9.391 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.131 1.254 -11.207 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.483 -0.146 -10.167 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.424 1.354 -9.988 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.053 3.283 -10.257 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.346 3.399 -9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.643 3.351 -8.526 1.00 0.00 H new ATOM 1065 N LEU A 69 -5.001 0.227 -6.479 1.00 0.00 N ATOM 1066 CA LEU A 69 -4.073 -0.769 -5.870 1.00 0.00 C ATOM 1067 C LEU A 69 -4.836 -1.992 -5.398 1.00 0.00 C ATOM 1068 O LEU A 69 -4.549 -3.108 -5.777 1.00 0.00 O ATOM 1069 CB LEU A 69 -3.416 -0.130 -4.659 1.00 0.00 C ATOM 1070 CG LEU A 69 -2.396 -1.067 -4.112 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.571 -1.719 -5.228 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -1.460 -0.346 -3.146 1.00 0.00 C ATOM 0 H LEU A 69 -4.804 1.194 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.336 -1.069 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.949 0.814 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.165 0.097 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.935 -1.849 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.837 -2.396 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.232 -2.279 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.056 -0.946 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.724 -1.050 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.949 0.462 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.038 0.066 -2.319 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.787 -1.784 -4.551 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.573 -2.926 -4.013 1.00 0.00 C ATOM 1086 C VAL A 70 -6.994 -3.846 -5.161 1.00 0.00 C ATOM 1087 O VAL A 70 -6.866 -5.051 -5.075 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.802 -2.400 -3.277 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -7.430 -2.130 -1.818 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -8.279 -1.098 -3.925 1.00 0.00 C ATOM 0 H VAL A 70 -6.062 -0.866 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.960 -3.494 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.601 -3.140 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.302 -1.754 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.090 -3.055 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.632 -1.389 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.157 -0.728 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.484 -0.354 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.537 -1.284 -4.968 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.477 -3.298 -6.242 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.873 -4.164 -7.388 1.00 0.00 C ATOM 1102 C LYS A 71 -6.614 -4.841 -7.928 1.00 0.00 C ATOM 1103 O LYS A 71 -6.627 -5.987 -8.329 1.00 0.00 O ATOM 1104 CB LYS A 71 -8.509 -3.312 -8.490 1.00 0.00 C ATOM 1105 CG LYS A 71 -9.468 -2.297 -7.867 1.00 0.00 C ATOM 1106 CD LYS A 71 -10.890 -2.570 -8.359 1.00 0.00 C ATOM 1107 CE LYS A 71 -11.579 -3.546 -7.406 1.00 0.00 C ATOM 1108 NZ LYS A 71 -12.605 -2.819 -6.605 1.00 0.00 N ATOM 0 H LYS A 71 -7.614 -2.297 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.597 -4.910 -7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.734 -2.795 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.045 -3.950 -9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.429 -2.364 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.167 -1.284 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.453 -1.638 -8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.864 -2.985 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.047 -4.352 -7.970 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.844 -4.005 -6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.074 -3.483 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.146 -2.065 -6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.312 -2.401 -7.243 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.523 -4.127 -7.926 1.00 0.00 N ATOM 1123 CA LYS A 72 -4.240 -4.693 -8.415 1.00 0.00 C ATOM 1124 C LYS A 72 -3.744 -5.742 -7.418 1.00 0.00 C ATOM 1125 O LYS A 72 -2.866 -6.529 -7.712 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.210 -3.565 -8.521 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.211 -3.878 -9.634 1.00 0.00 C ATOM 1128 CD LYS A 72 -1.791 -2.575 -10.320 1.00 0.00 C ATOM 1129 CE LYS A 72 -2.431 -2.498 -11.708 1.00 0.00 C ATOM 1130 NZ LYS A 72 -1.401 -2.783 -12.747 1.00 0.00 N ATOM 0 H LYS A 72 -5.468 -3.162 -7.601 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.382 -5.156 -9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.712 -2.620 -8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.686 -3.448 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.337 -4.383 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.659 -4.556 -10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.098 -1.720 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.705 -2.531 -10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.248 -3.216 -11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.860 -1.509 -11.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.836 -2.731 -13.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.636 -2.082 -12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.012 -3.736 -12.598 1.00 0.00 H new ATOM 1144 N ILE A 73 -4.300 -5.756 -6.237 1.00 0.00 N ATOM 1145 CA ILE A 73 -3.869 -6.740 -5.220 1.00 0.00 C ATOM 1146 C ILE A 73 -4.636 -8.048 -5.417 1.00 0.00 C ATOM 1147 O ILE A 73 -4.576 -8.954 -4.610 1.00 0.00 O ATOM 1148 CB ILE A 73 -4.157 -6.175 -3.829 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -3.183 -5.033 -3.522 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -3.992 -7.277 -2.786 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -3.714 -4.209 -2.344 1.00 0.00 C ATOM 0 H ILE A 73 -5.039 -5.121 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.801 -6.935 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.178 -5.796 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.198 -5.435 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.064 -4.397 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.197 -6.873 -1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.689 -8.087 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.971 -7.658 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.020 -3.397 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.689 -3.795 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.811 -4.849 -1.467 1.00 0.00 H new