USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot 118:sc= -0.943 USER MOD Set 1.2: A 48 THR OG1 : rot -170:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -5.63! C(o=-10!,f=-5.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.15 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -123:sc= -0.612 (180deg=-1.78) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 101:sc= 0.372 USER MOD Single : A 68 HIS : no HE2:sc= -2.86! C(o=-2.9!,f=-7.5!) USER MOD Single : A 69 TYR OH : rot 157:sc= -0.777 USER MOD Single : A 73 SER OG : rot -8:sc= 0.389 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.897 USER MOD Single : A 76 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00299) USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= -0.154 (180deg=-0.703) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -4.52! C(o=-4.5!,f=-5.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -2.28 F(o=-3.7!,f=-2.3) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 108 MET CE :methyl 180:sc= -0.424 (180deg=-0.424) USER MOD Single : A 110 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0.035) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 38 -0.236 15.788 -1.301 1.00 0.00 N ATOM 78 CA GLY A 38 -0.846 14.558 -1.773 1.00 0.00 C ATOM 79 C GLY A 38 -0.562 13.382 -0.860 1.00 0.00 C ATOM 80 O GLY A 38 -0.342 12.264 -1.326 1.00 0.00 O ATOM 0 HA2 GLY A 38 -1.924 14.699 -1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.477 14.334 -2.774 1.00 0.00 H new ATOM 84 N ARG A 39 -0.564 13.634 0.445 1.00 0.00 N ATOM 85 CA ARG A 39 -0.301 12.588 1.426 1.00 0.00 C ATOM 86 C ARG A 39 -1.507 11.665 1.573 1.00 0.00 C ATOM 87 O ARG A 39 -2.650 12.121 1.611 1.00 0.00 O ATOM 88 CB ARG A 39 0.050 13.206 2.781 1.00 0.00 C ATOM 89 CG ARG A 39 0.058 12.204 3.924 1.00 0.00 C ATOM 90 CD ARG A 39 -1.316 12.077 4.563 1.00 0.00 C ATOM 91 NE ARG A 39 -1.518 13.059 5.625 1.00 0.00 N ATOM 92 CZ ARG A 39 -0.921 12.994 6.810 1.00 0.00 C ATOM 93 NH1 ARG A 39 -0.088 11.999 7.082 1.00 0.00 N ATOM 94 NH2 ARG A 39 -1.155 13.926 7.725 1.00 0.00 N ATOM 0 H ARG A 39 -0.745 14.554 0.847 1.00 0.00 H new ATOM 0 HA ARG A 39 0.545 11.999 1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.032 13.675 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.666 13.996 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.380 11.231 3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.783 12.514 4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.084 12.205 3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.435 11.073 4.970 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.152 13.838 5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.096 11.281 6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.369 11.951 7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.794 14.694 7.519 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.696 13.875 8.634 1.00 0.00 H new ATOM 108 N LEU A 40 -1.244 10.365 1.654 1.00 0.00 N ATOM 109 CA LEU A 40 -2.307 9.377 1.797 1.00 0.00 C ATOM 110 C LEU A 40 -1.889 8.259 2.746 1.00 0.00 C ATOM 111 O LEU A 40 -0.701 7.974 2.900 1.00 0.00 O ATOM 112 CB LEU A 40 -2.673 8.792 0.431 1.00 0.00 C ATOM 113 CG LEU A 40 -3.092 9.799 -0.640 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.964 9.187 -2.027 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.516 10.277 -0.395 1.00 0.00 C ATOM 0 H LEU A 40 -0.304 9.971 1.623 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.179 9.877 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.817 8.230 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.486 8.080 0.569 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.426 10.660 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.267 9.918 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.928 8.895 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.605 8.308 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.797 10.993 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.196 9.426 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.576 10.755 0.583 1.00 0.00 H new ATOM 127 N PHE A 41 -2.872 7.628 3.379 1.00 0.00 N ATOM 128 CA PHE A 41 -2.606 6.540 4.313 1.00 0.00 C ATOM 129 C PHE A 41 -2.781 5.185 3.634 1.00 0.00 C ATOM 130 O PHE A 41 -3.827 4.902 3.050 1.00 0.00 O ATOM 131 CB PHE A 41 -3.536 6.640 5.524 1.00 0.00 C ATOM 132 CG PHE A 41 -3.398 5.492 6.482 1.00 0.00 C ATOM 133 CD1 PHE A 41 -2.146 5.014 6.835 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.520 4.890 7.030 1.00 0.00 C ATOM 135 CE1 PHE A 41 -2.016 3.957 7.717 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.395 3.834 7.912 1.00 0.00 C ATOM 137 CZ PHE A 41 -3.142 3.366 8.255 1.00 0.00 C ATOM 0 H PHE A 41 -3.860 7.851 3.262 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.573 6.628 4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.332 7.571 6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.568 6.691 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.262 5.472 6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.503 5.251 6.765 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.035 3.594 7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.277 3.375 8.333 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.043 2.539 8.943 1.00 0.00 H new ATOM 147 N VAL A 42 -1.749 4.352 3.714 1.00 0.00 N ATOM 148 CA VAL A 42 -1.787 3.026 3.108 1.00 0.00 C ATOM 149 C VAL A 42 -1.479 1.943 4.135 1.00 0.00 C ATOM 150 O VAL A 42 -0.626 2.123 5.005 1.00 0.00 O ATOM 151 CB VAL A 42 -0.787 2.913 1.942 1.00 0.00 C ATOM 152 CG1 VAL A 42 -0.866 1.535 1.303 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.043 4.003 0.913 1.00 0.00 C ATOM 0 H VAL A 42 -0.876 4.572 4.193 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.797 2.882 2.725 1.00 0.00 H new ATOM 0 HB VAL A 42 0.221 3.047 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.153 1.474 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.629 0.775 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.873 1.368 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.327 3.908 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.055 3.903 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.930 4.980 1.382 1.00 0.00 H new ATOM 163 N ARG A 43 -2.178 0.818 4.029 1.00 0.00 N ATOM 164 CA ARG A 43 -1.979 -0.295 4.950 1.00 0.00 C ATOM 165 C ARG A 43 -2.073 -1.630 4.217 1.00 0.00 C ATOM 166 O ARG A 43 -2.404 -1.678 3.033 1.00 0.00 O ATOM 167 CB ARG A 43 -3.015 -0.245 6.075 1.00 0.00 C ATOM 168 CG ARG A 43 -4.422 -0.600 5.623 1.00 0.00 C ATOM 169 CD ARG A 43 -5.418 -0.491 6.767 1.00 0.00 C ATOM 170 NE ARG A 43 -5.149 -1.464 7.822 1.00 0.00 N ATOM 171 CZ ARG A 43 -5.835 -1.525 8.958 1.00 0.00 C ATOM 172 NH1 ARG A 43 -6.826 -0.674 9.185 1.00 0.00 N ATOM 173 NH2 ARG A 43 -5.530 -2.439 9.870 1.00 0.00 N ATOM 0 H ARG A 43 -2.887 0.653 3.315 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.981 -0.205 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.713 -0.931 6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.023 0.756 6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.723 0.063 4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.433 -1.615 5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.382 0.515 7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.427 -0.641 6.384 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.393 -2.134 7.679 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.064 0.030 8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.351 -0.724 10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.768 -3.096 9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.057 -2.485 10.742 1.00 0.00 H new ATOM 187 N ASN A 44 -1.778 -2.712 4.929 1.00 0.00 N ATOM 188 CA ASN A 44 -1.827 -4.048 4.347 1.00 0.00 C ATOM 189 C ASN A 44 -0.643 -4.279 3.413 1.00 0.00 C ATOM 190 O ASN A 44 -0.808 -4.756 2.289 1.00 0.00 O ATOM 191 CB ASN A 44 -3.139 -4.246 3.584 1.00 0.00 C ATOM 192 CG ASN A 44 -3.550 -5.704 3.509 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.395 -6.303 2.334 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -4.001 -6.284 4.497 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.502 -2.690 5.911 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.773 -4.773 5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.929 -3.673 4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.033 -3.849 2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.103 -5.784 5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.273 -7.265 4.433 1.00 0.00 H new ATOM 201 N LEU A 45 0.551 -3.937 3.885 1.00 0.00 N ATOM 202 CA LEU A 45 1.764 -4.107 3.093 1.00 0.00 C ATOM 203 C LEU A 45 2.375 -5.486 3.322 1.00 0.00 C ATOM 204 O LEU A 45 2.550 -5.917 4.461 1.00 0.00 O ATOM 205 CB LEU A 45 2.782 -3.021 3.444 1.00 0.00 C ATOM 206 CG LEU A 45 2.709 -1.738 2.614 1.00 0.00 C ATOM 207 CD1 LEU A 45 3.011 -2.030 1.153 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.340 -1.088 2.757 1.00 0.00 C ATOM 0 H LEU A 45 0.705 -3.540 4.812 1.00 0.00 H new ATOM 0 HA LEU A 45 1.496 -4.019 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.655 -2.758 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.782 -3.441 3.339 1.00 0.00 H new ATOM 0 HG LEU A 45 3.461 -1.043 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.954 -1.106 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.013 -2.451 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.283 -2.743 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.306 -0.177 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.571 -1.778 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.161 -0.843 3.804 1.00 0.00 H new ATOM 220 N SER A 46 2.700 -6.172 2.231 1.00 0.00 N ATOM 221 CA SER A 46 3.290 -7.503 2.312 1.00 0.00 C ATOM 222 C SER A 46 4.756 -7.422 2.727 1.00 0.00 C ATOM 223 O SER A 46 5.541 -6.680 2.135 1.00 0.00 O ATOM 224 CB SER A 46 3.168 -8.221 0.967 1.00 0.00 C ATOM 225 OG SER A 46 3.696 -7.430 -0.083 1.00 0.00 O ATOM 0 H SER A 46 2.565 -5.828 1.280 1.00 0.00 H new ATOM 0 HA SER A 46 2.746 -8.069 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.697 -9.173 1.010 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.121 -8.447 0.765 1.00 0.00 H new ATOM 0 HG SER A 46 4.452 -7.897 -0.496 1.00 0.00 H new ATOM 231 N TYR A 47 5.119 -8.190 3.748 1.00 0.00 N ATOM 232 CA TYR A 47 6.489 -8.205 4.245 1.00 0.00 C ATOM 233 C TYR A 47 7.475 -8.495 3.117 1.00 0.00 C ATOM 234 O TYR A 47 8.674 -8.244 3.243 1.00 0.00 O ATOM 235 CB TYR A 47 6.642 -9.250 5.352 1.00 0.00 C ATOM 236 CG TYR A 47 5.394 -9.436 6.185 1.00 0.00 C ATOM 237 CD1 TYR A 47 5.018 -8.491 7.131 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.589 -10.558 6.025 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.879 -8.658 7.894 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.447 -10.733 6.783 1.00 0.00 C ATOM 241 CZ TYR A 47 3.097 -9.780 7.716 1.00 0.00 C ATOM 242 OH TYR A 47 1.961 -9.949 8.474 1.00 0.00 O ATOM 0 H TYR A 47 4.483 -8.811 4.248 1.00 0.00 H new ATOM 0 HA TYR A 47 6.711 -7.219 4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.915 -10.205 4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.464 -8.958 6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.627 -7.610 7.272 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.861 -11.306 5.295 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.602 -7.914 8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.833 -11.610 6.646 1.00 0.00 H new ATOM 0 HH TYR A 47 1.523 -10.790 8.225 1.00 0.00 H new ATOM 252 N THR A 48 6.960 -9.026 2.013 1.00 0.00 N ATOM 253 CA THR A 48 7.792 -9.352 0.861 1.00 0.00 C ATOM 254 C THR A 48 8.132 -8.102 0.058 1.00 0.00 C ATOM 255 O THR A 48 9.182 -8.030 -0.582 1.00 0.00 O ATOM 256 CB THR A 48 7.099 -10.370 -0.063 1.00 0.00 C ATOM 257 OG1 THR A 48 5.922 -9.790 -0.636 1.00 0.00 O ATOM 258 CG2 THR A 48 6.728 -11.631 0.702 1.00 0.00 C ATOM 0 H THR A 48 5.970 -9.240 1.892 1.00 0.00 H new ATOM 0 HA THR A 48 8.710 -9.792 1.249 1.00 0.00 H new ATOM 0 HB THR A 48 7.795 -10.638 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.404 -10.485 -1.093 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.240 -12.335 0.028 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.630 -12.087 1.112 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.048 -11.376 1.515 1.00 0.00 H new ATOM 266 N SER A 49 7.239 -7.118 0.096 1.00 0.00 N ATOM 267 CA SER A 49 7.444 -5.872 -0.632 1.00 0.00 C ATOM 268 C SER A 49 8.724 -5.179 -0.175 1.00 0.00 C ATOM 269 O SER A 49 9.203 -5.406 0.936 1.00 0.00 O ATOM 270 CB SER A 49 6.247 -4.939 -0.434 1.00 0.00 C ATOM 271 OG SER A 49 6.287 -3.858 -1.350 1.00 0.00 O ATOM 0 H SER A 49 6.367 -7.160 0.623 1.00 0.00 H new ATOM 0 HA SER A 49 7.540 -6.110 -1.691 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.320 -5.498 -0.566 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.245 -4.556 0.586 1.00 0.00 H new ATOM 0 HG SER A 49 5.511 -3.277 -1.205 1.00 0.00 H new ATOM 277 N SER A 50 9.273 -4.333 -1.040 1.00 0.00 N ATOM 278 CA SER A 50 10.500 -3.610 -0.728 1.00 0.00 C ATOM 279 C SER A 50 10.282 -2.103 -0.823 1.00 0.00 C ATOM 280 O SER A 50 9.597 -1.621 -1.725 1.00 0.00 O ATOM 281 CB SER A 50 11.623 -4.035 -1.676 1.00 0.00 C ATOM 282 OG SER A 50 11.795 -5.441 -1.666 1.00 0.00 O ATOM 0 H SER A 50 8.888 -4.131 -1.963 1.00 0.00 H new ATOM 0 HA SER A 50 10.786 -3.854 0.295 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.395 -3.701 -2.688 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.554 -3.550 -1.383 1.00 0.00 H new ATOM 0 HG SER A 50 12.517 -5.687 -2.281 1.00 0.00 H new ATOM 288 N GLU A 51 10.869 -1.365 0.114 1.00 0.00 N ATOM 289 CA GLU A 51 10.738 0.087 0.136 1.00 0.00 C ATOM 290 C GLU A 51 10.846 0.664 -1.273 1.00 0.00 C ATOM 291 O GLU A 51 10.308 1.734 -1.558 1.00 0.00 O ATOM 292 CB GLU A 51 11.811 0.704 1.035 1.00 0.00 C ATOM 293 CG GLU A 51 11.407 2.041 1.635 1.00 0.00 C ATOM 294 CD GLU A 51 12.595 2.947 1.893 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.358 3.210 0.940 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.762 3.393 3.047 1.00 0.00 O ATOM 0 H GLU A 51 11.440 -1.749 0.867 1.00 0.00 H new ATOM 0 HA GLU A 51 9.754 0.332 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.042 0.008 1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.726 0.836 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.712 2.542 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.876 1.869 2.571 1.00 0.00 H new ATOM 303 N GLU A 52 11.545 -0.052 -2.148 1.00 0.00 N ATOM 304 CA GLU A 52 11.725 0.390 -3.526 1.00 0.00 C ATOM 305 C GLU A 52 10.564 -0.073 -4.401 1.00 0.00 C ATOM 306 O GLU A 52 10.077 0.673 -5.251 1.00 0.00 O ATOM 307 CB GLU A 52 13.045 -0.140 -4.087 1.00 0.00 C ATOM 308 CG GLU A 52 13.264 0.199 -5.552 1.00 0.00 C ATOM 309 CD GLU A 52 12.614 -0.802 -6.487 1.00 0.00 C ATOM 310 OE1 GLU A 52 12.030 -1.787 -5.987 1.00 0.00 O ATOM 311 OE2 GLU A 52 12.689 -0.601 -7.717 1.00 0.00 O ATOM 0 H GLU A 52 11.996 -0.940 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 52 11.749 1.480 -3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.869 0.268 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.073 -1.223 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.864 1.192 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.334 0.239 -5.756 1.00 0.00 H new ATOM 318 N ASP A 53 10.127 -1.309 -4.188 1.00 0.00 N ATOM 319 CA ASP A 53 9.023 -1.873 -4.957 1.00 0.00 C ATOM 320 C ASP A 53 7.786 -0.987 -4.861 1.00 0.00 C ATOM 321 O ASP A 53 7.026 -0.857 -5.822 1.00 0.00 O ATOM 322 CB ASP A 53 8.696 -3.282 -4.461 1.00 0.00 C ATOM 323 CG ASP A 53 8.049 -4.138 -5.532 1.00 0.00 C ATOM 324 OD1 ASP A 53 7.471 -3.565 -6.479 1.00 0.00 O ATOM 325 OD2 ASP A 53 8.120 -5.380 -5.423 1.00 0.00 O ATOM 0 H ASP A 53 10.520 -1.940 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 53 9.330 -1.926 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.611 -3.765 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.029 -3.216 -3.601 1.00 0.00 H new ATOM 330 N LEU A 54 7.588 -0.379 -3.696 1.00 0.00 N ATOM 331 CA LEU A 54 6.441 0.495 -3.474 1.00 0.00 C ATOM 332 C LEU A 54 6.546 1.758 -4.324 1.00 0.00 C ATOM 333 O LEU A 54 5.657 2.057 -5.119 1.00 0.00 O ATOM 334 CB LEU A 54 6.339 0.870 -1.995 1.00 0.00 C ATOM 335 CG LEU A 54 5.706 -0.178 -1.079 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.876 0.215 0.380 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.233 -0.360 -1.417 1.00 0.00 C ATOM 0 H LEU A 54 8.207 -0.475 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 54 5.542 -0.046 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.341 1.088 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.762 1.791 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 54 6.215 -1.128 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.419 -0.543 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.938 0.294 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.393 1.176 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.798 -1.109 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.710 0.587 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.135 -0.688 -2.452 1.00 0.00 H new ATOM 349 N GLU A 55 7.641 2.492 -4.151 1.00 0.00 N ATOM 350 CA GLU A 55 7.862 3.722 -4.903 1.00 0.00 C ATOM 351 C GLU A 55 7.421 3.558 -6.355 1.00 0.00 C ATOM 352 O GLU A 55 6.724 4.411 -6.904 1.00 0.00 O ATOM 353 CB GLU A 55 9.338 4.120 -4.849 1.00 0.00 C ATOM 354 CG GLU A 55 9.681 5.031 -3.682 1.00 0.00 C ATOM 355 CD GLU A 55 9.543 6.500 -4.028 1.00 0.00 C ATOM 356 OE1 GLU A 55 9.660 6.842 -5.223 1.00 0.00 O ATOM 357 OE2 GLU A 55 9.320 7.309 -3.103 1.00 0.00 O ATOM 0 H GLU A 55 8.388 2.257 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 55 7.263 4.510 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.947 3.218 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.605 4.620 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.029 4.797 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.703 4.832 -3.359 1.00 0.00 H new ATOM 364 N LYS A 56 7.832 2.455 -6.971 1.00 0.00 N ATOM 365 CA LYS A 56 7.480 2.176 -8.358 1.00 0.00 C ATOM 366 C LYS A 56 5.977 1.967 -8.507 1.00 0.00 C ATOM 367 O LYS A 56 5.351 2.513 -9.416 1.00 0.00 O ATOM 368 CB LYS A 56 8.230 0.939 -8.857 1.00 0.00 C ATOM 369 CG LYS A 56 9.705 1.187 -9.122 1.00 0.00 C ATOM 370 CD LYS A 56 10.429 -0.097 -9.490 1.00 0.00 C ATOM 371 CE LYS A 56 10.067 -1.232 -8.543 1.00 0.00 C ATOM 372 NZ LYS A 56 8.880 -1.994 -9.020 1.00 0.00 N ATOM 0 H LYS A 56 8.410 1.739 -6.531 1.00 0.00 H new ATOM 0 HA LYS A 56 7.770 3.037 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.131 0.143 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.759 0.585 -9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.814 1.911 -9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.166 1.625 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.175 -0.379 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.506 0.071 -9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.917 -1.908 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.864 -0.827 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.143 -1.984 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.511 -1.554 -9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.156 -2.977 -9.221 1.00 0.00 H new ATOM 386 N LEU A 57 5.403 1.175 -7.608 1.00 0.00 N ATOM 387 CA LEU A 57 3.971 0.895 -7.638 1.00 0.00 C ATOM 388 C LEU A 57 3.165 2.188 -7.706 1.00 0.00 C ATOM 389 O LEU A 57 2.415 2.416 -8.656 1.00 0.00 O ATOM 390 CB LEU A 57 3.563 0.090 -6.403 1.00 0.00 C ATOM 391 CG LEU A 57 2.061 -0.005 -6.131 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.373 -0.822 -7.214 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.806 -0.613 -4.759 1.00 0.00 C ATOM 0 H LEU A 57 5.907 0.715 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 57 3.759 0.309 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.958 -0.921 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.043 0.533 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 57 1.644 1.002 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.305 -0.879 -7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.527 -0.346 -8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.793 -1.828 -7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.732 -0.673 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.237 -1.613 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.266 0.012 -3.993 1.00 0.00 H new ATOM 405 N PHE A 58 3.325 3.033 -6.693 1.00 0.00 N ATOM 406 CA PHE A 58 2.613 4.304 -6.638 1.00 0.00 C ATOM 407 C PHE A 58 3.117 5.257 -7.718 1.00 0.00 C ATOM 408 O PHE A 58 2.335 5.971 -8.345 1.00 0.00 O ATOM 409 CB PHE A 58 2.778 4.946 -5.259 1.00 0.00 C ATOM 410 CG PHE A 58 2.171 4.140 -4.146 1.00 0.00 C ATOM 411 CD1 PHE A 58 2.901 3.144 -3.517 1.00 0.00 C ATOM 412 CD2 PHE A 58 0.871 4.377 -3.730 1.00 0.00 C ATOM 413 CE1 PHE A 58 2.345 2.401 -2.492 1.00 0.00 C ATOM 414 CE2 PHE A 58 0.310 3.637 -2.706 1.00 0.00 C ATOM 415 CZ PHE A 58 1.048 2.647 -2.087 1.00 0.00 C ATOM 0 H PHE A 58 3.942 2.860 -5.899 1.00 0.00 H new ATOM 0 HA PHE A 58 1.556 4.107 -6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.840 5.087 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.322 5.936 -5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.915 2.946 -3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.289 5.149 -4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.925 1.629 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.704 3.833 -2.390 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.611 2.066 -1.288 1.00 0.00 H new ATOM 425 N SER A 59 4.429 5.262 -7.929 1.00 0.00 N ATOM 426 CA SER A 59 5.039 6.130 -8.930 1.00 0.00 C ATOM 427 C SER A 59 4.265 6.073 -10.243 1.00 0.00 C ATOM 428 O SER A 59 4.011 7.100 -10.871 1.00 0.00 O ATOM 429 CB SER A 59 6.496 5.726 -9.166 1.00 0.00 C ATOM 430 OG SER A 59 6.970 6.227 -10.404 1.00 0.00 O ATOM 0 H SER A 59 5.090 4.675 -7.420 1.00 0.00 H new ATOM 0 HA SER A 59 5.009 7.153 -8.555 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.118 6.105 -8.355 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.582 4.639 -9.153 1.00 0.00 H new ATOM 0 HG SER A 59 7.903 5.957 -10.531 1.00 0.00 H new ATOM 436 N ALA A 60 3.892 4.865 -10.651 1.00 0.00 N ATOM 437 CA ALA A 60 3.144 4.673 -11.887 1.00 0.00 C ATOM 438 C ALA A 60 2.062 5.735 -12.045 1.00 0.00 C ATOM 439 O ALA A 60 1.748 6.155 -13.159 1.00 0.00 O ATOM 440 CB ALA A 60 2.530 3.281 -11.922 1.00 0.00 C ATOM 0 H ALA A 60 4.096 4.004 -10.143 1.00 0.00 H new ATOM 0 HA ALA A 60 3.838 4.773 -12.721 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.974 3.152 -12.851 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.321 2.533 -11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.854 3.160 -11.075 1.00 0.00 H new ATOM 446 N TYR A 61 1.494 6.165 -10.924 1.00 0.00 N ATOM 447 CA TYR A 61 0.444 7.176 -10.939 1.00 0.00 C ATOM 448 C TYR A 61 1.034 8.572 -11.113 1.00 0.00 C ATOM 449 O TYR A 61 0.496 9.399 -11.848 1.00 0.00 O ATOM 450 CB TYR A 61 -0.372 7.113 -9.646 1.00 0.00 C ATOM 451 CG TYR A 61 -1.175 5.840 -9.498 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.429 5.715 -10.083 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.679 4.763 -8.774 1.00 0.00 C ATOM 454 CE1 TYR A 61 -3.166 4.555 -9.950 1.00 0.00 C ATOM 455 CE2 TYR A 61 -1.409 3.598 -8.637 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.652 3.499 -9.227 1.00 0.00 C ATOM 457 OH TYR A 61 -3.382 2.340 -9.091 1.00 0.00 O ATOM 0 H TYR A 61 1.743 5.829 -9.994 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.211 6.970 -11.785 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.303 7.208 -8.795 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.050 7.966 -9.612 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.834 6.539 -10.651 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.294 4.838 -8.310 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.140 4.475 -10.410 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.009 2.770 -8.071 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.876 1.696 -8.553 1.00 0.00 H new ATOM 467 N GLY A 62 2.146 8.827 -10.430 1.00 0.00 N ATOM 468 CA GLY A 62 2.793 10.123 -10.522 1.00 0.00 C ATOM 469 C GLY A 62 4.072 10.192 -9.711 1.00 0.00 C ATOM 470 O GLY A 62 4.486 9.218 -9.081 1.00 0.00 O ATOM 0 H GLY A 62 2.610 8.159 -9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.017 10.341 -11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.105 10.894 -10.176 1.00 0.00 H new ATOM 474 N PRO A 63 4.722 11.365 -9.722 1.00 0.00 N ATOM 475 CA PRO A 63 5.972 11.584 -8.988 1.00 0.00 C ATOM 476 C PRO A 63 5.761 11.603 -7.478 1.00 0.00 C ATOM 477 O PRO A 63 4.922 12.346 -6.967 1.00 0.00 O ATOM 478 CB PRO A 63 6.436 12.957 -9.481 1.00 0.00 C ATOM 479 CG PRO A 63 5.188 13.645 -9.916 1.00 0.00 C ATOM 480 CD PRO A 63 4.286 12.568 -10.452 1.00 0.00 C ATOM 0 HA PRO A 63 6.694 10.786 -9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.939 13.513 -8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.144 12.863 -10.304 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.719 14.167 -9.082 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.401 14.392 -10.681 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.236 12.793 -10.265 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.400 12.448 -11.529 1.00 0.00 H new ATOM 488 N LEU A 64 6.529 10.783 -6.769 1.00 0.00 N ATOM 489 CA LEU A 64 6.427 10.706 -5.315 1.00 0.00 C ATOM 490 C LEU A 64 7.301 11.765 -4.651 1.00 0.00 C ATOM 491 O LEU A 64 8.458 11.954 -5.028 1.00 0.00 O ATOM 492 CB LEU A 64 6.833 9.314 -4.829 1.00 0.00 C ATOM 493 CG LEU A 64 6.103 8.137 -5.476 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.697 6.817 -5.009 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.615 8.195 -5.162 1.00 0.00 C ATOM 0 H LEU A 64 7.229 10.163 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 64 5.390 10.892 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.903 9.190 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.674 9.267 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 64 6.229 8.206 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.164 5.991 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.750 6.774 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.603 6.738 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.111 7.350 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.469 8.152 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.198 9.125 -5.548 1.00 0.00 H new ATOM 507 N SER A 65 6.741 12.451 -3.660 1.00 0.00 N ATOM 508 CA SER A 65 7.470 13.491 -2.944 1.00 0.00 C ATOM 509 C SER A 65 8.283 12.896 -1.798 1.00 0.00 C ATOM 510 O SER A 65 9.440 13.258 -1.592 1.00 0.00 O ATOM 511 CB SER A 65 6.499 14.542 -2.402 1.00 0.00 C ATOM 512 OG SER A 65 7.185 15.541 -1.667 1.00 0.00 O ATOM 0 H SER A 65 5.785 12.305 -3.335 1.00 0.00 H new ATOM 0 HA SER A 65 8.157 13.966 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.958 15.002 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.758 14.061 -1.764 1.00 0.00 H new ATOM 0 HG SER A 65 7.294 16.340 -2.224 1.00 0.00 H new ATOM 518 N GLU A 66 7.666 11.980 -1.057 1.00 0.00 N ATOM 519 CA GLU A 66 8.332 11.335 0.068 1.00 0.00 C ATOM 520 C GLU A 66 7.685 9.989 0.384 1.00 0.00 C ATOM 521 O GLU A 66 6.487 9.799 0.174 1.00 0.00 O ATOM 522 CB GLU A 66 8.287 12.237 1.303 1.00 0.00 C ATOM 523 CG GLU A 66 8.983 11.645 2.516 1.00 0.00 C ATOM 524 CD GLU A 66 10.482 11.878 2.500 1.00 0.00 C ATOM 525 OE1 GLU A 66 10.898 13.054 2.450 1.00 0.00 O ATOM 526 OE2 GLU A 66 11.237 10.884 2.536 1.00 0.00 O ATOM 0 H GLU A 66 6.708 11.669 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 66 9.372 11.163 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.750 13.194 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.246 12.441 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.561 12.081 3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.786 10.574 2.557 1.00 0.00 H new ATOM 533 N LEU A 67 8.487 9.058 0.889 1.00 0.00 N ATOM 534 CA LEU A 67 7.994 7.729 1.235 1.00 0.00 C ATOM 535 C LEU A 67 8.213 7.435 2.715 1.00 0.00 C ATOM 536 O LEU A 67 9.189 7.890 3.312 1.00 0.00 O ATOM 537 CB LEU A 67 8.693 6.668 0.383 1.00 0.00 C ATOM 538 CG LEU A 67 8.148 5.244 0.505 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.895 5.078 -0.341 1.00 0.00 C ATOM 540 CD2 LEU A 67 9.208 4.231 0.097 1.00 0.00 C ATOM 0 H LEU A 67 9.481 9.199 1.068 1.00 0.00 H new ATOM 0 HA LEU A 67 6.923 7.701 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.631 6.971 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.750 6.655 0.649 1.00 0.00 H new ATOM 0 HG LEU A 67 7.884 5.064 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.521 4.059 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.132 5.779 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.133 5.277 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.803 3.223 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.503 4.410 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.078 4.334 0.745 1.00 0.00 H new ATOM 552 N HIS A 68 7.298 6.669 3.302 1.00 0.00 N ATOM 553 CA HIS A 68 7.392 6.312 4.713 1.00 0.00 C ATOM 554 C HIS A 68 7.138 4.821 4.914 1.00 0.00 C ATOM 555 O HIS A 68 5.992 4.371 4.915 1.00 0.00 O ATOM 556 CB HIS A 68 6.393 7.126 5.535 1.00 0.00 C ATOM 557 CG HIS A 68 6.261 6.659 6.952 1.00 0.00 C ATOM 558 ND1 HIS A 68 5.644 5.476 7.300 1.00 0.00 N ATOM 559 CD2 HIS A 68 6.673 7.222 8.112 1.00 0.00 C ATOM 560 CE1 HIS A 68 5.680 5.333 8.613 1.00 0.00 C ATOM 561 NE2 HIS A 68 6.300 6.379 9.129 1.00 0.00 N ATOM 0 H HIS A 68 6.484 6.284 2.823 1.00 0.00 H new ATOM 0 HA HIS A 68 8.402 6.540 5.053 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.700 8.172 5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.416 7.080 5.054 1.00 0.00 H new ATOM 0 HD1 HIS A 68 5.225 4.815 6.646 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.198 8.160 8.218 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.272 4.502 9.170 1.00 0.00 H new ATOM 570 N TYR A 69 8.214 4.060 5.082 1.00 0.00 N ATOM 571 CA TYR A 69 8.107 2.619 5.280 1.00 0.00 C ATOM 572 C TYR A 69 8.673 2.212 6.637 1.00 0.00 C ATOM 573 O TYR A 69 9.883 2.067 6.816 1.00 0.00 O ATOM 574 CB TYR A 69 8.842 1.874 4.165 1.00 0.00 C ATOM 575 CG TYR A 69 8.324 0.473 3.929 1.00 0.00 C ATOM 576 CD1 TYR A 69 6.973 0.240 3.703 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.185 -0.617 3.933 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.495 -1.038 3.488 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.717 -1.898 3.717 1.00 0.00 C ATOM 580 CZ TYR A 69 7.371 -2.104 3.495 1.00 0.00 C ATOM 581 OH TYR A 69 6.900 -3.379 3.282 1.00 0.00 O ATOM 0 H TYR A 69 9.170 4.417 5.085 1.00 0.00 H new ATOM 0 HA TYR A 69 7.051 2.352 5.252 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.756 2.445 3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.903 1.824 4.411 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.285 1.072 3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.239 -0.460 4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.442 -1.202 3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.401 -2.734 3.722 1.00 0.00 H new ATOM 0 HH TYR A 69 7.630 -3.947 2.958 1.00 0.00 H new ATOM 591 N PRO A 70 7.778 2.023 7.618 1.00 0.00 N ATOM 592 CA PRO A 70 8.163 1.629 8.976 1.00 0.00 C ATOM 593 C PRO A 70 8.681 0.197 9.040 1.00 0.00 C ATOM 594 O PRO A 70 8.110 -0.707 8.429 1.00 0.00 O ATOM 595 CB PRO A 70 6.859 1.762 9.767 1.00 0.00 C ATOM 596 CG PRO A 70 5.782 1.594 8.752 1.00 0.00 C ATOM 597 CD PRO A 70 6.320 2.178 7.476 1.00 0.00 C ATOM 0 HA PRO A 70 8.977 2.242 9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.790 1.004 10.547 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.792 2.732 10.259 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.528 0.542 8.623 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.871 2.106 9.062 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.943 1.648 6.601 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.036 3.224 7.362 1.00 0.00 H new ATOM 605 N ILE A 71 9.765 -0.003 9.782 1.00 0.00 N ATOM 606 CA ILE A 71 10.359 -1.327 9.925 1.00 0.00 C ATOM 607 C ILE A 71 10.878 -1.545 11.342 1.00 0.00 C ATOM 608 O ILE A 71 11.658 -0.745 11.859 1.00 0.00 O ATOM 609 CB ILE A 71 11.514 -1.537 8.929 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.059 -1.198 7.508 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.022 -2.969 9.001 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.191 -2.265 6.881 1.00 0.00 C ATOM 0 H ILE A 71 10.250 0.734 10.293 1.00 0.00 H new ATOM 0 HA ILE A 71 9.572 -2.051 9.713 1.00 0.00 H new ATOM 0 HB ILE A 71 12.332 -0.868 9.198 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.508 -0.257 7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.937 -1.041 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.838 -3.102 8.291 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.380 -3.178 10.009 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.212 -3.655 8.755 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.906 -1.957 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.746 -3.202 6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.295 -2.406 7.485 1.00 0.00 H new ATOM 624 N ASP A 72 10.443 -2.635 11.964 1.00 0.00 N ATOM 625 CA ASP A 72 10.866 -2.962 13.321 1.00 0.00 C ATOM 626 C ASP A 72 12.387 -2.949 13.434 1.00 0.00 C ATOM 627 O ASP A 72 13.093 -3.307 12.490 1.00 0.00 O ATOM 628 CB ASP A 72 10.323 -4.332 13.731 1.00 0.00 C ATOM 629 CG ASP A 72 10.207 -4.481 15.235 1.00 0.00 C ATOM 630 OD1 ASP A 72 11.131 -4.038 15.949 1.00 0.00 O ATOM 631 OD2 ASP A 72 9.192 -5.043 15.700 1.00 0.00 O ATOM 0 H ASP A 72 9.797 -3.308 11.550 1.00 0.00 H new ATOM 0 HA ASP A 72 10.463 -2.204 13.993 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.343 -4.482 13.277 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.978 -5.111 13.341 1.00 0.00 H new ATOM 636 N SER A 73 12.886 -2.534 14.594 1.00 0.00 N ATOM 637 CA SER A 73 14.324 -2.470 14.828 1.00 0.00 C ATOM 638 C SER A 73 14.861 -3.823 15.286 1.00 0.00 C ATOM 639 O SER A 73 16.072 -4.041 15.331 1.00 0.00 O ATOM 640 CB SER A 73 14.644 -1.401 15.874 1.00 0.00 C ATOM 641 OG SER A 73 15.987 -1.505 16.315 1.00 0.00 O ATOM 0 H SER A 73 12.316 -2.237 15.386 1.00 0.00 H new ATOM 0 HA SER A 73 14.809 -2.206 13.888 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.472 -0.411 15.451 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.970 -1.506 16.724 1.00 0.00 H new ATOM 0 HG SER A 73 16.388 -2.322 15.952 1.00 0.00 H new ATOM 647 N LEU A 74 13.950 -4.728 15.627 1.00 0.00 N ATOM 648 CA LEU A 74 14.330 -6.061 16.083 1.00 0.00 C ATOM 649 C LEU A 74 14.147 -7.089 14.971 1.00 0.00 C ATOM 650 O LEU A 74 15.094 -7.773 14.579 1.00 0.00 O ATOM 651 CB LEU A 74 13.500 -6.460 17.304 1.00 0.00 C ATOM 652 CG LEU A 74 13.168 -5.336 18.286 1.00 0.00 C ATOM 653 CD1 LEU A 74 12.105 -5.789 19.275 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.421 -4.879 19.018 1.00 0.00 C ATOM 0 H LEU A 74 12.944 -4.563 15.596 1.00 0.00 H new ATOM 0 HA LEU A 74 15.384 -6.037 16.361 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.565 -6.899 16.955 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.036 -7.240 17.844 1.00 0.00 H new ATOM 0 HG LEU A 74 12.774 -4.491 17.722 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.881 -4.976 19.966 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.200 -6.066 18.735 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.471 -6.650 19.834 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.165 -4.079 19.712 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.846 -5.717 19.571 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.151 -4.513 18.296 1.00 0.00 H new ATOM 666 N THR A 75 12.923 -7.193 14.464 1.00 0.00 N ATOM 667 CA THR A 75 12.615 -8.137 13.396 1.00 0.00 C ATOM 668 C THR A 75 13.139 -7.639 12.054 1.00 0.00 C ATOM 669 O THR A 75 13.330 -8.420 11.122 1.00 0.00 O ATOM 670 CB THR A 75 11.099 -8.382 13.283 1.00 0.00 C ATOM 671 OG1 THR A 75 10.453 -7.221 12.751 1.00 0.00 O ATOM 672 CG2 THR A 75 10.503 -8.723 14.641 1.00 0.00 C ATOM 0 H THR A 75 12.128 -6.635 14.776 1.00 0.00 H new ATOM 0 HA THR A 75 13.109 -9.075 13.651 1.00 0.00 H new ATOM 0 HB THR A 75 10.939 -9.226 12.611 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.490 -7.386 12.681 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.431 -8.892 14.536 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.976 -9.625 15.030 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.674 -7.897 15.331 1.00 0.00 H new ATOM 680 N LYS A 76 13.371 -6.334 11.963 1.00 0.00 N ATOM 681 CA LYS A 76 13.876 -5.730 10.735 1.00 0.00 C ATOM 682 C LYS A 76 12.879 -5.904 9.594 1.00 0.00 C ATOM 683 O LYS A 76 13.265 -6.027 8.431 1.00 0.00 O ATOM 684 CB LYS A 76 15.220 -6.353 10.351 1.00 0.00 C ATOM 685 CG LYS A 76 16.274 -6.243 11.438 1.00 0.00 C ATOM 686 CD LYS A 76 16.963 -4.889 11.412 1.00 0.00 C ATOM 687 CE LYS A 76 18.292 -4.925 12.151 1.00 0.00 C ATOM 688 NZ LYS A 76 19.363 -5.560 11.335 1.00 0.00 N ATOM 0 H LYS A 76 13.217 -5.674 12.725 1.00 0.00 H new ATOM 0 HA LYS A 76 14.015 -4.664 10.914 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.068 -7.405 10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.590 -5.869 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.811 -6.398 12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.015 -7.032 11.309 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.128 -4.584 10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.313 -4.140 11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.589 -3.910 12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.173 -5.474 13.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.051 -6.022 11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.942 -6.269 10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.845 -4.833 10.769 1.00 0.00 H new ATOM 702 N LYS A 77 11.594 -5.911 9.933 1.00 0.00 N ATOM 703 CA LYS A 77 10.540 -6.066 8.937 1.00 0.00 C ATOM 704 C LYS A 77 9.390 -5.102 9.207 1.00 0.00 C ATOM 705 O LYS A 77 9.157 -4.677 10.339 1.00 0.00 O ATOM 706 CB LYS A 77 10.022 -7.506 8.933 1.00 0.00 C ATOM 707 CG LYS A 77 10.937 -8.479 8.210 1.00 0.00 C ATOM 708 CD LYS A 77 10.244 -9.806 7.947 1.00 0.00 C ATOM 709 CE LYS A 77 10.363 -10.743 9.139 1.00 0.00 C ATOM 710 NZ LYS A 77 11.781 -11.089 9.434 1.00 0.00 N ATOM 0 H LYS A 77 11.257 -5.811 10.891 1.00 0.00 H new ATOM 0 HA LYS A 77 10.962 -5.835 7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.892 -7.839 9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.038 -7.528 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.260 -8.042 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.834 -8.648 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.191 -9.630 7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.681 -10.278 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.914 -10.275 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.800 -11.655 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.818 -11.986 9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.307 -11.187 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.210 -10.335 10.008 1.00 0.00 H new ATOM 724 N PRO A 78 8.651 -4.748 8.145 1.00 0.00 N ATOM 725 CA PRO A 78 7.511 -3.831 8.243 1.00 0.00 C ATOM 726 C PRO A 78 6.330 -4.452 8.981 1.00 0.00 C ATOM 727 O PRO A 78 6.159 -5.672 8.986 1.00 0.00 O ATOM 728 CB PRO A 78 7.146 -3.561 6.782 1.00 0.00 C ATOM 729 CG PRO A 78 7.636 -4.757 6.041 1.00 0.00 C ATOM 730 CD PRO A 78 8.871 -5.215 6.766 1.00 0.00 C ATOM 0 HA PRO A 78 7.758 -2.932 8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.070 -3.433 6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.619 -2.649 6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.880 -5.542 6.023 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.862 -4.508 5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.984 -6.298 6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.774 -4.782 6.335 1.00 0.00 H new ATOM 738 N LYS A 79 5.516 -3.606 9.603 1.00 0.00 N ATOM 739 CA LYS A 79 4.349 -4.071 10.343 1.00 0.00 C ATOM 740 C LYS A 79 3.173 -4.320 9.404 1.00 0.00 C ATOM 741 O LYS A 79 2.139 -4.846 9.814 1.00 0.00 O ATOM 742 CB LYS A 79 3.955 -3.047 11.410 1.00 0.00 C ATOM 743 CG LYS A 79 4.957 -2.936 12.546 1.00 0.00 C ATOM 744 CD LYS A 79 6.019 -1.889 12.252 1.00 0.00 C ATOM 745 CE LYS A 79 6.707 -1.421 13.525 1.00 0.00 C ATOM 746 NZ LYS A 79 7.373 -0.101 13.343 1.00 0.00 N ATOM 0 H LYS A 79 5.643 -2.594 9.609 1.00 0.00 H new ATOM 0 HA LYS A 79 4.609 -5.012 10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.842 -2.070 10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.982 -3.318 11.820 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.436 -2.678 13.468 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.433 -3.903 12.708 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.760 -2.303 11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.562 -1.037 11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.974 -1.350 14.329 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.446 -2.161 13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.830 0.183 14.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.090 -0.174 12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.664 0.611 13.075 1.00 0.00 H new ATOM 760 N GLY A 80 3.339 -3.940 8.141 1.00 0.00 N ATOM 761 CA GLY A 80 2.284 -4.131 7.163 1.00 0.00 C ATOM 762 C GLY A 80 1.526 -2.852 6.870 1.00 0.00 C ATOM 763 O GLY A 80 0.319 -2.878 6.628 1.00 0.00 O ATOM 0 H GLY A 80 4.186 -3.503 7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.715 -4.514 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.588 -4.887 7.527 1.00 0.00 H new ATOM 767 N PHE A 81 2.235 -1.728 6.892 1.00 0.00 N ATOM 768 CA PHE A 81 1.621 -0.432 6.629 1.00 0.00 C ATOM 769 C PHE A 81 2.674 0.598 6.231 1.00 0.00 C ATOM 770 O PHE A 81 3.852 0.455 6.558 1.00 0.00 O ATOM 771 CB PHE A 81 0.856 0.054 7.862 1.00 0.00 C ATOM 772 CG PHE A 81 1.738 0.671 8.909 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.369 -0.119 9.856 1.00 0.00 C ATOM 774 CD2 PHE A 81 1.937 2.042 8.947 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.180 0.446 10.822 1.00 0.00 C ATOM 776 CE2 PHE A 81 2.747 2.613 9.910 1.00 0.00 C ATOM 777 CZ PHE A 81 3.371 1.814 10.848 1.00 0.00 C ATOM 0 H PHE A 81 3.235 -1.689 7.089 1.00 0.00 H new ATOM 0 HA PHE A 81 0.923 -0.551 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.108 0.784 7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.318 -0.786 8.301 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.225 -1.189 9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.453 2.672 8.215 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.664 -0.181 11.556 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.892 3.683 9.929 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.007 2.258 11.600 1.00 0.00 H new ATOM 787 N ALA A 82 2.241 1.636 5.523 1.00 0.00 N ATOM 788 CA ALA A 82 3.145 2.691 5.081 1.00 0.00 C ATOM 789 C ALA A 82 2.374 3.948 4.694 1.00 0.00 C ATOM 790 O ALA A 82 1.147 3.929 4.591 1.00 0.00 O ATOM 791 CB ALA A 82 3.990 2.206 3.912 1.00 0.00 C ATOM 0 H ALA A 82 1.269 1.769 5.243 1.00 0.00 H new ATOM 0 HA ALA A 82 3.804 2.943 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.660 3.004 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.577 1.341 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.339 1.925 3.084 1.00 0.00 H new ATOM 797 N PHE A 83 3.101 5.040 4.482 1.00 0.00 N ATOM 798 CA PHE A 83 2.485 6.308 4.108 1.00 0.00 C ATOM 799 C PHE A 83 3.146 6.887 2.861 1.00 0.00 C ATOM 800 O PHE A 83 4.345 7.167 2.854 1.00 0.00 O ATOM 801 CB PHE A 83 2.583 7.307 5.262 1.00 0.00 C ATOM 802 CG PHE A 83 1.515 7.127 6.303 1.00 0.00 C ATOM 803 CD1 PHE A 83 0.304 7.792 6.195 1.00 0.00 C ATOM 804 CD2 PHE A 83 1.722 6.294 7.391 1.00 0.00 C ATOM 805 CE1 PHE A 83 -0.680 7.629 7.151 1.00 0.00 C ATOM 806 CE2 PHE A 83 0.741 6.126 8.349 1.00 0.00 C ATOM 807 CZ PHE A 83 -0.461 6.795 8.230 1.00 0.00 C ATOM 0 H PHE A 83 4.117 5.072 4.563 1.00 0.00 H new ATOM 0 HA PHE A 83 1.434 6.121 3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.560 7.209 5.735 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.522 8.319 4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.127 8.445 5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.661 5.770 7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.619 8.153 7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.914 5.472 9.191 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.228 6.666 8.979 1.00 0.00 H new ATOM 817 N VAL A 84 2.356 7.064 1.807 1.00 0.00 N ATOM 818 CA VAL A 84 2.864 7.610 0.554 1.00 0.00 C ATOM 819 C VAL A 84 2.476 9.076 0.396 1.00 0.00 C ATOM 820 O VAL A 84 1.331 9.457 0.642 1.00 0.00 O ATOM 821 CB VAL A 84 2.338 6.818 -0.658 1.00 0.00 C ATOM 822 CG1 VAL A 84 3.044 7.258 -1.931 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.509 5.324 -0.432 1.00 0.00 C ATOM 0 H VAL A 84 1.362 6.837 1.796 1.00 0.00 H new ATOM 0 HA VAL A 84 3.950 7.526 0.590 1.00 0.00 H new ATOM 0 HB VAL A 84 1.274 7.025 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.659 6.687 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.864 8.320 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.115 7.082 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.132 4.780 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.566 5.096 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.952 5.024 0.456 1.00 0.00 H new ATOM 833 N THR A 85 3.437 9.896 -0.016 1.00 0.00 N ATOM 834 CA THR A 85 3.198 11.321 -0.206 1.00 0.00 C ATOM 835 C THR A 85 3.531 11.749 -1.630 1.00 0.00 C ATOM 836 O THR A 85 4.694 11.748 -2.033 1.00 0.00 O ATOM 837 CB THR A 85 4.026 12.167 0.780 1.00 0.00 C ATOM 838 OG1 THR A 85 4.033 11.547 2.071 1.00 0.00 O ATOM 839 CG2 THR A 85 3.462 13.575 0.890 1.00 0.00 C ATOM 0 H THR A 85 4.390 9.597 -0.225 1.00 0.00 H new ATOM 0 HA THR A 85 2.138 11.491 -0.017 1.00 0.00 H new ATOM 0 HB THR A 85 5.047 12.230 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.563 12.090 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.063 14.154 1.592 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.485 14.054 -0.089 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.433 13.528 1.246 1.00 0.00 H new ATOM 847 N PHE A 86 2.503 12.116 -2.389 1.00 0.00 N ATOM 848 CA PHE A 86 2.688 12.547 -3.770 1.00 0.00 C ATOM 849 C PHE A 86 3.017 14.036 -3.836 1.00 0.00 C ATOM 850 O PHE A 86 2.785 14.776 -2.881 1.00 0.00 O ATOM 851 CB PHE A 86 1.430 12.255 -4.590 1.00 0.00 C ATOM 852 CG PHE A 86 1.351 10.838 -5.083 1.00 0.00 C ATOM 853 CD1 PHE A 86 1.924 10.479 -6.293 1.00 0.00 C ATOM 854 CD2 PHE A 86 0.705 9.866 -4.337 1.00 0.00 C ATOM 855 CE1 PHE A 86 1.853 9.176 -6.749 1.00 0.00 C ATOM 856 CE2 PHE A 86 0.631 8.561 -4.788 1.00 0.00 C ATOM 857 CZ PHE A 86 1.206 8.216 -5.995 1.00 0.00 C ATOM 0 H PHE A 86 1.534 12.123 -2.071 1.00 0.00 H new ATOM 0 HA PHE A 86 3.525 11.989 -4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.551 12.469 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.398 12.931 -5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.431 11.225 -6.886 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.254 10.131 -3.392 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.303 8.909 -7.694 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.124 7.813 -4.197 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.150 7.197 -6.349 1.00 0.00 H new ATOM 867 N MET A 87 3.560 14.466 -4.970 1.00 0.00 N ATOM 868 CA MET A 87 3.921 15.866 -5.161 1.00 0.00 C ATOM 869 C MET A 87 2.688 16.707 -5.479 1.00 0.00 C ATOM 870 O MET A 87 2.483 17.771 -4.895 1.00 0.00 O ATOM 871 CB MET A 87 4.949 16.001 -6.286 1.00 0.00 C ATOM 872 CG MET A 87 6.389 15.904 -5.809 1.00 0.00 C ATOM 873 SD MET A 87 6.779 17.113 -4.530 1.00 0.00 S ATOM 874 CE MET A 87 8.267 17.849 -5.202 1.00 0.00 C ATOM 0 H MET A 87 3.760 13.866 -5.770 1.00 0.00 H new ATOM 0 HA MET A 87 4.359 16.232 -4.233 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.768 15.223 -7.028 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.804 16.959 -6.786 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.573 14.901 -5.424 1.00 0.00 H new ATOM 0 HG3 MET A 87 7.059 16.048 -6.657 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.631 18.619 -4.522 1.00 0.00 H new ATOM 0 HE2 MET A 87 9.031 17.081 -5.323 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.046 18.296 -6.171 1.00 0.00 H new ATOM 884 N PHE A 88 1.871 16.222 -6.408 1.00 0.00 N ATOM 885 CA PHE A 88 0.659 16.930 -6.804 1.00 0.00 C ATOM 886 C PHE A 88 -0.576 16.286 -6.180 1.00 0.00 C ATOM 887 O PHE A 88 -0.636 15.074 -5.970 1.00 0.00 O ATOM 888 CB PHE A 88 0.526 16.944 -8.328 1.00 0.00 C ATOM 889 CG PHE A 88 1.513 17.850 -9.008 1.00 0.00 C ATOM 890 CD1 PHE A 88 1.295 19.218 -9.060 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.657 17.335 -9.594 1.00 0.00 C ATOM 892 CE1 PHE A 88 2.201 20.054 -9.685 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.567 18.166 -10.220 1.00 0.00 C ATOM 894 CZ PHE A 88 3.339 19.527 -10.265 1.00 0.00 C ATOM 0 H PHE A 88 2.026 15.342 -6.900 1.00 0.00 H new ATOM 0 HA PHE A 88 0.733 17.956 -6.443 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.656 15.930 -8.705 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.484 17.256 -8.594 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.408 19.635 -8.607 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.840 16.271 -9.562 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.020 21.118 -9.720 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.455 17.751 -10.673 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.049 20.179 -10.753 1.00 0.00 H new ATOM 904 N PRO A 89 -1.586 17.115 -5.877 1.00 0.00 N ATOM 905 CA PRO A 89 -2.838 16.649 -5.273 1.00 0.00 C ATOM 906 C PRO A 89 -3.677 15.824 -6.243 1.00 0.00 C ATOM 907 O PRO A 89 -4.294 14.832 -5.854 1.00 0.00 O ATOM 908 CB PRO A 89 -3.562 17.948 -4.911 1.00 0.00 C ATOM 909 CG PRO A 89 -3.014 18.963 -5.855 1.00 0.00 C ATOM 910 CD PRO A 89 -1.583 18.570 -6.100 1.00 0.00 C ATOM 0 HA PRO A 89 -2.660 15.992 -4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.641 17.844 -5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.375 18.230 -3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.580 18.976 -6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.076 19.965 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.265 18.821 -7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.904 19.080 -5.417 1.00 0.00 H new ATOM 918 N GLU A 90 -3.695 16.240 -7.505 1.00 0.00 N ATOM 919 CA GLU A 90 -4.459 15.538 -8.529 1.00 0.00 C ATOM 920 C GLU A 90 -3.928 14.121 -8.729 1.00 0.00 C ATOM 921 O GLU A 90 -4.647 13.236 -9.195 1.00 0.00 O ATOM 922 CB GLU A 90 -4.407 16.305 -9.852 1.00 0.00 C ATOM 923 CG GLU A 90 -2.996 16.629 -10.313 1.00 0.00 C ATOM 924 CD GLU A 90 -2.960 17.222 -11.708 1.00 0.00 C ATOM 925 OE1 GLU A 90 -3.855 16.896 -12.515 1.00 0.00 O ATOM 926 OE2 GLU A 90 -2.036 18.012 -11.992 1.00 0.00 O ATOM 0 H GLU A 90 -3.190 17.059 -7.843 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.494 15.476 -8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.906 15.717 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.968 17.234 -9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.541 17.329 -9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.394 15.721 -10.293 1.00 0.00 H new ATOM 933 N HIS A 91 -2.663 13.914 -8.376 1.00 0.00 N ATOM 934 CA HIS A 91 -2.035 12.606 -8.516 1.00 0.00 C ATOM 935 C HIS A 91 -2.469 11.670 -7.392 1.00 0.00 C ATOM 936 O HIS A 91 -2.671 10.476 -7.608 1.00 0.00 O ATOM 937 CB HIS A 91 -0.512 12.746 -8.519 1.00 0.00 C ATOM 938 CG HIS A 91 0.018 13.507 -9.695 1.00 0.00 C ATOM 939 ND1 HIS A 91 1.319 13.954 -9.778 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.587 13.899 -10.841 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.492 14.589 -10.923 1.00 0.00 C ATOM 942 NE2 HIS A 91 0.351 14.569 -11.587 1.00 0.00 N ATOM 0 H HIS A 91 -2.053 14.636 -7.991 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.356 12.177 -9.465 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.200 13.246 -7.602 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.064 11.752 -8.508 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.615 13.718 -11.117 1.00 0.00 H new ATOM 0 HE1 HIS A 91 2.411 15.047 -11.259 1.00 0.00 H new ATOM 0 HE2 HIS A 91 0.192 14.984 -12.505 1.00 0.00 H new ATOM 951 N ALA A 92 -2.611 12.222 -6.191 1.00 0.00 N ATOM 952 CA ALA A 92 -3.023 11.438 -5.034 1.00 0.00 C ATOM 953 C ALA A 92 -4.461 10.953 -5.183 1.00 0.00 C ATOM 954 O ALA A 92 -4.832 9.905 -4.653 1.00 0.00 O ATOM 955 CB ALA A 92 -2.869 12.255 -3.760 1.00 0.00 C ATOM 0 H ALA A 92 -2.447 13.209 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.377 10.563 -4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.181 11.656 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.826 12.546 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.490 13.148 -3.823 1.00 0.00 H new ATOM 961 N VAL A 93 -5.268 11.722 -5.906 1.00 0.00 N ATOM 962 CA VAL A 93 -6.666 11.371 -6.125 1.00 0.00 C ATOM 963 C VAL A 93 -6.790 10.134 -7.008 1.00 0.00 C ATOM 964 O VAL A 93 -7.417 9.145 -6.627 1.00 0.00 O ATOM 965 CB VAL A 93 -7.442 12.532 -6.775 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.896 12.146 -6.994 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.337 13.786 -5.920 1.00 0.00 C ATOM 0 H VAL A 93 -4.978 12.593 -6.350 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.096 11.160 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.998 12.744 -7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.428 12.979 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.947 11.276 -7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.357 11.906 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.891 14.597 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.755 13.589 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.290 14.072 -5.820 1.00 0.00 H new ATOM 977 N LYS A 94 -6.189 10.196 -8.191 1.00 0.00 N ATOM 978 CA LYS A 94 -6.229 9.081 -9.130 1.00 0.00 C ATOM 979 C LYS A 94 -5.752 7.794 -8.466 1.00 0.00 C ATOM 980 O LYS A 94 -6.308 6.721 -8.700 1.00 0.00 O ATOM 981 CB LYS A 94 -5.364 9.387 -10.355 1.00 0.00 C ATOM 982 CG LYS A 94 -5.212 8.209 -11.302 1.00 0.00 C ATOM 983 CD LYS A 94 -4.022 8.389 -12.229 1.00 0.00 C ATOM 984 CE LYS A 94 -3.939 7.269 -13.254 1.00 0.00 C ATOM 985 NZ LYS A 94 -3.148 7.669 -14.451 1.00 0.00 N ATOM 0 H LYS A 94 -5.668 11.008 -8.523 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.262 8.944 -9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.801 10.225 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.376 9.704 -10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.090 7.291 -10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.121 8.096 -11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.101 9.348 -12.742 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.104 8.416 -11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.485 6.390 -12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.945 6.984 -13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.115 6.878 -15.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.595 8.492 -14.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.181 7.917 -14.161 1.00 0.00 H new ATOM 999 N ALA A 95 -4.720 7.908 -7.637 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.171 6.754 -6.937 1.00 0.00 C ATOM 1001 C ALA A 95 -5.136 6.248 -5.870 1.00 0.00 C ATOM 1002 O ALA A 95 -5.427 5.054 -5.798 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.828 7.104 -6.313 1.00 0.00 C ATOM 0 H ALA A 95 -4.247 8.789 -7.434 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.024 5.956 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.430 6.232 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.132 7.410 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.958 7.921 -5.603 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.628 7.164 -5.043 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.558 6.810 -3.977 1.00 0.00 C ATOM 1011 C TYR A 96 -7.839 6.210 -4.549 1.00 0.00 C ATOM 1012 O TYR A 96 -8.554 5.479 -3.865 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.891 8.042 -3.133 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.166 7.900 -2.333 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.339 6.845 -1.445 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.199 8.820 -2.465 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.502 6.712 -0.712 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.365 8.695 -1.736 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.512 7.639 -0.860 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.673 7.510 -0.133 1.00 0.00 O ATOM 0 H TYR A 96 -5.398 8.157 -5.090 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.079 6.063 -3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.064 8.239 -2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.978 8.909 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.550 6.117 -1.326 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.088 9.648 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.620 5.886 -0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.158 9.420 -1.851 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.281 8.246 -0.354 1.00 0.00 H new ATOM 1030 N ALA A 97 -8.120 6.524 -5.809 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.312 6.014 -6.475 1.00 0.00 C ATOM 1032 C ALA A 97 -9.066 4.626 -7.055 1.00 0.00 C ATOM 1033 O ALA A 97 -9.949 3.769 -7.033 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.757 6.974 -7.569 1.00 0.00 C ATOM 0 H ALA A 97 -7.539 7.129 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.106 5.933 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.648 6.581 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.983 7.946 -7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.959 7.084 -8.303 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.861 4.411 -7.574 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.501 3.126 -8.161 1.00 0.00 C ATOM 1042 C GLU A 98 -6.837 2.222 -7.126 1.00 0.00 C ATOM 1043 O GLU A 98 -7.321 1.126 -6.841 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.563 3.329 -9.352 1.00 0.00 C ATOM 1045 CG GLU A 98 -7.247 3.928 -10.570 1.00 0.00 C ATOM 1046 CD GLU A 98 -6.608 3.487 -11.873 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -6.683 2.282 -12.191 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -6.034 4.347 -12.574 1.00 0.00 O ATOM 0 H GLU A 98 -7.118 5.110 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.416 2.644 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.742 3.979 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.125 2.369 -9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.298 3.641 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.214 5.015 -10.503 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.726 2.689 -6.566 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.995 1.925 -5.563 1.00 0.00 C ATOM 1057 C VAL A 99 -5.942 1.334 -4.524 1.00 0.00 C ATOM 1058 O VAL A 99 -5.915 0.133 -4.256 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.945 2.796 -4.848 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.199 1.982 -3.801 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.978 3.399 -5.855 1.00 0.00 C ATOM 0 H VAL A 99 -5.312 3.594 -6.790 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.488 1.117 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.460 3.612 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.461 2.614 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.906 1.603 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.694 1.145 -4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.243 4.011 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.468 2.600 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.529 4.019 -6.563 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.780 2.187 -3.944 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.738 1.750 -2.935 1.00 0.00 C ATOM 1073 C ASP A 100 -8.502 0.517 -3.409 1.00 0.00 C ATOM 1074 O ASP A 100 -9.532 0.630 -4.072 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.718 2.878 -2.609 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.826 2.431 -1.676 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.540 2.200 -0.482 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.979 2.313 -2.140 1.00 0.00 O ATOM 0 H ASP A 100 -6.815 3.184 -4.155 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.184 1.488 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.175 3.706 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.155 3.254 -3.534 1.00 0.00 H new ATOM 1083 N GLY A 101 -7.988 -0.660 -3.064 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.634 -1.896 -3.463 1.00 0.00 C ATOM 1085 C GLY A 101 -7.822 -2.672 -4.482 1.00 0.00 C ATOM 1086 O GLY A 101 -8.381 -3.353 -5.341 1.00 0.00 O ATOM 0 H GLY A 101 -7.136 -0.779 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.797 -2.518 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.616 -1.671 -3.880 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.501 -2.567 -4.387 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.611 -3.262 -5.310 1.00 0.00 C ATOM 1092 C GLN A 102 -4.726 -4.257 -4.567 1.00 0.00 C ATOM 1093 O GLN A 102 -4.077 -3.910 -3.579 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.744 -2.257 -6.070 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.430 -1.939 -5.373 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.533 -1.042 -6.203 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -1.645 -0.313 -5.537 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -2.636 -1.005 -7.430 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.023 -2.008 -3.681 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.225 -3.812 -6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.533 -2.651 -7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.307 -1.333 -6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.637 -1.456 -4.418 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.905 -2.869 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.333 -1.582 -7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.025 -0.397 -7.975 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.703 -5.496 -5.047 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.897 -6.542 -4.429 1.00 0.00 C ATOM 1109 C VAL A 103 -2.429 -6.403 -4.815 1.00 0.00 C ATOM 1110 O VAL A 103 -2.101 -6.166 -5.978 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.392 -7.944 -4.830 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.449 -9.014 -4.304 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.808 -8.173 -4.324 1.00 0.00 C ATOM 0 H VAL A 103 -5.234 -5.800 -5.863 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.999 -6.425 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.405 -8.009 -5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.815 -9.998 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.454 -8.858 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.401 -8.954 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.142 -9.169 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.824 -8.089 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.474 -7.426 -4.755 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.547 -6.554 -3.832 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.112 -6.446 -4.068 1.00 0.00 C ATOM 1125 C PHE A 104 0.643 -7.555 -3.343 1.00 0.00 C ATOM 1126 O PHE A 104 0.658 -7.609 -2.114 1.00 0.00 O ATOM 1127 CB PHE A 104 0.400 -5.079 -3.608 1.00 0.00 C ATOM 1128 CG PHE A 104 1.815 -4.798 -4.025 1.00 0.00 C ATOM 1129 CD1 PHE A 104 2.095 -4.306 -5.289 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.867 -5.027 -3.151 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.396 -4.046 -5.676 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.170 -4.768 -3.532 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.435 -4.279 -4.796 1.00 0.00 C ATOM 0 H PHE A 104 -1.801 -6.752 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 104 0.064 -6.551 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.250 -4.302 -4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.331 -5.021 -2.522 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.286 -4.123 -5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.666 -5.412 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.600 -3.661 -6.664 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.981 -4.948 -2.841 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.453 -4.079 -5.096 1.00 0.00 H new ATOM 1143 N GLN A 105 1.270 -8.438 -4.114 1.00 0.00 N ATOM 1144 CA GLN A 105 2.027 -9.547 -3.546 1.00 0.00 C ATOM 1145 C GLN A 105 1.144 -10.401 -2.641 1.00 0.00 C ATOM 1146 O GLN A 105 1.632 -11.056 -1.721 1.00 0.00 O ATOM 1147 CB GLN A 105 3.228 -9.022 -2.758 1.00 0.00 C ATOM 1148 CG GLN A 105 4.078 -8.029 -3.535 1.00 0.00 C ATOM 1149 CD GLN A 105 5.152 -8.704 -4.365 1.00 0.00 C ATOM 1150 OE1 GLN A 105 4.915 -9.744 -4.981 1.00 0.00 O ATOM 1151 NE2 GLN A 105 6.342 -8.115 -4.386 1.00 0.00 N ATOM 0 H GLN A 105 1.269 -8.407 -5.134 1.00 0.00 H new ATOM 0 HA GLN A 105 2.384 -10.169 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.873 -8.546 -1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.851 -9.864 -2.457 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.435 -7.440 -4.189 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.546 -7.334 -2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.494 -7.254 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.104 -8.524 -4.927 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.158 -10.388 -2.909 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.088 -11.165 -2.110 1.00 0.00 C ATOM 1162 C GLY A 106 -1.540 -10.426 -0.866 1.00 0.00 C ATOM 1163 O GLY A 106 -1.794 -11.040 0.170 1.00 0.00 O ATOM 0 H GLY A 106 -0.586 -9.853 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.959 -11.418 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.617 -12.104 -1.820 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.641 -9.105 -0.968 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.063 -8.281 0.158 1.00 0.00 C ATOM 1169 C ARG A 107 -3.008 -7.174 -0.301 1.00 0.00 C ATOM 1170 O ARG A 107 -2.620 -6.294 -1.069 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.846 -7.671 0.856 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.286 -8.537 1.972 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.111 -8.410 3.244 1.00 0.00 C ATOM 1174 NE ARG A 107 -1.084 -9.635 4.039 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.859 -9.840 5.098 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.717 -8.907 5.487 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -1.776 -10.981 5.770 1.00 0.00 N ATOM 0 H ARG A 107 -1.436 -8.582 -1.820 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.595 -8.920 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.064 -7.495 0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.122 -6.699 1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.268 -9.579 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.745 -8.248 2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.730 -7.582 3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.142 -8.169 2.985 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.435 -10.373 3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.783 -8.029 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.311 -9.068 6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.117 -11.701 5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.371 -11.138 6.583 1.00 0.00 H new ATOM 1191 N MET A 108 -4.248 -7.227 0.173 1.00 0.00 N ATOM 1192 CA MET A 108 -5.247 -6.228 -0.189 1.00 0.00 C ATOM 1193 C MET A 108 -4.836 -4.845 0.305 1.00 0.00 C ATOM 1194 O MET A 108 -5.076 -4.490 1.460 1.00 0.00 O ATOM 1195 CB MET A 108 -6.611 -6.606 0.393 1.00 0.00 C ATOM 1196 CG MET A 108 -7.784 -6.035 -0.388 1.00 0.00 C ATOM 1197 SD MET A 108 -8.087 -6.919 -1.930 1.00 0.00 S ATOM 1198 CE MET A 108 -8.033 -5.572 -3.108 1.00 0.00 C ATOM 0 H MET A 108 -4.585 -7.950 0.808 1.00 0.00 H new ATOM 0 HA MET A 108 -5.319 -6.199 -1.276 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.697 -7.692 0.420 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.667 -6.256 1.424 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.681 -6.073 0.231 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.593 -4.985 -0.607 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.204 -5.960 -4.112 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.806 -4.844 -2.864 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.056 -5.091 -3.066 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.216 -4.067 -0.576 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.772 -2.722 -0.230 1.00 0.00 C ATOM 1210 C LEU A 109 -4.963 -1.800 0.012 1.00 0.00 C ATOM 1211 O LEU A 109 -5.811 -1.622 -0.863 1.00 0.00 O ATOM 1212 CB LEU A 109 -2.890 -2.152 -1.342 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.691 -3.009 -1.753 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -0.873 -2.304 -2.824 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.826 -3.331 -0.543 1.00 0.00 C ATOM 0 H LEU A 109 -4.010 -4.345 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.191 -2.784 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.511 -1.986 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.522 -1.177 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.063 -3.946 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.025 -2.928 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.497 -2.126 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.511 -1.352 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.022 -3.941 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.463 -2.404 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.417 -3.878 0.191 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.019 -1.215 1.204 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.105 -0.308 1.560 1.00 0.00 C ATOM 1229 C HIS A 110 -5.608 1.132 1.638 1.00 0.00 C ATOM 1230 O HIS A 110 -4.592 1.415 2.274 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.723 -0.719 2.897 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.672 -1.873 2.788 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -8.800 -1.996 3.572 1.00 0.00 N ATOM 1234 CD2 HIS A 110 -7.657 -2.959 1.980 1.00 0.00 C ATOM 1235 CE1 HIS A 110 -9.437 -3.109 3.252 1.00 0.00 C ATOM 1236 NE2 HIS A 110 -8.764 -3.711 2.288 1.00 0.00 N ATOM 0 H HIS A 110 -4.326 -1.352 1.940 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.866 -0.369 0.782 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.925 -0.980 3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.250 0.135 3.322 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -6.913 -3.191 1.232 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.352 -3.465 3.702 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.024 -4.592 1.844 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.329 2.038 0.986 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.961 3.449 0.981 1.00 0.00 C ATOM 1247 C VAL A 111 -7.078 4.310 1.559 1.00 0.00 C ATOM 1248 O VAL A 111 -8.247 4.149 1.206 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.633 3.939 -0.442 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.974 5.309 -0.396 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.744 2.935 -1.159 1.00 0.00 C ATOM 0 H VAL A 111 -7.172 1.820 0.454 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.072 3.546 1.604 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.565 4.029 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.749 5.639 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.650 6.022 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.050 5.249 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.522 3.297 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.814 2.811 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.258 1.976 -1.225 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.712 5.226 2.449 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.683 6.115 3.076 1.00 0.00 C ATOM 1263 C LEU A 112 -7.247 7.572 2.955 1.00 0.00 C ATOM 1264 O LEU A 112 -6.062 7.898 3.023 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.864 5.746 4.550 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.738 4.524 4.834 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -10.116 4.698 4.213 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -8.072 3.259 4.314 1.00 0.00 C ATOM 0 H LEU A 112 -5.749 5.372 2.753 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.634 5.996 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.879 5.572 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.294 6.603 5.068 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.858 4.429 5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.724 3.819 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.596 5.582 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.016 4.818 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.708 2.400 4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.921 3.343 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.108 3.126 4.806 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.227 8.470 2.772 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.969 9.906 2.640 1.00 0.00 C ATOM 1282 C PRO A 113 -7.503 10.535 3.949 1.00 0.00 C ATOM 1283 O PRO A 113 -8.143 10.374 4.988 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.329 10.475 2.228 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.323 9.499 2.758 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.662 8.151 2.681 1.00 0.00 C ATOM 0 HA PRO A 113 -7.171 10.112 1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.486 11.468 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.407 10.571 1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.598 9.741 3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.240 9.518 2.170 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.981 7.500 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.902 7.638 1.749 1.00 0.00 H new ATOM 1294 N SER A 114 -6.385 11.251 3.891 1.00 0.00 N ATOM 1295 CA SER A 114 -5.832 11.901 5.074 1.00 0.00 C ATOM 1296 C SER A 114 -5.662 13.399 4.840 1.00 0.00 C ATOM 1297 O SER A 114 -5.664 13.867 3.701 1.00 0.00 O ATOM 1298 CB SER A 114 -4.487 11.275 5.444 1.00 0.00 C ATOM 1299 OG SER A 114 -4.250 11.362 6.838 1.00 0.00 O ATOM 0 H SER A 114 -5.844 11.396 3.038 1.00 0.00 H new ATOM 0 HA SER A 114 -6.530 11.756 5.898 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.471 10.230 5.134 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.686 11.780 4.904 1.00 0.00 H new ATOM 0 HG SER A 114 -3.385 10.953 7.049 1.00 0.00 H new