USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 65 THR OG1 : rot 180:sc= -0.879 USER MOD Set 1.2: A 68 MET CE :methyl -134:sc= -0.1 (180deg=-0.341) USER MOD Set 2.1: A 55 HIS : no HE2:sc= -3.19 K(o=-3,f=-9.9!) USER MOD Set 2.2: A 60 THR OG1 : rot 82:sc= 0.191 USER MOD Set 3.1: A 53 LYS NZ :NH3+ -151:sc= -2.71 (180deg=-2.22!) USER MOD Set 3.2: A 76 TYR OH : rot -118:sc= -4.89! USER MOD Single : A 47 TYR OH : rot 156:sc= -0.701 USER MOD Single : A 48 SER OG : rot 180:sc= -0.156 USER MOD Single : A 54 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -150:sc= -0.612 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -1.32 USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= -0.127 (180deg=-0.419) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= -1.23 (180deg=-1.8) USER MOD Single : A 85 GLN : amide:sc= -0.0455 K(o=-0.045,f=-0.75) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.057 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -4.63! K(o=-4.6!,f=-2.6) USER MOD Single : A 96 GLN : amide:sc= -4.08 X(o=-4.1,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 54 N TYR A 47 -4.316 4.339 5.868 1.00 0.00 N ATOM 55 CA TYR A 47 -4.080 3.015 5.302 1.00 0.00 C ATOM 56 C TYR A 47 -3.900 1.984 6.411 1.00 0.00 C ATOM 57 O TYR A 47 -2.816 1.429 6.594 1.00 0.00 O ATOM 58 CB TYR A 47 -2.845 3.036 4.398 1.00 0.00 C ATOM 59 CG TYR A 47 -2.916 4.068 3.294 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.781 3.907 2.218 1.00 0.00 C ATOM 61 CD2 TYR A 47 -2.116 5.203 3.326 1.00 0.00 C ATOM 62 CE1 TYR A 47 -3.847 4.847 1.207 1.00 0.00 C ATOM 63 CE2 TYR A 47 -2.176 6.148 2.320 1.00 0.00 C ATOM 64 CZ TYR A 47 -3.042 5.965 1.263 1.00 0.00 C ATOM 65 OH TYR A 47 -3.104 6.904 0.259 1.00 0.00 O ATOM 0 HA TYR A 47 -4.948 2.736 4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.963 3.230 5.008 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.715 2.050 3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.413 3.032 2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.435 5.349 4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.525 4.707 0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.548 7.026 2.361 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.798 7.770 0.602 1.00 0.00 H new ATOM 75 N SER A 48 -4.975 1.738 7.151 1.00 0.00 N ATOM 76 CA SER A 48 -4.952 0.779 8.249 1.00 0.00 C ATOM 77 C SER A 48 -4.912 -0.650 7.725 1.00 0.00 C ATOM 78 O SER A 48 -4.138 -1.478 8.204 1.00 0.00 O ATOM 79 CB SER A 48 -6.176 0.971 9.146 1.00 0.00 C ATOM 80 OG SER A 48 -7.359 0.539 8.496 1.00 0.00 O ATOM 0 H SER A 48 -5.877 2.192 7.009 1.00 0.00 H new ATOM 0 HA SER A 48 -4.049 0.957 8.833 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.042 0.413 10.073 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.270 2.022 9.418 1.00 0.00 H new ATOM 0 HG SER A 48 -8.126 0.671 9.091 1.00 0.00 H new ATOM 86 N GLU A 49 -5.761 -0.927 6.741 1.00 0.00 N ATOM 87 CA GLU A 49 -5.849 -2.251 6.137 1.00 0.00 C ATOM 88 C GLU A 49 -7.114 -2.369 5.297 1.00 0.00 C ATOM 89 O GLU A 49 -7.076 -2.854 4.170 1.00 0.00 O ATOM 90 CB GLU A 49 -5.849 -3.340 7.212 1.00 0.00 C ATOM 91 CG GLU A 49 -6.748 -3.030 8.399 1.00 0.00 C ATOM 92 CD GLU A 49 -6.156 -3.496 9.715 1.00 0.00 C ATOM 93 OE1 GLU A 49 -6.332 -4.684 10.058 1.00 0.00 O ATOM 94 OE2 GLU A 49 -5.517 -2.672 10.403 1.00 0.00 O ATOM 0 H GLU A 49 -6.404 -0.244 6.342 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.977 -2.386 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.167 -4.281 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.829 -3.486 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.926 -1.956 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.717 -3.507 8.251 1.00 0.00 H new ATOM 101 N GLU A 50 -8.235 -1.925 5.854 1.00 0.00 N ATOM 102 CA GLU A 50 -9.516 -1.986 5.154 1.00 0.00 C ATOM 103 C GLU A 50 -9.422 -1.363 3.769 1.00 0.00 C ATOM 104 O GLU A 50 -9.675 -2.030 2.766 1.00 0.00 O ATOM 105 CB GLU A 50 -10.607 -1.290 5.972 1.00 0.00 C ATOM 106 CG GLU A 50 -10.147 -0.002 6.641 1.00 0.00 C ATOM 107 CD GLU A 50 -10.935 1.210 6.182 1.00 0.00 C ATOM 108 OE1 GLU A 50 -11.038 1.421 4.956 1.00 0.00 O ATOM 109 OE2 GLU A 50 -11.449 1.947 7.050 1.00 0.00 O ATOM 0 H GLU A 50 -8.284 -1.519 6.788 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.778 -3.037 5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.451 -1.068 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.968 -1.977 6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.243 -0.105 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.090 0.155 6.428 1.00 0.00 H new ATOM 116 N GLU A 51 -9.047 -0.090 3.707 1.00 0.00 N ATOM 117 CA GLU A 51 -8.916 0.584 2.424 1.00 0.00 C ATOM 118 C GLU A 51 -7.901 -0.156 1.570 1.00 0.00 C ATOM 119 O GLU A 51 -8.088 -0.330 0.367 1.00 0.00 O ATOM 120 CB GLU A 51 -8.482 2.040 2.617 1.00 0.00 C ATOM 121 CG GLU A 51 -9.631 3.035 2.583 1.00 0.00 C ATOM 122 CD GLU A 51 -10.521 2.868 1.366 1.00 0.00 C ATOM 123 OE1 GLU A 51 -10.108 2.165 0.420 1.00 0.00 O ATOM 124 OE2 GLU A 51 -11.631 3.441 1.359 1.00 0.00 O ATOM 0 H GLU A 51 -8.831 0.488 4.519 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.884 0.584 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.964 2.131 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.765 2.301 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.232 2.919 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.228 4.048 2.596 1.00 0.00 H new ATOM 131 N LEU A 52 -6.834 -0.610 2.216 1.00 0.00 N ATOM 132 CA LEU A 52 -5.791 -1.357 1.535 1.00 0.00 C ATOM 133 C LEU A 52 -6.369 -2.614 0.902 1.00 0.00 C ATOM 134 O LEU A 52 -6.199 -2.853 -0.291 1.00 0.00 O ATOM 135 CB LEU A 52 -4.682 -1.736 2.514 1.00 0.00 C ATOM 136 CG LEU A 52 -4.037 -0.559 3.242 1.00 0.00 C ATOM 137 CD1 LEU A 52 -3.140 -1.053 4.368 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.251 0.302 2.263 1.00 0.00 C ATOM 0 H LEU A 52 -6.671 -0.472 3.213 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.372 -0.725 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.091 -2.423 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.907 -2.277 1.971 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.826 0.053 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.689 -0.200 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.733 -1.627 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.355 -1.687 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.797 1.137 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.470 -0.298 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.923 0.685 1.494 1.00 0.00 H new ATOM 150 N LYS A 53 -7.058 -3.417 1.712 1.00 0.00 N ATOM 151 CA LYS A 53 -7.663 -4.649 1.227 1.00 0.00 C ATOM 152 C LYS A 53 -8.576 -4.363 0.048 1.00 0.00 C ATOM 153 O LYS A 53 -8.516 -5.043 -0.975 1.00 0.00 O ATOM 154 CB LYS A 53 -8.433 -5.348 2.345 1.00 0.00 C ATOM 155 CG LYS A 53 -7.628 -6.437 3.032 1.00 0.00 C ATOM 156 CD LYS A 53 -6.621 -5.852 4.009 1.00 0.00 C ATOM 157 CE LYS A 53 -5.323 -5.452 3.318 1.00 0.00 C ATOM 158 NZ LYS A 53 -4.429 -4.675 4.220 1.00 0.00 N ATOM 0 H LYS A 53 -7.209 -3.234 2.704 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.867 -5.315 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.738 -4.608 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.344 -5.783 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.302 -7.110 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.106 -7.033 2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.055 -4.980 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.406 -6.582 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.804 -6.347 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.551 -4.858 2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.843 -4.027 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.004 -4.126 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.814 -5.328 4.746 1.00 0.00 H new ATOM 172 N THR A 54 -9.407 -3.336 0.186 1.00 0.00 N ATOM 173 CA THR A 54 -10.307 -2.951 -0.890 1.00 0.00 C ATOM 174 C THR A 54 -9.489 -2.624 -2.127 1.00 0.00 C ATOM 175 O THR A 54 -9.799 -3.062 -3.235 1.00 0.00 O ATOM 176 CB THR A 54 -11.160 -1.750 -0.481 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.521 -1.834 0.886 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.435 -1.620 -1.286 1.00 0.00 C ATOM 0 H THR A 54 -9.475 -2.761 1.025 1.00 0.00 H new ATOM 0 HA THR A 54 -10.981 -3.779 -1.107 1.00 0.00 H new ATOM 0 HB THR A 54 -10.538 -0.875 -0.672 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.781 -1.508 1.440 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.993 -0.748 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.189 -1.503 -2.341 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.043 -2.515 -1.152 1.00 0.00 H new ATOM 186 N HIS A 55 -8.419 -1.869 -1.910 1.00 0.00 N ATOM 187 CA HIS A 55 -7.514 -1.493 -2.980 1.00 0.00 C ATOM 188 C HIS A 55 -6.887 -2.744 -3.588 1.00 0.00 C ATOM 189 O HIS A 55 -6.955 -2.962 -4.798 1.00 0.00 O ATOM 190 CB HIS A 55 -6.430 -0.557 -2.442 1.00 0.00 C ATOM 191 CG HIS A 55 -6.974 0.721 -1.879 1.00 0.00 C ATOM 192 ND1 HIS A 55 -8.131 1.314 -2.341 1.00 0.00 N ATOM 193 CD2 HIS A 55 -6.514 1.523 -0.888 1.00 0.00 C ATOM 194 CE1 HIS A 55 -8.357 2.424 -1.661 1.00 0.00 C ATOM 195 NE2 HIS A 55 -7.392 2.573 -0.774 1.00 0.00 N ATOM 0 H HIS A 55 -8.159 -1.504 -0.994 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.071 -0.968 -3.756 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.864 -1.075 -1.667 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.731 -0.323 -3.245 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -8.720 0.952 -3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.623 1.366 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.190 3.095 -1.807 1.00 0.00 H new ATOM 204 N ILE A 56 -6.289 -3.571 -2.731 1.00 0.00 N ATOM 205 CA ILE A 56 -5.665 -4.812 -3.174 1.00 0.00 C ATOM 206 C ILE A 56 -6.675 -5.695 -3.902 1.00 0.00 C ATOM 207 O ILE A 56 -6.361 -6.303 -4.925 1.00 0.00 O ATOM 208 CB ILE A 56 -5.040 -5.598 -1.996 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.065 -4.706 -1.223 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.330 -6.846 -2.504 1.00 0.00 C ATOM 211 CD1 ILE A 56 -3.949 -5.067 0.242 1.00 0.00 C ATOM 0 H ILE A 56 -6.225 -3.402 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.864 -4.537 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.839 -5.908 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.080 -4.773 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.388 -3.668 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.897 -7.386 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.046 -7.488 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.539 -6.558 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.242 -4.395 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.925 -4.973 0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.597 -6.094 0.337 1.00 0.00 H new ATOM 223 N SER A 57 -7.893 -5.756 -3.366 1.00 0.00 N ATOM 224 CA SER A 57 -8.955 -6.558 -3.963 1.00 0.00 C ATOM 225 C SER A 57 -9.178 -6.180 -5.425 1.00 0.00 C ATOM 226 O SER A 57 -8.784 -6.911 -6.334 1.00 0.00 O ATOM 227 CB SER A 57 -10.256 -6.384 -3.177 1.00 0.00 C ATOM 228 OG SER A 57 -11.337 -7.029 -3.829 1.00 0.00 O ATOM 0 H SER A 57 -8.167 -5.259 -2.519 1.00 0.00 H new ATOM 0 HA SER A 57 -8.647 -7.603 -3.923 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.136 -6.793 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.477 -5.323 -3.064 1.00 0.00 H new ATOM 0 HG SER A 57 -12.156 -6.904 -3.306 1.00 0.00 H new ATOM 234 N LYS A 58 -9.815 -5.033 -5.641 1.00 0.00 N ATOM 235 CA LYS A 58 -10.098 -4.554 -6.990 1.00 0.00 C ATOM 236 C LYS A 58 -8.807 -4.291 -7.759 1.00 0.00 C ATOM 237 O LYS A 58 -8.479 -5.010 -8.704 1.00 0.00 O ATOM 238 CB LYS A 58 -10.942 -3.277 -6.936 1.00 0.00 C ATOM 239 CG LYS A 58 -12.131 -3.370 -5.992 1.00 0.00 C ATOM 240 CD LYS A 58 -12.301 -2.096 -5.181 1.00 0.00 C ATOM 241 CE LYS A 58 -12.552 -0.894 -6.078 1.00 0.00 C ATOM 242 NZ LYS A 58 -13.990 -0.763 -6.441 1.00 0.00 N ATOM 0 H LYS A 58 -10.145 -4.417 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.658 -5.330 -7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.308 -2.446 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.302 -3.047 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.038 -3.561 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.996 -4.216 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.133 -2.214 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.408 -1.923 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.221 0.013 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.955 -0.987 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.119 0.068 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.299 -1.617 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.557 -0.648 -5.577 1.00 0.00 H new ATOM 256 N GLY A 59 -8.078 -3.258 -7.350 1.00 0.00 N ATOM 257 CA GLY A 59 -6.831 -2.921 -8.013 1.00 0.00 C ATOM 258 C GLY A 59 -6.574 -1.426 -8.052 1.00 0.00 C ATOM 259 O GLY A 59 -6.053 -0.906 -9.039 1.00 0.00 O ATOM 0 H GLY A 59 -8.328 -2.648 -6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.006 -3.414 -7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.849 -3.309 -9.031 1.00 0.00 H new ATOM 263 N THR A 60 -6.933 -0.734 -6.976 1.00 0.00 N ATOM 264 CA THR A 60 -6.732 0.708 -6.889 1.00 0.00 C ATOM 265 C THR A 60 -5.497 1.040 -6.054 1.00 0.00 C ATOM 266 O THR A 60 -5.051 2.187 -6.022 1.00 0.00 O ATOM 267 CB THR A 60 -7.966 1.381 -6.285 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.247 0.854 -5.000 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.211 1.218 -7.131 1.00 0.00 C ATOM 0 H THR A 60 -7.365 -1.149 -6.151 1.00 0.00 H new ATOM 0 HA THR A 60 -6.576 1.087 -7.899 1.00 0.00 H new ATOM 0 HB THR A 60 -7.719 2.441 -6.231 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.675 1.291 -4.335 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.049 1.718 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.044 1.660 -8.113 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.438 0.158 -7.244 1.00 0.00 H new ATOM 277 N LEU A 61 -4.946 0.032 -5.382 1.00 0.00 N ATOM 278 CA LEU A 61 -3.762 0.223 -4.554 1.00 0.00 C ATOM 279 C LEU A 61 -2.605 0.773 -5.387 1.00 0.00 C ATOM 280 O LEU A 61 -1.680 1.386 -4.855 1.00 0.00 O ATOM 281 CB LEU A 61 -3.360 -1.100 -3.895 1.00 0.00 C ATOM 282 CG LEU A 61 -2.011 -1.087 -3.172 1.00 0.00 C ATOM 283 CD1 LEU A 61 -2.113 -0.308 -1.868 1.00 0.00 C ATOM 284 CD2 LEU A 61 -1.535 -2.510 -2.914 1.00 0.00 C ATOM 0 H LEU A 61 -5.301 -0.924 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.998 0.947 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.134 -1.381 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.336 -1.876 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.279 -0.590 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.145 -0.309 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.411 0.719 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.856 -0.775 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.575 -2.485 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.265 -3.031 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.424 -3.034 -3.863 1.00 0.00 H new ATOM 296 N GLY A 62 -2.669 0.554 -6.699 1.00 0.00 N ATOM 297 CA GLY A 62 -1.627 1.038 -7.584 1.00 0.00 C ATOM 298 C GLY A 62 -1.954 2.392 -8.184 1.00 0.00 C ATOM 299 O GLY A 62 -1.327 2.813 -9.156 1.00 0.00 O ATOM 0 H GLY A 62 -3.425 0.050 -7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.689 1.106 -7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.473 0.317 -8.387 1.00 0.00 H new ATOM 303 N LYS A 63 -2.935 3.077 -7.604 1.00 0.00 N ATOM 304 CA LYS A 63 -3.335 4.390 -8.088 1.00 0.00 C ATOM 305 C LYS A 63 -2.591 5.486 -7.335 1.00 0.00 C ATOM 306 O LYS A 63 -1.916 6.322 -7.937 1.00 0.00 O ATOM 307 CB LYS A 63 -4.846 4.577 -7.933 1.00 0.00 C ATOM 308 CG LYS A 63 -5.514 5.171 -9.164 1.00 0.00 C ATOM 309 CD LYS A 63 -6.776 4.409 -9.544 1.00 0.00 C ATOM 310 CE LYS A 63 -8.027 5.233 -9.283 1.00 0.00 C ATOM 311 NZ LYS A 63 -8.241 5.473 -7.829 1.00 0.00 N ATOM 0 H LYS A 63 -3.466 2.743 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.080 4.459 -9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.303 3.612 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.038 5.224 -7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.763 6.215 -8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.815 5.156 -10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.733 4.136 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.826 3.480 -8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.947 6.189 -9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.894 4.718 -9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.104 6.038 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.343 4.562 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.426 5.987 -7.438 1.00 0.00 H new ATOM 325 N PHE A 64 -2.718 5.471 -6.011 1.00 0.00 N ATOM 326 CA PHE A 64 -2.059 6.458 -5.162 1.00 0.00 C ATOM 327 C PHE A 64 -0.583 6.607 -5.524 1.00 0.00 C ATOM 328 O PHE A 64 0.033 5.685 -6.059 1.00 0.00 O ATOM 329 CB PHE A 64 -2.193 6.067 -3.689 1.00 0.00 C ATOM 330 CG PHE A 64 -3.587 5.663 -3.297 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.547 6.622 -3.018 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.935 4.325 -3.209 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.830 6.254 -2.657 1.00 0.00 C ATOM 334 CE2 PHE A 64 -5.216 3.951 -2.848 1.00 0.00 C ATOM 335 CZ PHE A 64 -6.164 4.916 -2.572 1.00 0.00 C ATOM 0 H PHE A 64 -3.273 4.783 -5.502 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.550 7.417 -5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.512 5.243 -3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.879 6.907 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.290 7.669 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.198 3.566 -3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.570 7.011 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.475 2.905 -2.782 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.165 4.625 -2.290 1.00 0.00 H new ATOM 345 N THR A 65 -0.023 7.773 -5.220 1.00 0.00 N ATOM 346 CA THR A 65 1.381 8.048 -5.503 1.00 0.00 C ATOM 347 C THR A 65 2.282 7.288 -4.535 1.00 0.00 C ATOM 348 O THR A 65 1.816 6.437 -3.778 1.00 0.00 O ATOM 349 CB THR A 65 1.652 9.551 -5.405 1.00 0.00 C ATOM 350 OG1 THR A 65 1.365 10.028 -4.103 1.00 0.00 O ATOM 351 CG2 THR A 65 0.835 10.370 -6.382 1.00 0.00 C ATOM 0 H THR A 65 -0.521 8.545 -4.777 1.00 0.00 H new ATOM 0 HA THR A 65 1.602 7.713 -6.516 1.00 0.00 H new ATOM 0 HB THR A 65 2.708 9.671 -5.646 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.546 10.990 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.075 11.426 -6.261 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.068 10.060 -7.401 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.226 10.214 -6.189 1.00 0.00 H new ATOM 359 N VAL A 66 3.571 7.603 -4.561 1.00 0.00 N ATOM 360 CA VAL A 66 4.533 6.952 -3.683 1.00 0.00 C ATOM 361 C VAL A 66 4.452 7.525 -2.267 1.00 0.00 C ATOM 362 O VAL A 66 4.405 6.773 -1.293 1.00 0.00 O ATOM 363 CB VAL A 66 5.970 7.096 -4.228 1.00 0.00 C ATOM 364 CG1 VAL A 66 6.994 6.603 -3.213 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.116 6.347 -5.543 1.00 0.00 C ATOM 0 H VAL A 66 3.974 8.306 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 66 4.281 5.892 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 66 6.160 8.154 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.997 6.716 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.909 7.188 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.809 5.552 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.135 6.458 -5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.901 5.290 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.417 6.755 -6.273 1.00 0.00 H new ATOM 375 N PRO A 67 4.422 8.866 -2.125 1.00 0.00 N ATOM 376 CA PRO A 67 4.333 9.510 -0.811 1.00 0.00 C ATOM 377 C PRO A 67 3.194 8.941 0.027 1.00 0.00 C ATOM 378 O PRO A 67 3.304 8.819 1.247 1.00 0.00 O ATOM 379 CB PRO A 67 4.067 10.978 -1.149 1.00 0.00 C ATOM 380 CG PRO A 67 4.643 11.165 -2.509 1.00 0.00 C ATOM 381 CD PRO A 67 4.463 9.853 -3.222 1.00 0.00 C ATOM 0 HA PRO A 67 5.234 9.356 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.000 11.200 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.538 11.642 -0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.135 11.970 -3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.697 11.436 -2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.545 9.838 -3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.285 9.654 -3.910 1.00 0.00 H new ATOM 389 N MET A 68 2.102 8.589 -0.643 1.00 0.00 N ATOM 390 CA MET A 68 0.939 8.023 0.030 1.00 0.00 C ATOM 391 C MET A 68 1.157 6.541 0.316 1.00 0.00 C ATOM 392 O MET A 68 0.801 6.044 1.384 1.00 0.00 O ATOM 393 CB MET A 68 -0.315 8.211 -0.826 1.00 0.00 C ATOM 394 CG MET A 68 -0.940 9.591 -0.696 1.00 0.00 C ATOM 395 SD MET A 68 -2.666 9.623 -1.218 1.00 0.00 S ATOM 396 CE MET A 68 -2.482 9.901 -2.978 1.00 0.00 C ATOM 0 H MET A 68 1.998 8.686 -1.653 1.00 0.00 H new ATOM 0 HA MET A 68 0.802 8.546 0.976 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.061 8.033 -1.871 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.053 7.459 -0.545 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.872 9.920 0.341 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.370 10.302 -1.294 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.175 10.679 -3.298 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.460 10.215 -3.192 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.699 8.979 -3.517 1.00 0.00 H new ATOM 406 N LEU A 69 1.754 5.846 -0.646 1.00 0.00 N ATOM 407 CA LEU A 69 2.035 4.422 -0.504 1.00 0.00 C ATOM 408 C LEU A 69 2.956 4.176 0.684 1.00 0.00 C ATOM 409 O LEU A 69 2.725 3.270 1.485 1.00 0.00 O ATOM 410 CB LEU A 69 2.669 3.881 -1.785 1.00 0.00 C ATOM 411 CG LEU A 69 1.676 3.398 -2.842 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.312 3.422 -4.223 1.00 0.00 C ATOM 413 CD2 LEU A 69 1.179 2.000 -2.506 1.00 0.00 C ATOM 0 H LEU A 69 2.053 6.247 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 69 1.096 3.898 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.291 4.662 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.330 3.055 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 69 0.822 4.075 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.590 3.075 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.618 4.440 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.184 2.769 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.473 1.672 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.024 1.312 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.684 2.013 -1.535 1.00 0.00 H new ATOM 425 N LYS A 70 3.998 4.995 0.798 1.00 0.00 N ATOM 426 CA LYS A 70 4.951 4.875 1.895 1.00 0.00 C ATOM 427 C LYS A 70 4.226 4.849 3.238 1.00 0.00 C ATOM 428 O LYS A 70 4.656 4.177 4.175 1.00 0.00 O ATOM 429 CB LYS A 70 5.952 6.032 1.859 1.00 0.00 C ATOM 430 CG LYS A 70 7.399 5.580 1.743 1.00 0.00 C ATOM 431 CD LYS A 70 8.082 6.192 0.529 1.00 0.00 C ATOM 432 CE LYS A 70 9.112 5.246 -0.066 1.00 0.00 C ATOM 433 NZ LYS A 70 10.460 5.444 0.535 1.00 0.00 N ATOM 0 H LYS A 70 4.203 5.749 0.143 1.00 0.00 H new ATOM 0 HA LYS A 70 5.493 3.937 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.714 6.681 1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.838 6.629 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.942 5.860 2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.437 4.493 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.334 6.438 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.566 7.126 0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.792 4.216 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.168 5.402 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.134 4.780 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.777 6.420 0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.412 5.271 1.559 1.00 0.00 H new ATOM 447 N GLU A 71 3.123 5.587 3.320 1.00 0.00 N ATOM 448 CA GLU A 71 2.332 5.653 4.545 1.00 0.00 C ATOM 449 C GLU A 71 1.883 4.262 4.978 1.00 0.00 C ATOM 450 O GLU A 71 2.134 3.844 6.109 1.00 0.00 O ATOM 451 CB GLU A 71 1.115 6.557 4.344 1.00 0.00 C ATOM 452 CG GLU A 71 0.432 6.955 5.643 1.00 0.00 C ATOM 453 CD GLU A 71 1.287 7.873 6.494 1.00 0.00 C ATOM 454 OE1 GLU A 71 2.165 7.362 7.221 1.00 0.00 O ATOM 455 OE2 GLU A 71 1.078 9.103 6.435 1.00 0.00 O ATOM 0 H GLU A 71 2.756 6.149 2.552 1.00 0.00 H new ATOM 0 HA GLU A 71 2.960 6.073 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.426 7.458 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.394 6.046 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.512 7.451 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.191 6.057 6.213 1.00 0.00 H new ATOM 462 N ALA A 72 1.223 3.545 4.072 1.00 0.00 N ATOM 463 CA ALA A 72 0.750 2.199 4.368 1.00 0.00 C ATOM 464 C ALA A 72 1.908 1.310 4.800 1.00 0.00 C ATOM 465 O ALA A 72 1.843 0.641 5.831 1.00 0.00 O ATOM 466 CB ALA A 72 0.046 1.606 3.157 1.00 0.00 C ATOM 0 H ALA A 72 1.005 3.873 3.131 1.00 0.00 H new ATOM 0 HA ALA A 72 0.036 2.256 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.301 0.600 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.806 2.231 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.741 1.561 2.318 1.00 0.00 H new ATOM 472 N CYS A 73 2.974 1.318 4.006 1.00 0.00 N ATOM 473 CA CYS A 73 4.156 0.523 4.309 1.00 0.00 C ATOM 474 C CYS A 73 4.758 0.948 5.645 1.00 0.00 C ATOM 475 O CYS A 73 5.198 0.112 6.433 1.00 0.00 O ATOM 476 CB CYS A 73 5.196 0.669 3.196 1.00 0.00 C ATOM 477 SG CYS A 73 4.935 -0.442 1.794 1.00 0.00 S ATOM 0 H CYS A 73 3.042 1.866 3.149 1.00 0.00 H new ATOM 0 HA CYS A 73 3.857 -0.523 4.377 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.187 1.698 2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.187 0.485 3.612 1.00 0.00 H new ATOM 0 HG CYS A 73 6.080 -0.729 1.249 1.00 0.00 H new ATOM 483 N ARG A 74 4.771 2.255 5.893 1.00 0.00 N ATOM 484 CA ARG A 74 5.315 2.792 7.135 1.00 0.00 C ATOM 485 C ARG A 74 4.522 2.286 8.335 1.00 0.00 C ATOM 486 O ARG A 74 5.084 2.030 9.400 1.00 0.00 O ATOM 487 CB ARG A 74 5.298 4.322 7.106 1.00 0.00 C ATOM 488 CG ARG A 74 6.032 4.960 8.274 1.00 0.00 C ATOM 489 CD ARG A 74 5.149 5.950 9.018 1.00 0.00 C ATOM 490 NE ARG A 74 3.894 5.344 9.455 1.00 0.00 N ATOM 491 CZ ARG A 74 3.123 5.846 10.417 1.00 0.00 C ATOM 492 NH1 ARG A 74 3.473 6.963 11.043 1.00 0.00 N ATOM 493 NH2 ARG A 74 1.997 5.231 10.753 1.00 0.00 N ATOM 0 H ARG A 74 4.411 2.961 5.250 1.00 0.00 H new ATOM 0 HA ARG A 74 6.346 2.450 7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.748 4.665 6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.264 4.666 7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.368 4.183 8.961 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.924 5.470 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.687 6.335 9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.935 6.801 8.372 1.00 0.00 H new ATOM 0 HE ARG A 74 3.590 4.485 8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.337 7.441 10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.878 7.343 11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.722 4.373 10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.406 5.616 11.490 1.00 0.00 H new ATOM 507 N ALA A 75 3.214 2.142 8.152 1.00 0.00 N ATOM 508 CA ALA A 75 2.342 1.664 9.217 1.00 0.00 C ATOM 509 C ALA A 75 2.420 0.147 9.344 1.00 0.00 C ATOM 510 O ALA A 75 2.242 -0.406 10.429 1.00 0.00 O ATOM 511 CB ALA A 75 0.907 2.101 8.962 1.00 0.00 C ATOM 0 H ALA A 75 2.735 2.350 7.276 1.00 0.00 H new ATOM 0 HA ALA A 75 2.680 2.102 10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.267 1.737 9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.859 3.189 8.925 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.565 1.691 8.012 1.00 0.00 H new ATOM 517 N TYR A 76 2.688 -0.520 8.226 1.00 0.00 N ATOM 518 CA TYR A 76 2.790 -1.974 8.209 1.00 0.00 C ATOM 519 C TYR A 76 4.191 -2.430 8.610 1.00 0.00 C ATOM 520 O TYR A 76 4.370 -3.532 9.129 1.00 0.00 O ATOM 521 CB TYR A 76 2.445 -2.511 6.819 1.00 0.00 C ATOM 522 CG TYR A 76 0.966 -2.748 6.610 1.00 0.00 C ATOM 523 CD1 TYR A 76 0.019 -1.905 7.177 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.518 -3.818 5.845 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.333 -2.121 6.989 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.832 -4.040 5.652 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.753 -3.190 6.226 1.00 0.00 C ATOM 528 OH TYR A 76 -3.097 -3.409 6.037 1.00 0.00 O ATOM 0 H TYR A 76 2.838 -0.076 7.320 1.00 0.00 H new ATOM 0 HA TYR A 76 2.079 -2.371 8.934 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.801 -1.806 6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.981 -3.446 6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.345 -1.067 7.775 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.236 -4.487 5.394 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.057 -1.456 7.437 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.164 -4.876 5.054 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.343 -4.279 6.416 1.00 0.00 H new ATOM 538 N GLY A 77 5.181 -1.576 8.368 1.00 0.00 N ATOM 539 CA GLY A 77 6.550 -1.911 8.712 1.00 0.00 C ATOM 540 C GLY A 77 7.295 -2.572 7.568 1.00 0.00 C ATOM 541 O GLY A 77 8.254 -3.312 7.789 1.00 0.00 O ATOM 0 H GLY A 77 5.059 -0.658 7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.078 -1.005 9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.551 -2.578 9.574 1.00 0.00 H new ATOM 545 N LEU A 78 6.855 -2.304 6.343 1.00 0.00 N ATOM 546 CA LEU A 78 7.488 -2.879 5.161 1.00 0.00 C ATOM 547 C LEU A 78 8.738 -2.093 4.776 1.00 0.00 C ATOM 548 O LEU A 78 9.139 -1.163 5.476 1.00 0.00 O ATOM 549 CB LEU A 78 6.502 -2.903 3.990 1.00 0.00 C ATOM 550 CG LEU A 78 5.737 -4.216 3.815 1.00 0.00 C ATOM 551 CD1 LEU A 78 6.683 -5.336 3.411 1.00 0.00 C ATOM 552 CD2 LEU A 78 4.996 -4.576 5.095 1.00 0.00 C ATOM 0 H LEU A 78 6.063 -1.693 6.143 1.00 0.00 H new ATOM 0 HA LEU A 78 7.784 -3.901 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.782 -2.096 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.048 -2.693 3.070 1.00 0.00 H new ATOM 0 HG LEU A 78 5.004 -4.084 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.121 -6.262 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.167 -5.081 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.440 -5.469 4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.457 -5.513 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.711 -4.689 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.288 -3.784 5.341 1.00 0.00 H new ATOM 564 N LYS A 79 9.348 -2.474 3.658 1.00 0.00 N ATOM 565 CA LYS A 79 10.553 -1.806 3.178 1.00 0.00 C ATOM 566 C LYS A 79 10.214 -0.760 2.119 1.00 0.00 C ATOM 567 O LYS A 79 10.963 0.196 1.916 1.00 0.00 O ATOM 568 CB LYS A 79 11.535 -2.829 2.604 1.00 0.00 C ATOM 569 CG LYS A 79 12.958 -2.307 2.487 1.00 0.00 C ATOM 570 CD LYS A 79 13.149 -1.491 1.219 1.00 0.00 C ATOM 571 CE LYS A 79 14.512 -1.742 0.593 1.00 0.00 C ATOM 572 NZ LYS A 79 15.448 -0.609 0.828 1.00 0.00 N ATOM 0 H LYS A 79 9.028 -3.242 3.068 1.00 0.00 H new ATOM 0 HA LYS A 79 11.018 -1.301 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.533 -3.717 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.189 -3.140 1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.194 -1.692 3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.655 -3.145 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.367 -1.742 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.043 -0.431 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.938 -2.656 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.395 -1.900 -0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.365 -0.819 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.054 0.259 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.580 -0.474 1.851 1.00 0.00 H new ATOM 586 N SER A 80 9.081 -0.946 1.446 1.00 0.00 N ATOM 587 CA SER A 80 8.640 -0.019 0.406 1.00 0.00 C ATOM 588 C SER A 80 9.757 0.261 -0.596 1.00 0.00 C ATOM 589 O SER A 80 10.841 -0.314 -0.511 1.00 0.00 O ATOM 590 CB SER A 80 8.159 1.293 1.031 1.00 0.00 C ATOM 591 OG SER A 80 8.780 1.523 2.284 1.00 0.00 O ATOM 0 H SER A 80 8.450 -1.732 1.603 1.00 0.00 H new ATOM 0 HA SER A 80 7.812 -0.486 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.377 2.121 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.077 1.263 1.159 1.00 0.00 H new ATOM 0 HG SER A 80 8.456 2.368 2.660 1.00 0.00 H new ATOM 597 N GLY A 81 9.482 1.149 -1.547 1.00 0.00 N ATOM 598 CA GLY A 81 10.471 1.490 -2.552 1.00 0.00 C ATOM 599 C GLY A 81 10.105 2.742 -3.326 1.00 0.00 C ATOM 600 O GLY A 81 8.947 3.159 -3.333 1.00 0.00 O ATOM 0 H GLY A 81 8.592 1.638 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.438 1.634 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.581 0.657 -3.246 1.00 0.00 H new ATOM 604 N LEU A 82 11.095 3.342 -3.978 1.00 0.00 N ATOM 605 CA LEU A 82 10.873 4.555 -4.758 1.00 0.00 C ATOM 606 C LEU A 82 10.283 4.235 -6.132 1.00 0.00 C ATOM 607 O LEU A 82 9.953 5.140 -6.898 1.00 0.00 O ATOM 608 CB LEU A 82 12.185 5.325 -4.923 1.00 0.00 C ATOM 609 CG LEU A 82 12.817 5.813 -3.615 1.00 0.00 C ATOM 610 CD1 LEU A 82 14.135 5.098 -3.357 1.00 0.00 C ATOM 611 CD2 LEU A 82 13.026 7.320 -3.651 1.00 0.00 C ATOM 0 H LEU A 82 12.059 3.009 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 82 10.157 5.172 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.902 4.686 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.005 6.187 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 82 12.134 5.580 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.568 5.458 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.959 4.025 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.824 5.298 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.476 7.647 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.687 7.576 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.066 7.817 -3.786 1.00 0.00 H new ATOM 623 N LYS A 83 10.152 2.946 -6.441 1.00 0.00 N ATOM 624 CA LYS A 83 9.601 2.521 -7.724 1.00 0.00 C ATOM 625 C LYS A 83 8.072 2.566 -7.722 1.00 0.00 C ATOM 626 O LYS A 83 7.435 2.199 -8.709 1.00 0.00 O ATOM 627 CB LYS A 83 10.078 1.108 -8.061 1.00 0.00 C ATOM 628 CG LYS A 83 10.436 0.923 -9.526 1.00 0.00 C ATOM 629 CD LYS A 83 10.244 -0.519 -9.968 1.00 0.00 C ATOM 630 CE LYS A 83 9.009 -0.678 -10.841 1.00 0.00 C ATOM 631 NZ LYS A 83 8.218 -1.884 -10.470 1.00 0.00 N ATOM 0 H LYS A 83 10.419 2.181 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 83 9.958 3.216 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.949 0.871 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.297 0.396 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.817 1.578 -10.139 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.472 1.220 -9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.124 -0.852 -10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.155 -1.160 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.383 0.209 -10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.310 -0.749 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.279 -1.833 -10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.711 -2.738 -10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.111 -1.925 -9.436 1.00 0.00 H new ATOM 645 N LYS A 84 7.487 3.014 -6.611 1.00 0.00 N ATOM 646 CA LYS A 84 6.035 3.101 -6.488 1.00 0.00 C ATOM 647 C LYS A 84 5.403 1.712 -6.487 1.00 0.00 C ATOM 648 O LYS A 84 4.966 1.222 -5.446 1.00 0.00 O ATOM 649 CB LYS A 84 5.448 3.947 -7.623 1.00 0.00 C ATOM 650 CG LYS A 84 3.956 4.197 -7.486 1.00 0.00 C ATOM 651 CD LYS A 84 3.372 4.796 -8.756 1.00 0.00 C ATOM 652 CE LYS A 84 3.890 6.204 -8.998 1.00 0.00 C ATOM 653 NZ LYS A 84 3.064 7.228 -8.300 1.00 0.00 N ATOM 0 H LYS A 84 7.998 3.322 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 84 5.807 3.583 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.967 4.905 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.639 3.448 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.448 3.260 -7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.774 4.870 -6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.624 4.163 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.285 4.815 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.922 6.275 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.895 6.410 -10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.294 8.172 -8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.056 7.029 -8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.264 7.199 -7.280 1.00 0.00 H new ATOM 667 N GLN A 85 5.362 1.080 -7.657 1.00 0.00 N ATOM 668 CA GLN A 85 4.787 -0.256 -7.789 1.00 0.00 C ATOM 669 C GLN A 85 5.315 -1.192 -6.706 1.00 0.00 C ATOM 670 O GLN A 85 4.622 -2.113 -6.276 1.00 0.00 O ATOM 671 CB GLN A 85 5.097 -0.831 -9.171 1.00 0.00 C ATOM 672 CG GLN A 85 4.025 -1.774 -9.693 1.00 0.00 C ATOM 673 CD GLN A 85 3.089 -1.105 -10.679 1.00 0.00 C ATOM 674 OE1 GLN A 85 2.934 0.116 -10.675 1.00 0.00 O ATOM 675 NE2 GLN A 85 2.459 -1.903 -11.533 1.00 0.00 N ATOM 0 H GLN A 85 5.720 1.472 -8.528 1.00 0.00 H new ATOM 0 HA GLN A 85 3.707 -0.170 -7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.222 -0.010 -9.877 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.048 -1.363 -9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.501 -2.629 -10.173 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.447 -2.161 -8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.617 -2.910 -11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.817 -1.509 -12.221 1.00 0.00 H new ATOM 684 N GLU A 86 6.546 -0.950 -6.270 1.00 0.00 N ATOM 685 CA GLU A 86 7.164 -1.772 -5.236 1.00 0.00 C ATOM 686 C GLU A 86 6.352 -1.721 -3.947 1.00 0.00 C ATOM 687 O GLU A 86 6.242 -2.716 -3.232 1.00 0.00 O ATOM 688 CB GLU A 86 8.598 -1.310 -4.972 1.00 0.00 C ATOM 689 CG GLU A 86 9.381 -2.243 -4.063 1.00 0.00 C ATOM 690 CD GLU A 86 10.855 -2.297 -4.414 1.00 0.00 C ATOM 691 OE1 GLU A 86 11.184 -2.755 -5.528 1.00 0.00 O ATOM 692 OE2 GLU A 86 11.680 -1.880 -3.574 1.00 0.00 O ATOM 0 H GLU A 86 7.135 -0.192 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 86 7.186 -2.803 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.122 -1.219 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.574 -0.316 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.269 -1.916 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.959 -3.246 -4.127 1.00 0.00 H new ATOM 699 N LEU A 87 5.774 -0.559 -3.661 1.00 0.00 N ATOM 700 CA LEU A 87 4.961 -0.390 -2.464 1.00 0.00 C ATOM 701 C LEU A 87 3.763 -1.326 -2.518 1.00 0.00 C ATOM 702 O LEU A 87 3.410 -1.963 -1.526 1.00 0.00 O ATOM 703 CB LEU A 87 4.491 1.063 -2.339 1.00 0.00 C ATOM 704 CG LEU A 87 5.611 2.090 -2.134 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.461 3.256 -3.102 1.00 0.00 C ATOM 706 CD2 LEU A 87 5.623 2.587 -0.697 1.00 0.00 C ATOM 0 H LEU A 87 5.854 0.277 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 87 5.565 -0.634 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.935 1.328 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.796 1.134 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 87 6.563 1.600 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.267 3.971 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.507 2.887 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.502 3.746 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.424 3.315 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.667 3.056 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.787 1.746 -0.023 1.00 0.00 H new ATOM 718 N LEU A 88 3.153 -1.415 -3.695 1.00 0.00 N ATOM 719 CA LEU A 88 2.004 -2.289 -3.897 1.00 0.00 C ATOM 720 C LEU A 88 2.322 -3.699 -3.421 1.00 0.00 C ATOM 721 O LEU A 88 1.616 -4.257 -2.583 1.00 0.00 O ATOM 722 CB LEU A 88 1.603 -2.321 -5.375 1.00 0.00 C ATOM 723 CG LEU A 88 0.888 -1.071 -5.899 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.588 0.196 -5.426 1.00 0.00 C ATOM 725 CD2 LEU A 88 0.819 -1.106 -7.419 1.00 0.00 C ATOM 0 H LEU A 88 3.436 -0.892 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 88 1.171 -1.895 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.501 -2.480 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.955 -3.182 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.126 -1.063 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.061 1.069 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.590 0.225 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.615 0.202 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.309 -0.213 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.829 -1.138 -7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.270 -1.992 -7.738 1.00 0.00 H new ATOM 737 N GLU A 89 3.397 -4.268 -3.962 1.00 0.00 N ATOM 738 CA GLU A 89 3.816 -5.614 -3.591 1.00 0.00 C ATOM 739 C GLU A 89 3.899 -5.759 -2.077 1.00 0.00 C ATOM 740 O GLU A 89 3.326 -6.683 -1.503 1.00 0.00 O ATOM 741 CB GLU A 89 5.165 -5.950 -4.227 1.00 0.00 C ATOM 742 CG GLU A 89 5.433 -7.442 -4.331 1.00 0.00 C ATOM 743 CD GLU A 89 6.335 -7.793 -5.498 1.00 0.00 C ATOM 744 OE1 GLU A 89 7.471 -7.274 -5.547 1.00 0.00 O ATOM 745 OE2 GLU A 89 5.907 -8.586 -6.362 1.00 0.00 O ATOM 0 H GLU A 89 3.992 -3.817 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 89 3.068 -6.314 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.207 -5.511 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.959 -5.487 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.891 -7.790 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.486 -7.971 -4.437 1.00 0.00 H new ATOM 752 N ALA A 90 4.605 -4.835 -1.430 1.00 0.00 N ATOM 753 CA ALA A 90 4.739 -4.870 0.020 1.00 0.00 C ATOM 754 C ALA A 90 3.366 -4.956 0.672 1.00 0.00 C ATOM 755 O ALA A 90 3.146 -5.752 1.585 1.00 0.00 O ATOM 756 CB ALA A 90 5.495 -3.645 0.515 1.00 0.00 C ATOM 0 H ALA A 90 5.089 -4.060 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 90 5.310 -5.756 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.586 -3.688 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.489 -3.626 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.952 -2.743 0.231 1.00 0.00 H new ATOM 762 N LEU A 91 2.442 -4.139 0.181 1.00 0.00 N ATOM 763 CA LEU A 91 1.082 -4.126 0.695 1.00 0.00 C ATOM 764 C LEU A 91 0.373 -5.427 0.363 1.00 0.00 C ATOM 765 O LEU A 91 -0.095 -6.139 1.251 1.00 0.00 O ATOM 766 CB LEU A 91 0.306 -2.957 0.096 1.00 0.00 C ATOM 767 CG LEU A 91 0.498 -1.616 0.813 1.00 0.00 C ATOM 768 CD1 LEU A 91 0.898 -0.530 -0.176 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.769 -1.224 1.561 1.00 0.00 C ATOM 0 H LEU A 91 2.613 -3.476 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 91 1.127 -4.014 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.602 -2.840 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.755 -3.205 0.100 1.00 0.00 H new ATOM 0 HG LEU A 91 1.303 -1.727 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.029 0.414 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.834 -0.807 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.118 -0.418 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.614 -0.269 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.595 -1.132 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.007 -1.989 2.300 1.00 0.00 H new ATOM 781 N THR A 92 0.303 -5.731 -0.927 1.00 0.00 N ATOM 782 CA THR A 92 -0.341 -6.947 -1.391 1.00 0.00 C ATOM 783 C THR A 92 0.193 -8.153 -0.623 1.00 0.00 C ATOM 784 O THR A 92 -0.571 -8.905 -0.021 1.00 0.00 O ATOM 785 CB THR A 92 -0.114 -7.104 -2.898 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.089 -6.378 -3.625 1.00 0.00 O ATOM 787 CG2 THR A 92 -0.158 -8.535 -3.383 1.00 0.00 C ATOM 0 H THR A 92 0.687 -5.148 -1.671 1.00 0.00 H new ATOM 0 HA THR A 92 -1.414 -6.884 -1.208 1.00 0.00 H new ATOM 0 HB THR A 92 0.891 -6.719 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.929 -6.487 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.012 -8.560 -4.459 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.617 -9.114 -2.880 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.134 -8.965 -3.160 1.00 0.00 H new ATOM 795 N LYS A 93 1.511 -8.322 -0.640 1.00 0.00 N ATOM 796 CA LYS A 93 2.153 -9.425 0.066 1.00 0.00 C ATOM 797 C LYS A 93 1.632 -9.539 1.498 1.00 0.00 C ATOM 798 O LYS A 93 1.595 -10.629 2.070 1.00 0.00 O ATOM 799 CB LYS A 93 3.671 -9.238 0.079 1.00 0.00 C ATOM 800 CG LYS A 93 4.377 -9.907 -1.089 1.00 0.00 C ATOM 801 CD LYS A 93 5.886 -9.738 -1.000 1.00 0.00 C ATOM 802 CE LYS A 93 6.441 -10.353 0.275 1.00 0.00 C ATOM 803 NZ LYS A 93 7.793 -10.939 0.067 1.00 0.00 N ATOM 0 H LYS A 93 2.157 -7.708 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 93 1.911 -10.347 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.897 -8.172 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.070 -9.638 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.129 -10.968 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.017 -9.481 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.357 -10.204 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.137 -8.678 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.492 -9.591 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.761 -11.127 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.135 -11.348 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.741 -11.684 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.449 -10.196 -0.247 1.00 0.00 H new ATOM 817 N HIS A 94 1.245 -8.404 2.077 1.00 0.00 N ATOM 818 CA HIS A 94 0.744 -8.381 3.448 1.00 0.00 C ATOM 819 C HIS A 94 -0.696 -8.882 3.539 1.00 0.00 C ATOM 820 O HIS A 94 -1.176 -9.201 4.627 1.00 0.00 O ATOM 821 CB HIS A 94 0.837 -6.967 4.022 1.00 0.00 C ATOM 822 CG HIS A 94 1.021 -6.940 5.507 1.00 0.00 C ATOM 823 ND1 HIS A 94 2.243 -7.126 6.119 1.00 0.00 N ATOM 824 CD2 HIS A 94 0.127 -6.747 6.507 1.00 0.00 C ATOM 825 CE1 HIS A 94 2.093 -7.051 7.430 1.00 0.00 C ATOM 826 NE2 HIS A 94 0.820 -6.821 7.691 1.00 0.00 N ATOM 0 H HIS A 94 1.269 -7.493 1.620 1.00 0.00 H new ATOM 0 HA HIS A 94 1.369 -9.055 4.033 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.670 -6.445 3.550 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.069 -6.418 3.765 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.932 -6.568 6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.879 -7.159 8.163 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.416 -6.715 8.622 1.00 0.00 H new ATOM 835 N PHE A 95 -1.389 -8.949 2.405 1.00 0.00 N ATOM 836 CA PHE A 95 -2.772 -9.412 2.398 1.00 0.00 C ATOM 837 C PHE A 95 -3.102 -10.154 1.107 1.00 0.00 C ATOM 838 O PHE A 95 -4.231 -10.098 0.619 1.00 0.00 O ATOM 839 CB PHE A 95 -3.721 -8.235 2.588 1.00 0.00 C ATOM 840 CG PHE A 95 -4.558 -8.361 3.832 1.00 0.00 C ATOM 841 CD1 PHE A 95 -5.703 -9.141 3.847 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.189 -7.695 4.989 1.00 0.00 C ATOM 843 CE1 PHE A 95 -6.465 -9.252 4.997 1.00 0.00 C ATOM 844 CE2 PHE A 95 -4.945 -7.799 6.140 1.00 0.00 C ATOM 845 CZ PHE A 95 -6.086 -8.579 6.144 1.00 0.00 C ATOM 0 H PHE A 95 -1.020 -8.692 1.490 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.898 -10.109 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.144 -7.312 2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.376 -8.158 1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.004 -9.667 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.297 -7.086 4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.355 -9.864 4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -4.646 -7.273 7.034 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.681 -8.663 7.042 1.00 0.00 H new ATOM 855 N GLN A 96 -2.111 -10.849 0.560 1.00 0.00 N ATOM 856 CA GLN A 96 -2.297 -11.604 -0.674 1.00 0.00 C ATOM 857 C GLN A 96 -3.139 -12.851 -0.426 1.00 0.00 C ATOM 858 O GLN A 96 -2.750 -13.732 0.341 1.00 0.00 O ATOM 859 CB GLN A 96 -0.943 -11.997 -1.266 1.00 0.00 C ATOM 860 CG GLN A 96 -1.027 -12.488 -2.702 1.00 0.00 C ATOM 861 CD GLN A 96 -0.450 -11.497 -3.694 1.00 0.00 C ATOM 862 OE1 GLN A 96 0.756 -11.247 -3.710 1.00 0.00 O ATOM 863 NE2 GLN A 96 -1.310 -10.925 -4.528 1.00 0.00 N ATOM 0 H GLN A 96 -1.171 -10.905 0.951 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.824 -10.967 -1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.274 -11.138 -1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.499 -12.778 -0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.495 -13.435 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.069 -12.684 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.301 -11.161 -4.480 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.980 -10.249 -5.217 1.00 0.00 H new