USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot -29:sc= -0.166 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl -117:sc= -0.169 (180deg=-2.89!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0.786 (180deg=0.783) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 SER OG : rot -16:sc= -1.96! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0271 K(o=-0.027,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= -1.08 (180deg=-2.14!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.0271 (180deg=-0.283) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -4.35! C(o=-4.3!,f=-5.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 52 TYR OH : rot 50:sc= -3.13 USER MOD Single : A 54 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.58) USER MOD Single : A 55 SER OG : rot 49:sc= 1.19 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -13.4! C(o=-16!,f=-13!) USER MOD Single : A 68 THR OG1 : rot -143:sc= -0.413! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -170:sc= 0.143 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 65 N SER A 5 2.741 -7.403 -3.179 1.00 0.00 N ATOM 66 CA SER A 5 3.200 -6.696 -1.997 1.00 0.00 C ATOM 67 C SER A 5 4.013 -5.464 -2.404 1.00 0.00 C ATOM 68 O SER A 5 3.561 -4.334 -2.232 1.00 0.00 O ATOM 69 CB SER A 5 4.037 -7.610 -1.098 1.00 0.00 C ATOM 70 OG SER A 5 3.618 -7.550 0.262 1.00 0.00 O ATOM 0 HA SER A 5 2.325 -6.375 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.962 -8.637 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.087 -7.324 -1.167 1.00 0.00 H new ATOM 0 HG SER A 5 3.237 -6.666 0.448 1.00 0.00 H new ATOM 76 N CYS A 6 5.197 -5.727 -2.939 1.00 0.00 N ATOM 77 CA CYS A 6 6.075 -4.654 -3.373 1.00 0.00 C ATOM 78 C CYS A 6 5.225 -3.585 -4.062 1.00 0.00 C ATOM 79 O CYS A 6 5.215 -2.429 -3.644 1.00 0.00 O ATOM 80 CB CYS A 6 7.191 -5.171 -4.284 1.00 0.00 C ATOM 81 SG CYS A 6 8.565 -3.993 -4.558 1.00 0.00 S ATOM 0 H CYS A 6 5.568 -6.666 -3.081 1.00 0.00 H new ATOM 0 HA CYS A 6 6.574 -4.217 -2.508 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.597 -6.087 -3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.760 -5.435 -5.249 1.00 0.00 H new ATOM 86 N GLN A 7 4.531 -4.011 -5.108 1.00 0.00 N ATOM 87 CA GLN A 7 3.680 -3.105 -5.860 1.00 0.00 C ATOM 88 C GLN A 7 2.734 -2.359 -4.916 1.00 0.00 C ATOM 89 O GLN A 7 2.678 -1.131 -4.930 1.00 0.00 O ATOM 90 CB GLN A 7 2.898 -3.856 -6.939 1.00 0.00 C ATOM 91 CG GLN A 7 3.605 -3.763 -8.293 1.00 0.00 C ATOM 92 CD GLN A 7 2.625 -3.359 -9.397 1.00 0.00 C ATOM 93 OE1 GLN A 7 1.935 -4.179 -9.981 1.00 0.00 O ATOM 94 NE2 GLN A 7 2.603 -2.054 -9.649 1.00 0.00 N ATOM 0 H GLN A 7 4.541 -4.971 -5.452 1.00 0.00 H new ATOM 0 HA GLN A 7 4.314 -2.373 -6.361 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.789 -4.902 -6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.893 -3.441 -7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.414 -3.035 -8.236 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.058 -4.724 -8.538 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.207 -1.423 -9.123 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.982 -1.684 -10.369 1.00 0.00 H new ATOM 103 N MET A 8 2.015 -3.134 -4.118 1.00 0.00 N ATOM 104 CA MET A 8 1.074 -2.563 -3.169 1.00 0.00 C ATOM 105 C MET A 8 1.701 -1.388 -2.415 1.00 0.00 C ATOM 106 O MET A 8 1.064 -0.352 -2.232 1.00 0.00 O ATOM 107 CB MET A 8 0.640 -3.637 -2.170 1.00 0.00 C ATOM 108 CG MET A 8 -0.078 -4.787 -2.880 1.00 0.00 C ATOM 109 SD MET A 8 -1.092 -5.685 -1.717 1.00 0.00 S ATOM 110 CE MET A 8 -2.282 -6.406 -2.835 1.00 0.00 C ATOM 0 H MET A 8 2.065 -4.153 -4.109 1.00 0.00 H new ATOM 0 HA MET A 8 0.208 -2.197 -3.721 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.512 -4.020 -1.640 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.020 -3.198 -1.422 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.696 -4.397 -3.688 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.652 -5.458 -3.333 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.276 -6.023 -2.604 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.022 -6.145 -3.861 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.276 -7.490 -2.723 1.00 0.00 H new ATOM 120 N CYS A 9 2.942 -1.590 -1.997 1.00 0.00 N ATOM 121 CA CYS A 9 3.663 -0.561 -1.267 1.00 0.00 C ATOM 122 C CYS A 9 3.733 0.691 -2.145 1.00 0.00 C ATOM 123 O CYS A 9 3.704 1.811 -1.638 1.00 0.00 O ATOM 124 CB CYS A 9 5.052 -1.038 -0.839 1.00 0.00 C ATOM 125 SG CYS A 9 6.330 0.272 -0.783 1.00 0.00 S ATOM 0 H CYS A 9 3.467 -2.451 -2.150 1.00 0.00 H new ATOM 0 HA CYS A 9 3.133 -0.327 -0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.976 -1.494 0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.381 -1.818 -1.526 1.00 0.00 H new ATOM 130 N GLU A 10 3.826 0.457 -3.446 1.00 0.00 N ATOM 131 CA GLU A 10 3.902 1.551 -4.398 1.00 0.00 C ATOM 132 C GLU A 10 2.520 2.178 -4.599 1.00 0.00 C ATOM 133 O GLU A 10 2.389 3.199 -5.272 1.00 0.00 O ATOM 134 CB GLU A 10 4.488 1.079 -5.731 1.00 0.00 C ATOM 135 CG GLU A 10 5.887 1.658 -5.950 1.00 0.00 C ATOM 136 CD GLU A 10 6.263 1.638 -7.433 1.00 0.00 C ATOM 137 OE1 GLU A 10 6.401 0.517 -7.968 1.00 0.00 O ATOM 138 OE2 GLU A 10 6.403 2.745 -7.998 1.00 0.00 O ATOM 0 H GLU A 10 3.850 -0.474 -3.862 1.00 0.00 H new ATOM 0 HA GLU A 10 4.570 2.312 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.535 -0.010 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.833 1.382 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.924 2.681 -5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.616 1.083 -5.379 1.00 0.00 H new ATOM 146 N LEU A 11 1.525 1.539 -4.002 1.00 0.00 N ATOM 147 CA LEU A 11 0.157 2.020 -4.106 1.00 0.00 C ATOM 148 C LEU A 11 -0.149 2.934 -2.918 1.00 0.00 C ATOM 149 O LEU A 11 -0.745 3.997 -3.085 1.00 0.00 O ATOM 150 CB LEU A 11 -0.815 0.847 -4.247 1.00 0.00 C ATOM 151 CG LEU A 11 -2.301 1.207 -4.264 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.595 2.277 -5.315 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.165 -0.041 -4.459 1.00 0.00 C ATOM 0 H LEU A 11 1.638 0.692 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 11 0.031 2.617 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.580 0.315 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.639 0.154 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.560 1.630 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.659 2.514 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.021 3.176 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.315 1.905 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.217 0.243 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.910 -0.516 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.984 -0.740 -3.642 1.00 0.00 H new ATOM 165 N VAL A 12 0.272 2.486 -1.744 1.00 0.00 N ATOM 166 CA VAL A 12 0.050 3.249 -0.529 1.00 0.00 C ATOM 167 C VAL A 12 0.887 4.529 -0.575 1.00 0.00 C ATOM 168 O VAL A 12 0.402 5.606 -0.230 1.00 0.00 O ATOM 169 CB VAL A 12 0.350 2.382 0.697 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.384 1.043 0.613 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.856 2.174 0.864 1.00 0.00 C ATOM 0 H VAL A 12 0.766 1.604 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.996 3.547 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.015 2.908 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.154 0.446 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.458 1.220 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.063 0.508 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.043 1.555 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.255 1.679 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.345 3.140 0.991 1.00 0.00 H new ATOM 181 N VAL A 13 2.131 4.370 -1.004 1.00 0.00 N ATOM 182 CA VAL A 13 3.040 5.498 -1.099 1.00 0.00 C ATOM 183 C VAL A 13 2.532 6.467 -2.169 1.00 0.00 C ATOM 184 O VAL A 13 2.271 7.635 -1.880 1.00 0.00 O ATOM 185 CB VAL A 13 4.463 5.003 -1.369 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.950 4.096 -0.238 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.548 4.290 -2.720 1.00 0.00 C ATOM 0 H VAL A 13 2.530 3.476 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 13 3.073 6.042 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 13 5.120 5.872 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.963 3.758 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.945 4.650 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.290 3.233 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.569 3.948 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.874 3.434 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.261 4.980 -3.514 1.00 0.00 H new ATOM 197 N LYS A 14 2.407 5.949 -3.381 1.00 0.00 N ATOM 198 CA LYS A 14 1.935 6.753 -4.495 1.00 0.00 C ATOM 199 C LYS A 14 0.695 7.539 -4.061 1.00 0.00 C ATOM 200 O LYS A 14 0.477 8.661 -4.515 1.00 0.00 O ATOM 201 CB LYS A 14 1.707 5.878 -5.729 1.00 0.00 C ATOM 202 CG LYS A 14 1.224 6.718 -6.914 1.00 0.00 C ATOM 203 CD LYS A 14 1.810 6.199 -8.229 1.00 0.00 C ATOM 204 CE LYS A 14 0.738 5.502 -9.071 1.00 0.00 C ATOM 205 NZ LYS A 14 0.823 5.938 -10.482 1.00 0.00 N ATOM 0 H LYS A 14 2.625 4.981 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 14 2.691 7.483 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.633 5.368 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.971 5.106 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.135 6.693 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.513 7.759 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.238 7.028 -8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.622 5.503 -8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.865 4.421 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.251 5.730 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.089 5.456 -11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.679 6.967 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.760 5.699 -10.863 1.00 0.00 H new ATOM 219 N LYS A 15 -0.085 6.918 -3.188 1.00 0.00 N ATOM 220 CA LYS A 15 -1.296 7.545 -2.688 1.00 0.00 C ATOM 221 C LYS A 15 -0.930 8.559 -1.603 1.00 0.00 C ATOM 222 O LYS A 15 -1.515 9.638 -1.533 1.00 0.00 O ATOM 223 CB LYS A 15 -2.297 6.485 -2.227 1.00 0.00 C ATOM 224 CG LYS A 15 -2.886 5.729 -3.421 1.00 0.00 C ATOM 225 CD LYS A 15 -3.779 6.644 -4.261 1.00 0.00 C ATOM 226 CE LYS A 15 -4.581 5.837 -5.284 1.00 0.00 C ATOM 227 NZ LYS A 15 -5.729 6.626 -5.782 1.00 0.00 N ATOM 0 H LYS A 15 0.099 5.987 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.796 8.097 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.804 5.783 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.099 6.959 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.080 5.333 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.464 4.876 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.460 7.192 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.166 7.384 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.938 5.554 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.937 4.913 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.282 6.051 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.333 6.904 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.381 7.479 -6.265 1.00 0.00 H new ATOM 241 N TYR A 16 0.037 8.175 -0.782 1.00 0.00 N ATOM 242 CA TYR A 16 0.488 9.037 0.297 1.00 0.00 C ATOM 243 C TYR A 16 1.383 10.160 -0.234 1.00 0.00 C ATOM 244 O TYR A 16 0.986 11.324 -0.242 1.00 0.00 O ATOM 245 CB TYR A 16 1.310 8.148 1.233 1.00 0.00 C ATOM 246 CG TYR A 16 1.931 8.893 2.416 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.591 10.209 2.656 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.829 8.250 3.242 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.176 10.912 3.769 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.414 8.952 4.355 1.00 0.00 C ATOM 251 CZ TYR A 16 3.059 10.248 4.563 1.00 0.00 C ATOM 252 OH TYR A 16 3.610 10.911 5.615 1.00 0.00 O ATOM 0 H TYR A 16 0.520 7.279 -0.843 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.363 9.499 0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.671 7.351 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.105 7.672 0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.887 10.711 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.094 7.220 3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.920 11.942 3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.119 8.460 5.009 1.00 0.00 H new ATOM 0 HH TYR A 16 2.980 11.587 5.942 1.00 0.00 H new ATOM 262 N GLU A 17 2.573 9.770 -0.666 1.00 0.00 N ATOM 263 CA GLU A 17 3.527 10.728 -1.198 1.00 0.00 C ATOM 264 C GLU A 17 2.814 11.747 -2.090 1.00 0.00 C ATOM 265 O GLU A 17 3.144 12.932 -2.070 1.00 0.00 O ATOM 266 CB GLU A 17 4.647 10.020 -1.962 1.00 0.00 C ATOM 267 CG GLU A 17 5.682 9.433 -0.999 1.00 0.00 C ATOM 268 CD GLU A 17 6.335 10.533 -0.160 1.00 0.00 C ATOM 269 OE1 GLU A 17 5.744 10.873 0.888 1.00 0.00 O ATOM 270 OE2 GLU A 17 7.409 11.009 -0.585 1.00 0.00 O ATOM 0 H GLU A 17 2.898 8.803 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 17 3.982 11.260 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.226 9.225 -2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.132 10.724 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.203 8.706 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.446 8.898 -1.563 1.00 0.00 H new ATOM 278 N GLY A 18 1.851 11.248 -2.850 1.00 0.00 N ATOM 279 CA GLY A 18 1.089 12.100 -3.748 1.00 0.00 C ATOM 280 C GLY A 18 -0.362 12.231 -3.280 1.00 0.00 C ATOM 281 O GLY A 18 -1.285 12.195 -4.091 1.00 0.00 O ATOM 0 H GLY A 18 1.580 10.265 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.550 13.087 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.114 11.686 -4.756 1.00 0.00 H new ATOM 285 N SER A 19 -0.517 12.379 -1.972 1.00 0.00 N ATOM 286 CA SER A 19 -1.840 12.515 -1.386 1.00 0.00 C ATOM 287 C SER A 19 -2.284 13.978 -1.432 1.00 0.00 C ATOM 288 O SER A 19 -3.332 14.296 -1.992 1.00 0.00 O ATOM 289 CB SER A 19 -1.860 11.998 0.053 1.00 0.00 C ATOM 290 OG SER A 19 -3.187 11.772 0.521 1.00 0.00 O ATOM 0 H SER A 19 0.251 12.408 -1.302 1.00 0.00 H new ATOM 0 HA SER A 19 -2.537 11.913 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.292 11.070 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.364 12.718 0.704 1.00 0.00 H new ATOM 0 HG SER A 19 -3.823 12.233 -0.065 1.00 0.00 H new ATOM 296 N ALA A 20 -1.465 14.831 -0.833 1.00 0.00 N ATOM 297 CA ALA A 20 -1.761 16.253 -0.798 1.00 0.00 C ATOM 298 C ALA A 20 -2.757 16.534 0.329 1.00 0.00 C ATOM 299 O ALA A 20 -3.092 17.689 0.592 1.00 0.00 O ATOM 300 CB ALA A 20 -2.284 16.700 -2.164 1.00 0.00 C ATOM 0 H ALA A 20 -0.597 14.564 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.858 16.828 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.506 17.767 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.528 16.506 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.192 16.147 -2.405 1.00 0.00 H new ATOM 306 N ASP A 21 -3.201 15.461 0.965 1.00 0.00 N ATOM 307 CA ASP A 21 -4.152 15.578 2.058 1.00 0.00 C ATOM 308 C ASP A 21 -3.468 15.183 3.368 1.00 0.00 C ATOM 309 O ASP A 21 -3.975 15.477 4.450 1.00 0.00 O ATOM 310 CB ASP A 21 -5.348 14.645 1.849 1.00 0.00 C ATOM 311 CG ASP A 21 -5.015 13.152 1.870 1.00 0.00 C ATOM 312 OD1 ASP A 21 -4.270 12.750 2.789 1.00 0.00 O ATOM 313 OD2 ASP A 21 -5.513 12.447 0.966 1.00 0.00 O ATOM 0 H ASP A 21 -2.920 14.506 0.745 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.501 16.610 2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.088 14.848 2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.814 14.885 0.893 1.00 0.00 H new ATOM 319 N LYS A 22 -2.328 14.524 3.228 1.00 0.00 N ATOM 320 CA LYS A 22 -1.568 14.088 4.388 1.00 0.00 C ATOM 321 C LYS A 22 -2.506 13.382 5.369 1.00 0.00 C ATOM 322 O LYS A 22 -2.778 13.897 6.452 1.00 0.00 O ATOM 323 CB LYS A 22 -0.805 15.262 5.002 1.00 0.00 C ATOM 324 CG LYS A 22 0.012 16.001 3.941 1.00 0.00 C ATOM 325 CD LYS A 22 1.173 15.138 3.444 1.00 0.00 C ATOM 326 CE LYS A 22 2.517 15.715 3.891 1.00 0.00 C ATOM 327 NZ LYS A 22 3.511 14.634 4.076 1.00 0.00 N ATOM 0 H LYS A 22 -1.911 14.281 2.329 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.808 13.364 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.507 15.951 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.143 14.899 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.631 16.269 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.398 16.932 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.065 14.122 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.144 15.075 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.879 16.426 3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.391 16.264 4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.417 15.044 4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.171 13.970 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.644 14.127 3.178 1.00 0.00 H new ATOM 341 N ASP A 23 -2.976 12.215 4.955 1.00 0.00 N ATOM 342 CA ASP A 23 -3.877 11.433 5.784 1.00 0.00 C ATOM 343 C ASP A 23 -3.757 9.955 5.408 1.00 0.00 C ATOM 344 O ASP A 23 -4.177 9.550 4.324 1.00 0.00 O ATOM 345 CB ASP A 23 -5.331 11.859 5.568 1.00 0.00 C ATOM 346 CG ASP A 23 -6.177 11.935 6.841 1.00 0.00 C ATOM 347 OD1 ASP A 23 -6.120 12.997 7.498 1.00 0.00 O ATOM 348 OD2 ASP A 23 -6.863 10.930 7.128 1.00 0.00 O ATOM 0 H ASP A 23 -2.749 11.792 4.055 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.603 11.596 6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.340 12.836 5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.801 11.158 4.878 1.00 0.00 H new ATOM 354 N ALA A 24 -3.183 9.189 6.324 1.00 0.00 N ATOM 355 CA ALA A 24 -3.002 7.764 6.102 1.00 0.00 C ATOM 356 C ALA A 24 -4.372 7.095 5.976 1.00 0.00 C ATOM 357 O ALA A 24 -4.465 5.936 5.574 1.00 0.00 O ATOM 358 CB ALA A 24 -2.165 7.173 7.239 1.00 0.00 C ATOM 0 H ALA A 24 -2.837 9.528 7.222 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.461 7.585 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.029 6.104 7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.192 7.663 7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.678 7.330 8.188 1.00 0.00 H new ATOM 364 N ASN A 25 -5.400 7.852 6.328 1.00 0.00 N ATOM 365 CA ASN A 25 -6.761 7.346 6.260 1.00 0.00 C ATOM 366 C ASN A 25 -7.265 7.446 4.819 1.00 0.00 C ATOM 367 O ASN A 25 -7.918 6.529 4.321 1.00 0.00 O ATOM 368 CB ASN A 25 -7.699 8.167 7.147 1.00 0.00 C ATOM 369 CG ASN A 25 -8.646 7.258 7.931 1.00 0.00 C ATOM 370 OD1 ASN A 25 -9.067 6.209 7.469 1.00 0.00 O ATOM 371 ND2 ASN A 25 -8.958 7.716 9.140 1.00 0.00 N ATOM 0 H ASN A 25 -5.318 8.813 6.661 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.754 6.312 6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.114 8.772 7.839 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.277 8.856 6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.585 7.182 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.571 8.602 9.465 1.00 0.00 H new ATOM 378 N VAL A 26 -6.943 8.565 4.189 1.00 0.00 N ATOM 379 CA VAL A 26 -7.355 8.796 2.814 1.00 0.00 C ATOM 380 C VAL A 26 -6.366 8.112 1.868 1.00 0.00 C ATOM 381 O VAL A 26 -6.622 8.003 0.670 1.00 0.00 O ATOM 382 CB VAL A 26 -7.491 10.298 2.554 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.317 10.563 1.294 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.094 11.012 3.766 1.00 0.00 C ATOM 0 H VAL A 26 -6.401 9.323 4.605 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.336 8.358 2.630 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.492 10.702 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.399 11.638 1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.829 10.102 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.313 10.138 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.180 12.078 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.082 10.603 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.450 10.865 4.633 1.00 0.00 H new ATOM 394 N ILE A 27 -5.256 7.671 2.441 1.00 0.00 N ATOM 395 CA ILE A 27 -4.228 7.001 1.664 1.00 0.00 C ATOM 396 C ILE A 27 -4.510 5.497 1.641 1.00 0.00 C ATOM 397 O ILE A 27 -4.807 4.934 0.590 1.00 0.00 O ATOM 398 CB ILE A 27 -2.837 7.358 2.194 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.555 8.853 2.028 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.760 6.494 1.535 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.390 9.293 2.918 1.00 0.00 C ATOM 0 H ILE A 27 -5.046 7.765 3.435 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.248 7.345 0.630 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.812 7.142 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.323 9.069 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.447 9.425 2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.782 6.768 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.956 5.443 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.774 6.654 0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.210 10.359 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.636 9.097 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.494 8.736 2.646 1.00 0.00 H new ATOM 413 N LYS A 28 -4.404 4.890 2.814 1.00 0.00 N ATOM 414 CA LYS A 28 -4.645 3.463 2.943 1.00 0.00 C ATOM 415 C LYS A 28 -5.932 3.098 2.201 1.00 0.00 C ATOM 416 O LYS A 28 -5.984 2.087 1.502 1.00 0.00 O ATOM 417 CB LYS A 28 -4.645 3.050 4.417 1.00 0.00 C ATOM 418 CG LYS A 28 -6.021 3.271 5.047 1.00 0.00 C ATOM 419 CD LYS A 28 -6.103 2.619 6.428 1.00 0.00 C ATOM 420 CE LYS A 28 -5.101 3.253 7.395 1.00 0.00 C ATOM 421 NZ LYS A 28 -5.569 4.591 7.823 1.00 0.00 N ATOM 0 H LYS A 28 -4.154 5.361 3.684 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.838 2.897 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.365 2.000 4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.896 3.626 4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.218 4.340 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.793 2.856 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.113 2.725 6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.904 1.551 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.971 2.611 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.127 3.339 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.279 4.762 8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.152 5.318 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.606 4.634 7.756 1.00 0.00 H new ATOM 435 N LYS A 29 -6.939 3.941 2.379 1.00 0.00 N ATOM 436 CA LYS A 29 -8.222 3.719 1.736 1.00 0.00 C ATOM 437 C LYS A 29 -8.064 3.880 0.222 1.00 0.00 C ATOM 438 O LYS A 29 -8.573 3.069 -0.549 1.00 0.00 O ATOM 439 CB LYS A 29 -9.290 4.632 2.342 1.00 0.00 C ATOM 440 CG LYS A 29 -9.931 3.984 3.572 1.00 0.00 C ATOM 441 CD LYS A 29 -10.423 5.046 4.557 1.00 0.00 C ATOM 442 CE LYS A 29 -11.150 6.176 3.826 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.474 5.718 3.349 1.00 0.00 N ATOM 0 H LYS A 29 -6.892 4.779 2.959 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.566 2.700 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.843 5.586 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.057 4.845 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.766 3.355 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.207 3.334 4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.093 4.589 5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.577 5.452 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.273 7.029 4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.550 6.516 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.954 6.497 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.350 4.918 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.050 5.416 4.161 1.00 0.00 H new ATOM 457 N ASP A 30 -7.354 4.933 -0.158 1.00 0.00 N ATOM 458 CA ASP A 30 -7.121 5.210 -1.565 1.00 0.00 C ATOM 459 C ASP A 30 -6.554 3.960 -2.240 1.00 0.00 C ATOM 460 O ASP A 30 -7.057 3.525 -3.275 1.00 0.00 O ATOM 461 CB ASP A 30 -6.111 6.344 -1.744 1.00 0.00 C ATOM 462 CG ASP A 30 -6.651 7.586 -2.455 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.372 7.396 -3.458 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.332 8.697 -1.979 1.00 0.00 O ATOM 0 H ASP A 30 -6.933 5.604 0.484 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.071 5.501 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.741 6.638 -0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.258 5.965 -2.306 1.00 0.00 H new ATOM 470 N PHE A 31 -5.512 3.418 -1.627 1.00 0.00 N ATOM 471 CA PHE A 31 -4.869 2.226 -2.155 1.00 0.00 C ATOM 472 C PHE A 31 -5.898 1.129 -2.441 1.00 0.00 C ATOM 473 O PHE A 31 -5.820 0.453 -3.465 1.00 0.00 O ATOM 474 CB PHE A 31 -3.897 1.729 -1.083 1.00 0.00 C ATOM 475 CG PHE A 31 -3.426 0.288 -1.290 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.297 -0.742 -1.121 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.137 0.037 -1.641 1.00 0.00 C ATOM 478 CE1 PHE A 31 -3.861 -2.080 -1.312 1.00 0.00 C ATOM 479 CE2 PHE A 31 -1.700 -1.300 -1.834 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.571 -2.330 -1.665 1.00 0.00 C ATOM 0 H PHE A 31 -5.097 3.782 -0.770 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.359 2.462 -3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.027 2.385 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.377 1.807 -0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.321 -0.543 -0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.445 0.855 -1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.553 -2.898 -1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.676 -1.499 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.239 -3.347 -1.811 1.00 0.00 H new ATOM 490 N ASP A 32 -6.837 0.988 -1.518 1.00 0.00 N ATOM 491 CA ASP A 32 -7.880 -0.014 -1.658 1.00 0.00 C ATOM 492 C ASP A 32 -8.717 0.297 -2.899 1.00 0.00 C ATOM 493 O ASP A 32 -9.175 -0.613 -3.588 1.00 0.00 O ATOM 494 CB ASP A 32 -8.812 -0.012 -0.445 1.00 0.00 C ATOM 495 CG ASP A 32 -9.998 -0.975 -0.538 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.734 -2.179 -0.743 1.00 0.00 O ATOM 497 OD2 ASP A 32 -11.139 -0.485 -0.404 1.00 0.00 O ATOM 0 H ASP A 32 -6.898 1.551 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.401 -0.990 -1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.230 -0.261 0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.194 0.999 -0.301 1.00 0.00 H new ATOM 503 N ALA A 33 -8.892 1.587 -3.147 1.00 0.00 N ATOM 504 CA ALA A 33 -9.667 2.030 -4.294 1.00 0.00 C ATOM 505 C ALA A 33 -9.098 1.396 -5.565 1.00 0.00 C ATOM 506 O ALA A 33 -9.710 0.500 -6.144 1.00 0.00 O ATOM 507 CB ALA A 33 -9.663 3.559 -4.353 1.00 0.00 C ATOM 0 H ALA A 33 -8.511 2.339 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.705 1.710 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.244 3.891 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.104 3.959 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.638 3.917 -4.448 1.00 0.00 H new ATOM 513 N GLU A 34 -7.931 1.885 -5.960 1.00 0.00 N ATOM 514 CA GLU A 34 -7.272 1.377 -7.152 1.00 0.00 C ATOM 515 C GLU A 34 -7.016 -0.126 -7.017 1.00 0.00 C ATOM 516 O GLU A 34 -7.370 -0.900 -7.904 1.00 0.00 O ATOM 517 CB GLU A 34 -5.970 2.133 -7.421 1.00 0.00 C ATOM 518 CG GLU A 34 -5.171 1.466 -8.543 1.00 0.00 C ATOM 519 CD GLU A 34 -6.041 1.248 -9.782 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.142 2.205 -10.580 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.587 0.130 -9.903 1.00 0.00 O ATOM 0 H GLU A 34 -7.425 2.627 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.931 1.538 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.194 3.165 -7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.370 2.166 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.313 2.087 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.780 0.510 -8.196 1.00 0.00 H new ATOM 529 N CYS A 35 -6.404 -0.492 -5.901 1.00 0.00 N ATOM 530 CA CYS A 35 -6.096 -1.888 -5.639 1.00 0.00 C ATOM 531 C CYS A 35 -7.276 -2.737 -6.117 1.00 0.00 C ATOM 532 O CYS A 35 -7.116 -3.597 -6.982 1.00 0.00 O ATOM 533 CB CYS A 35 -5.781 -2.129 -4.161 1.00 0.00 C ATOM 534 SG CYS A 35 -5.386 -3.864 -3.735 1.00 0.00 S ATOM 0 H CYS A 35 -6.113 0.154 -5.167 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.198 -2.175 -6.186 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.939 -1.499 -3.876 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.635 -1.808 -3.565 1.00 0.00 H new ATOM 539 N LYS A 36 -8.435 -2.466 -5.533 1.00 0.00 N ATOM 540 CA LYS A 36 -9.640 -3.195 -5.888 1.00 0.00 C ATOM 541 C LYS A 36 -9.673 -3.409 -7.403 1.00 0.00 C ATOM 542 O LYS A 36 -9.752 -4.544 -7.871 1.00 0.00 O ATOM 543 CB LYS A 36 -10.878 -2.482 -5.341 1.00 0.00 C ATOM 544 CG LYS A 36 -11.212 -2.968 -3.929 1.00 0.00 C ATOM 545 CD LYS A 36 -12.139 -4.185 -3.974 1.00 0.00 C ATOM 546 CE LYS A 36 -13.595 -3.759 -4.169 1.00 0.00 C ATOM 547 NZ LYS A 36 -14.119 -3.128 -2.937 1.00 0.00 N ATOM 0 H LYS A 36 -8.564 -1.752 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.639 -4.182 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.706 -1.406 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.727 -2.661 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.293 -3.225 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.688 -2.164 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.838 -4.846 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.044 -4.754 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.667 -3.060 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.203 -4.626 -4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.158 -3.168 -2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.757 -3.637 -2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.811 -2.136 -2.897 1.00 0.00 H new ATOM 561 N LYS A 37 -9.611 -2.301 -8.127 1.00 0.00 N ATOM 562 CA LYS A 37 -9.633 -2.354 -9.579 1.00 0.00 C ATOM 563 C LYS A 37 -8.333 -2.983 -10.082 1.00 0.00 C ATOM 564 O LYS A 37 -8.344 -4.081 -10.636 1.00 0.00 O ATOM 565 CB LYS A 37 -9.910 -0.966 -10.161 1.00 0.00 C ATOM 566 CG LYS A 37 -11.302 -0.472 -9.762 1.00 0.00 C ATOM 567 CD LYS A 37 -11.236 0.397 -8.506 1.00 0.00 C ATOM 568 CE LYS A 37 -12.461 1.309 -8.405 1.00 0.00 C ATOM 569 NZ LYS A 37 -13.623 0.558 -7.880 1.00 0.00 N ATOM 0 H LYS A 37 -9.546 -1.361 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.449 -2.989 -9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.156 -0.263 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.830 -1.001 -11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.738 0.100 -10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.957 -1.325 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.178 -0.239 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.329 1.001 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.241 2.153 -7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.699 1.719 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.446 1.191 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.842 -0.233 -8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.399 0.188 -6.934 1.00 0.00 H new ATOM 583 N LEU A 38 -7.242 -2.261 -9.870 1.00 0.00 N ATOM 584 CA LEU A 38 -5.936 -2.735 -10.295 1.00 0.00 C ATOM 585 C LEU A 38 -5.864 -4.252 -10.109 1.00 0.00 C ATOM 586 O LEU A 38 -5.231 -4.948 -10.901 1.00 0.00 O ATOM 587 CB LEU A 38 -4.826 -1.973 -9.567 1.00 0.00 C ATOM 588 CG LEU A 38 -3.503 -2.720 -9.394 1.00 0.00 C ATOM 589 CD1 LEU A 38 -2.939 -3.158 -10.747 1.00 0.00 C ATOM 590 CD2 LEU A 38 -2.500 -1.880 -8.600 1.00 0.00 C ATOM 0 H LEU A 38 -7.236 -1.351 -9.409 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.785 -2.535 -11.356 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.630 -1.049 -10.111 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.193 -1.691 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.694 -3.625 -8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.998 -3.687 -10.595 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.651 -3.819 -11.241 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.766 -2.281 -11.370 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.567 -2.434 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.308 -0.946 -9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.909 -1.661 -7.614 1.00 0.00 H new ATOM 602 N PHE A 39 -6.521 -4.719 -9.058 1.00 0.00 N ATOM 603 CA PHE A 39 -6.539 -6.142 -8.759 1.00 0.00 C ATOM 604 C PHE A 39 -7.974 -6.655 -8.622 1.00 0.00 C ATOM 605 O PHE A 39 -8.306 -7.330 -7.649 1.00 0.00 O ATOM 606 CB PHE A 39 -5.815 -6.327 -7.424 1.00 0.00 C ATOM 607 CG PHE A 39 -4.464 -5.614 -7.345 1.00 0.00 C ATOM 608 CD1 PHE A 39 -3.379 -6.143 -7.971 1.00 0.00 C ATOM 609 CD2 PHE A 39 -4.347 -4.451 -6.648 1.00 0.00 C ATOM 610 CE1 PHE A 39 -2.124 -5.481 -7.898 1.00 0.00 C ATOM 611 CE2 PHE A 39 -3.094 -3.790 -6.575 1.00 0.00 C ATOM 612 CZ PHE A 39 -2.008 -4.319 -7.201 1.00 0.00 C ATOM 0 H PHE A 39 -7.045 -4.138 -8.403 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.058 -6.698 -9.564 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.455 -5.961 -6.621 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.663 -7.392 -7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.471 -7.066 -8.524 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.209 -4.031 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.262 -5.900 -8.396 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.002 -2.867 -6.022 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.054 -3.816 -7.144 1.00 0.00 H new ATOM 622 N HIS A 40 -8.787 -6.314 -9.611 1.00 0.00 N ATOM 623 CA HIS A 40 -10.179 -6.731 -9.614 1.00 0.00 C ATOM 624 C HIS A 40 -10.279 -8.179 -10.098 1.00 0.00 C ATOM 625 O HIS A 40 -11.107 -8.945 -9.608 1.00 0.00 O ATOM 626 CB HIS A 40 -11.033 -5.769 -10.442 1.00 0.00 C ATOM 627 CG HIS A 40 -11.411 -6.301 -11.805 1.00 0.00 C ATOM 628 ND1 HIS A 40 -12.220 -7.409 -11.978 1.00 0.00 N ATOM 629 CD2 HIS A 40 -11.082 -5.863 -13.054 1.00 0.00 C ATOM 630 CE1 HIS A 40 -12.365 -7.621 -13.279 1.00 0.00 C ATOM 631 NE2 HIS A 40 -11.658 -6.662 -13.943 1.00 0.00 N ATOM 0 H HIS A 40 -8.508 -5.753 -10.416 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.576 -6.695 -8.599 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.943 -5.538 -9.888 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.490 -4.832 -10.567 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -12.634 -7.968 -11.232 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.459 -5.011 -13.281 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.941 -8.414 -13.733 1.00 0.00 H new ATOM 640 N THR A 41 -9.423 -8.511 -11.053 1.00 0.00 N ATOM 641 CA THR A 41 -9.405 -9.854 -11.608 1.00 0.00 C ATOM 642 C THR A 41 -8.686 -10.814 -10.659 1.00 0.00 C ATOM 643 O THR A 41 -8.865 -12.028 -10.743 1.00 0.00 O ATOM 644 CB THR A 41 -8.767 -9.782 -12.997 1.00 0.00 C ATOM 645 OG1 THR A 41 -7.549 -9.074 -12.784 1.00 0.00 O ATOM 646 CG2 THR A 41 -9.555 -8.889 -13.958 1.00 0.00 C ATOM 0 H THR A 41 -8.737 -7.873 -11.457 1.00 0.00 H new ATOM 0 HA THR A 41 -10.414 -10.250 -11.717 1.00 0.00 H new ATOM 0 HB THR A 41 -8.692 -10.786 -13.414 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.070 -8.984 -13.634 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.059 -8.873 -14.929 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.566 -9.281 -14.073 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.602 -7.876 -13.558 1.00 0.00 H new ATOM 654 N ILE A 42 -7.887 -10.234 -9.774 1.00 0.00 N ATOM 655 CA ILE A 42 -7.141 -11.023 -8.809 1.00 0.00 C ATOM 656 C ILE A 42 -8.119 -11.768 -7.901 1.00 0.00 C ATOM 657 O ILE A 42 -9.160 -11.229 -7.527 1.00 0.00 O ATOM 658 CB ILE A 42 -6.147 -10.141 -8.051 1.00 0.00 C ATOM 659 CG1 ILE A 42 -5.177 -9.455 -9.014 1.00 0.00 C ATOM 660 CG2 ILE A 42 -5.413 -10.943 -6.973 1.00 0.00 C ATOM 661 CD1 ILE A 42 -4.090 -10.424 -9.483 1.00 0.00 C ATOM 0 H ILE A 42 -7.741 -9.227 -9.706 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.540 -11.777 -9.316 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.706 -9.355 -7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.724 -9.073 -9.876 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.717 -8.598 -8.523 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.713 -10.293 -6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.136 -11.345 -6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.867 -11.764 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.414 -9.910 -10.167 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.529 -10.786 -8.622 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.551 -11.268 -9.996 1.00 0.00 H new ATOM 673 N PRO A 43 -7.742 -13.030 -7.561 1.00 0.00 N ATOM 674 CA PRO A 43 -8.574 -13.855 -6.703 1.00 0.00 C ATOM 675 C PRO A 43 -8.481 -13.399 -5.246 1.00 0.00 C ATOM 676 O PRO A 43 -9.494 -13.313 -4.553 1.00 0.00 O ATOM 677 CB PRO A 43 -8.071 -15.274 -6.914 1.00 0.00 C ATOM 678 CG PRO A 43 -6.685 -15.140 -7.520 1.00 0.00 C ATOM 679 CD PRO A 43 -6.516 -13.702 -7.985 1.00 0.00 C ATOM 0 HA PRO A 43 -9.634 -13.781 -6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.034 -15.819 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.735 -15.829 -7.577 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.921 -15.396 -6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.566 -15.828 -8.357 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.636 -13.241 -7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.388 -13.648 -9.066 1.00 0.00 H new ATOM 687 N PHE A 44 -7.257 -13.118 -4.824 1.00 0.00 N ATOM 688 CA PHE A 44 -7.019 -12.672 -3.461 1.00 0.00 C ATOM 689 C PHE A 44 -6.538 -11.220 -3.436 1.00 0.00 C ATOM 690 O PHE A 44 -5.888 -10.794 -2.482 1.00 0.00 O ATOM 691 CB PHE A 44 -5.924 -13.570 -2.883 1.00 0.00 C ATOM 692 CG PHE A 44 -4.829 -13.942 -3.884 1.00 0.00 C ATOM 693 CD1 PHE A 44 -3.754 -13.126 -4.051 1.00 0.00 C ATOM 694 CD2 PHE A 44 -4.932 -15.089 -4.609 1.00 0.00 C ATOM 695 CE1 PHE A 44 -2.739 -13.471 -4.981 1.00 0.00 C ATOM 696 CE2 PHE A 44 -3.916 -15.434 -5.538 1.00 0.00 C ATOM 697 CZ PHE A 44 -2.840 -14.618 -5.705 1.00 0.00 C ATOM 0 H PHE A 44 -6.419 -13.190 -5.402 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.941 -12.731 -2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.467 -13.066 -2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.381 -14.484 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.673 -12.215 -3.476 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.786 -15.736 -4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.886 -12.822 -5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.997 -16.345 -6.113 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.067 -14.881 -6.412 1.00 0.00 H new ATOM 707 N GLY A 45 -6.875 -10.500 -4.496 1.00 0.00 N ATOM 708 CA GLY A 45 -6.485 -9.104 -4.607 1.00 0.00 C ATOM 709 C GLY A 45 -7.306 -8.228 -3.658 1.00 0.00 C ATOM 710 O GLY A 45 -6.796 -7.760 -2.642 1.00 0.00 O ATOM 0 H GLY A 45 -7.414 -10.857 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.424 -9.000 -4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.624 -8.764 -5.633 1.00 0.00 H new ATOM 714 N THR A 46 -8.565 -8.034 -4.024 1.00 0.00 N ATOM 715 CA THR A 46 -9.461 -7.223 -3.219 1.00 0.00 C ATOM 716 C THR A 46 -9.326 -7.588 -1.739 1.00 0.00 C ATOM 717 O THR A 46 -9.404 -6.719 -0.872 1.00 0.00 O ATOM 718 CB THR A 46 -10.880 -7.404 -3.762 1.00 0.00 C ATOM 719 OG1 THR A 46 -11.162 -8.785 -3.543 1.00 0.00 O ATOM 720 CG2 THR A 46 -10.949 -7.247 -5.282 1.00 0.00 C ATOM 0 H THR A 46 -8.985 -8.425 -4.867 1.00 0.00 H new ATOM 0 HA THR A 46 -9.204 -6.166 -3.286 1.00 0.00 H new ATOM 0 HB THR A 46 -11.544 -6.679 -3.291 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.065 -8.990 -3.865 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.977 -7.385 -5.616 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.608 -6.250 -5.561 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.311 -7.994 -5.754 1.00 0.00 H new ATOM 728 N ARG A 47 -9.126 -8.875 -1.496 1.00 0.00 N ATOM 729 CA ARG A 47 -8.980 -9.365 -0.135 1.00 0.00 C ATOM 730 C ARG A 47 -7.729 -8.767 0.512 1.00 0.00 C ATOM 731 O ARG A 47 -7.793 -8.236 1.620 1.00 0.00 O ATOM 732 CB ARG A 47 -8.879 -10.891 -0.109 1.00 0.00 C ATOM 733 CG ARG A 47 -8.522 -11.393 1.292 1.00 0.00 C ATOM 734 CD ARG A 47 -7.282 -12.287 1.256 1.00 0.00 C ATOM 735 NE ARG A 47 -7.257 -13.167 2.445 1.00 0.00 N ATOM 736 CZ ARG A 47 -6.346 -14.129 2.649 1.00 0.00 C ATOM 737 NH1 ARG A 47 -5.380 -14.340 1.744 1.00 0.00 N ATOM 738 NH2 ARG A 47 -6.401 -14.880 3.758 1.00 0.00 N ATOM 0 H ARG A 47 -9.062 -9.593 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.864 -9.060 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.827 -11.327 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.123 -11.221 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.343 -10.544 1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.363 -11.948 1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.284 -12.889 0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.382 -11.673 1.229 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.978 -13.033 3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.338 -13.769 0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.687 -15.072 1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.136 -14.719 4.447 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.708 -15.612 3.913 1.00 0.00 H new ATOM 752 N GLU A 48 -6.621 -8.872 -0.207 1.00 0.00 N ATOM 753 CA GLU A 48 -5.357 -8.348 0.285 1.00 0.00 C ATOM 754 C GLU A 48 -5.412 -6.821 0.364 1.00 0.00 C ATOM 755 O GLU A 48 -4.609 -6.204 1.061 1.00 0.00 O ATOM 756 CB GLU A 48 -4.194 -8.812 -0.593 1.00 0.00 C ATOM 757 CG GLU A 48 -3.210 -9.667 0.207 1.00 0.00 C ATOM 758 CD GLU A 48 -2.885 -9.014 1.553 1.00 0.00 C ATOM 759 OE1 GLU A 48 -2.123 -8.023 1.533 1.00 0.00 O ATOM 760 OE2 GLU A 48 -3.405 -9.521 2.570 1.00 0.00 O ATOM 0 H GLU A 48 -6.572 -9.312 -1.126 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.188 -8.738 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.577 -9.386 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.677 -7.946 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.634 -10.657 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.293 -9.804 -0.366 1.00 0.00 H new ATOM 768 N CYS A 49 -6.365 -6.256 -0.362 1.00 0.00 N ATOM 769 CA CYS A 49 -6.534 -4.814 -0.384 1.00 0.00 C ATOM 770 C CYS A 49 -6.993 -4.363 1.004 1.00 0.00 C ATOM 771 O CYS A 49 -6.522 -3.350 1.519 1.00 0.00 O ATOM 772 CB CYS A 49 -7.509 -4.373 -1.478 1.00 0.00 C ATOM 773 SG CYS A 49 -7.015 -4.837 -3.178 1.00 0.00 S ATOM 0 H CYS A 49 -7.029 -6.772 -0.940 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.583 -4.339 -0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.488 -4.805 -1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.621 -3.290 -1.430 1.00 0.00 H new ATOM 778 N ASP A 50 -7.906 -5.137 1.571 1.00 0.00 N ATOM 779 CA ASP A 50 -8.433 -4.831 2.889 1.00 0.00 C ATOM 780 C ASP A 50 -7.632 -5.594 3.945 1.00 0.00 C ATOM 781 O ASP A 50 -7.915 -5.494 5.139 1.00 0.00 O ATOM 782 CB ASP A 50 -9.898 -5.256 3.009 1.00 0.00 C ATOM 783 CG ASP A 50 -10.861 -4.147 3.438 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.353 -3.065 3.805 1.00 0.00 O ATOM 785 OD2 ASP A 50 -12.082 -4.406 3.390 1.00 0.00 O ATOM 0 H ASP A 50 -8.294 -5.976 1.141 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.356 -3.754 3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.226 -5.649 2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.966 -6.073 3.727 1.00 0.00 H new ATOM 791 N HIS A 51 -6.646 -6.340 3.469 1.00 0.00 N ATOM 792 CA HIS A 51 -5.800 -7.121 4.356 1.00 0.00 C ATOM 793 C HIS A 51 -4.368 -6.586 4.302 1.00 0.00 C ATOM 794 O HIS A 51 -3.452 -7.198 4.849 1.00 0.00 O ATOM 795 CB HIS A 51 -5.890 -8.611 4.021 1.00 0.00 C ATOM 796 CG HIS A 51 -6.855 -9.379 4.893 1.00 0.00 C ATOM 797 ND1 HIS A 51 -6.451 -10.387 5.751 1.00 0.00 N ATOM 798 CD2 HIS A 51 -8.208 -9.276 5.031 1.00 0.00 C ATOM 799 CE1 HIS A 51 -7.520 -10.863 6.372 1.00 0.00 C ATOM 800 NE2 HIS A 51 -8.609 -10.173 5.923 1.00 0.00 N ATOM 0 H HIS A 51 -6.414 -6.420 2.479 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.151 -7.018 5.383 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.191 -8.721 2.979 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.899 -9.055 4.115 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.845 -8.582 4.503 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.528 -11.657 7.104 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.572 -10.322 6.224 1.00 0.00 H new ATOM 809 N TYR A 52 -4.219 -5.449 3.638 1.00 0.00 N ATOM 810 CA TYR A 52 -2.914 -4.826 3.505 1.00 0.00 C ATOM 811 C TYR A 52 -2.928 -3.401 4.063 1.00 0.00 C ATOM 812 O TYR A 52 -2.052 -3.025 4.841 1.00 0.00 O ATOM 813 CB TYR A 52 -2.623 -4.770 2.005 1.00 0.00 C ATOM 814 CG TYR A 52 -1.320 -4.052 1.650 1.00 0.00 C ATOM 815 CD1 TYR A 52 -0.109 -4.582 2.046 1.00 0.00 C ATOM 816 CD2 TYR A 52 -1.356 -2.873 0.931 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.118 -3.906 1.711 1.00 0.00 C ATOM 818 CE2 TYR A 52 -0.128 -2.197 0.597 1.00 0.00 C ATOM 819 CZ TYR A 52 1.047 -2.746 1.003 1.00 0.00 C ATOM 820 OH TYR A 52 2.206 -2.108 0.687 1.00 0.00 O ATOM 0 H TYR A 52 -4.981 -4.943 3.186 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.162 -5.391 4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.583 -5.787 1.615 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.451 -4.268 1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.081 -5.504 2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.303 -2.458 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.072 -4.310 2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.141 -1.274 0.036 1.00 0.00 H new ATOM 0 HH TYR A 52 2.831 -2.746 0.284 1.00 0.00 H new ATOM 830 N VAL A 53 -3.932 -2.645 3.644 1.00 0.00 N ATOM 831 CA VAL A 53 -4.073 -1.270 4.092 1.00 0.00 C ATOM 832 C VAL A 53 -4.567 -1.257 5.539 1.00 0.00 C ATOM 833 O VAL A 53 -5.589 -0.645 5.845 1.00 0.00 O ATOM 834 CB VAL A 53 -4.991 -0.500 3.140 1.00 0.00 C ATOM 835 CG1 VAL A 53 -4.639 -0.795 1.680 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.462 -0.816 3.423 1.00 0.00 C ATOM 0 H VAL A 53 -4.656 -2.959 2.998 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.109 -0.762 4.073 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.836 0.565 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.306 -0.235 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.608 -0.498 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.752 -1.862 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.094 -0.256 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.637 -1.884 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.704 -0.533 4.447 1.00 0.00 H new ATOM 846 N ASN A 54 -3.817 -1.939 6.393 1.00 0.00 N ATOM 847 CA ASN A 54 -4.165 -2.014 7.801 1.00 0.00 C ATOM 848 C ASN A 54 -3.153 -2.903 8.526 1.00 0.00 C ATOM 849 O ASN A 54 -3.520 -3.672 9.414 1.00 0.00 O ATOM 850 CB ASN A 54 -5.555 -2.626 7.993 1.00 0.00 C ATOM 851 CG ASN A 54 -6.093 -2.337 9.396 1.00 0.00 C ATOM 852 OD1 ASN A 54 -5.961 -3.128 10.315 1.00 0.00 O ATOM 853 ND2 ASN A 54 -6.705 -1.162 9.508 1.00 0.00 N ATOM 0 H ASN A 54 -2.969 -2.445 6.136 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.158 -1.001 8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.240 -2.223 7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.507 -3.703 7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.099 -0.875 10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.781 -0.547 8.698 1.00 0.00 H new ATOM 860 N SER A 55 -1.899 -2.769 8.122 1.00 0.00 N ATOM 861 CA SER A 55 -0.831 -3.550 8.721 1.00 0.00 C ATOM 862 C SER A 55 0.484 -3.292 7.983 1.00 0.00 C ATOM 863 O SER A 55 1.552 -3.285 8.594 1.00 0.00 O ATOM 864 CB SER A 55 -1.165 -5.044 8.705 1.00 0.00 C ATOM 865 OG SER A 55 -1.746 -5.474 9.932 1.00 0.00 O ATOM 0 H SER A 55 -1.598 -2.130 7.386 1.00 0.00 H new ATOM 0 HA SER A 55 -0.723 -3.241 9.761 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.853 -5.253 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.257 -5.616 8.513 1.00 0.00 H new ATOM 0 HG SER A 55 -2.469 -4.862 10.184 1.00 0.00 H new ATOM 871 N LYS A 56 0.364 -3.086 6.680 1.00 0.00 N ATOM 872 CA LYS A 56 1.531 -2.829 5.852 1.00 0.00 C ATOM 873 C LYS A 56 1.500 -1.376 5.375 1.00 0.00 C ATOM 874 O LYS A 56 2.415 -0.926 4.687 1.00 0.00 O ATOM 875 CB LYS A 56 1.617 -3.849 4.715 1.00 0.00 C ATOM 876 CG LYS A 56 1.537 -5.279 5.254 1.00 0.00 C ATOM 877 CD LYS A 56 2.928 -5.911 5.338 1.00 0.00 C ATOM 878 CE LYS A 56 3.118 -6.644 6.667 1.00 0.00 C ATOM 879 NZ LYS A 56 2.589 -8.023 6.579 1.00 0.00 N ATOM 0 H LYS A 56 -0.523 -3.092 6.177 1.00 0.00 H new ATOM 0 HA LYS A 56 2.446 -2.956 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.807 -3.678 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.551 -3.714 4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.075 -5.274 6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.899 -5.880 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.065 -6.608 4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.689 -5.138 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.176 -6.670 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.608 -6.103 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.726 -8.506 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.574 -7.992 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.094 -8.542 5.832 1.00 0.00 H new ATOM 893 N VAL A 57 0.439 -0.682 5.759 1.00 0.00 N ATOM 894 CA VAL A 57 0.278 0.711 5.378 1.00 0.00 C ATOM 895 C VAL A 57 0.756 1.606 6.523 1.00 0.00 C ATOM 896 O VAL A 57 1.358 2.653 6.287 1.00 0.00 O ATOM 897 CB VAL A 57 -1.174 0.979 4.977 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.592 2.403 5.348 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.388 0.716 3.485 1.00 0.00 C ATOM 0 H VAL A 57 -0.318 -1.058 6.330 1.00 0.00 H new ATOM 0 HA VAL A 57 0.890 0.942 4.506 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.808 0.289 5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.628 2.567 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.496 2.541 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.950 3.117 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.428 0.914 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.739 1.370 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.150 -0.324 3.261 1.00 0.00 H new ATOM 909 N ASP A 58 0.471 1.163 7.738 1.00 0.00 N ATOM 910 CA ASP A 58 0.866 1.911 8.919 1.00 0.00 C ATOM 911 C ASP A 58 2.390 2.034 8.955 1.00 0.00 C ATOM 912 O ASP A 58 2.923 3.094 9.281 1.00 0.00 O ATOM 913 CB ASP A 58 0.419 1.198 10.198 1.00 0.00 C ATOM 914 CG ASP A 58 -0.700 1.897 10.971 1.00 0.00 C ATOM 915 OD1 ASP A 58 -0.880 3.111 10.736 1.00 0.00 O ATOM 916 OD2 ASP A 58 -1.353 1.201 11.780 1.00 0.00 O ATOM 0 H ASP A 58 -0.029 0.295 7.930 1.00 0.00 H new ATOM 0 HA ASP A 58 0.394 2.892 8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.087 0.193 9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.281 1.089 10.856 1.00 0.00 H new ATOM 922 N PRO A 59 3.065 0.907 8.606 1.00 0.00 N ATOM 923 CA PRO A 59 4.519 0.878 8.595 1.00 0.00 C ATOM 924 C PRO A 59 5.072 1.627 7.382 1.00 0.00 C ATOM 925 O PRO A 59 5.901 2.525 7.527 1.00 0.00 O ATOM 926 CB PRO A 59 4.883 -0.597 8.599 1.00 0.00 C ATOM 927 CG PRO A 59 3.636 -1.337 8.144 1.00 0.00 C ATOM 928 CD PRO A 59 2.467 -0.367 8.214 1.00 0.00 C ATOM 0 HA PRO A 59 4.957 1.385 9.455 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.720 -0.794 7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.188 -0.921 9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.763 -1.710 7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.452 -2.203 8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.960 -0.287 7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.723 -0.695 8.940 1.00 0.00 H new ATOM 936 N ILE A 60 4.592 1.231 6.212 1.00 0.00 N ATOM 937 CA ILE A 60 5.029 1.854 4.974 1.00 0.00 C ATOM 938 C ILE A 60 5.043 3.374 5.150 1.00 0.00 C ATOM 939 O ILE A 60 6.075 4.014 4.953 1.00 0.00 O ATOM 940 CB ILE A 60 4.167 1.378 3.802 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.639 0.014 3.292 1.00 0.00 C ATOM 942 CG2 ILE A 60 4.131 2.426 2.688 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.839 -0.417 2.062 1.00 0.00 C ATOM 0 H ILE A 60 3.905 0.486 6.095 1.00 0.00 H new ATOM 0 HA ILE A 60 6.048 1.552 4.734 1.00 0.00 H new ATOM 0 HB ILE A 60 3.145 1.251 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.699 0.062 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.530 -0.731 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.512 2.063 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.712 3.355 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.143 2.608 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.194 -1.389 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.783 -0.487 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.970 0.318 1.267 1.00 0.00 H new ATOM 955 N ILE A 61 3.888 3.905 5.518 1.00 0.00 N ATOM 956 CA ILE A 61 3.754 5.338 5.723 1.00 0.00 C ATOM 957 C ILE A 61 4.725 5.785 6.817 1.00 0.00 C ATOM 958 O ILE A 61 5.106 6.953 6.876 1.00 0.00 O ATOM 959 CB ILE A 61 2.297 5.705 6.008 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.375 5.189 4.900 1.00 0.00 C ATOM 961 CG2 ILE A 61 2.144 7.212 6.225 1.00 0.00 C ATOM 962 CD1 ILE A 61 -0.041 5.743 5.064 1.00 0.00 C ATOM 0 H ILE A 61 3.035 3.369 5.680 1.00 0.00 H new ATOM 0 HA ILE A 61 4.023 5.879 4.816 1.00 0.00 H new ATOM 0 HB ILE A 61 1.995 5.214 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.772 5.478 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.348 4.100 4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.099 7.446 6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.755 7.521 7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.470 7.743 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.676 5.361 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.444 5.432 6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.013 6.832 5.017 1.00 0.00 H new ATOM 974 N HIS A 62 5.100 4.831 7.657 1.00 0.00 N ATOM 975 CA HIS A 62 6.020 5.111 8.746 1.00 0.00 C ATOM 976 C HIS A 62 7.396 5.464 8.178 1.00 0.00 C ATOM 977 O HIS A 62 8.198 6.118 8.844 1.00 0.00 O ATOM 978 CB HIS A 62 6.067 3.943 9.732 1.00 0.00 C ATOM 979 CG HIS A 62 7.320 3.107 9.634 1.00 0.00 C ATOM 980 ND1 HIS A 62 8.096 2.786 8.560 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.901 2.495 10.732 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 9.098 2.021 8.977 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 8.978 1.839 10.323 1.00 0.00 N flip ATOM 0 H HIS A 62 4.783 3.863 7.605 1.00 0.00 H new ATOM 0 HA HIS A 62 5.667 5.973 9.312 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.981 4.333 10.746 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.201 3.303 9.563 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.539 2.544 11.748 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.879 1.611 8.353 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.607 1.293 10.912 1.00 0.00 H new ATOM 992 N GLU A 63 7.628 5.013 6.954 1.00 0.00 N ATOM 993 CA GLU A 63 8.893 5.273 6.288 1.00 0.00 C ATOM 994 C GLU A 63 8.847 6.621 5.567 1.00 0.00 C ATOM 995 O GLU A 63 9.739 7.451 5.738 1.00 0.00 O ATOM 996 CB GLU A 63 9.243 4.143 5.316 1.00 0.00 C ATOM 997 CG GLU A 63 10.196 3.137 5.966 1.00 0.00 C ATOM 998 CD GLU A 63 11.585 3.749 6.166 1.00 0.00 C ATOM 999 OE1 GLU A 63 11.681 4.676 7.000 1.00 0.00 O ATOM 1000 OE2 GLU A 63 12.518 3.275 5.482 1.00 0.00 O ATOM 0 H GLU A 63 6.961 4.469 6.406 1.00 0.00 H new ATOM 0 HA GLU A 63 9.677 5.315 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.332 3.635 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.703 4.559 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.793 2.818 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.273 2.247 5.341 1.00 0.00 H new ATOM 1008 N LEU A 64 7.799 6.798 4.776 1.00 0.00 N ATOM 1009 CA LEU A 64 7.626 8.033 4.030 1.00 0.00 C ATOM 1010 C LEU A 64 7.576 9.211 5.004 1.00 0.00 C ATOM 1011 O LEU A 64 8.105 10.283 4.714 1.00 0.00 O ATOM 1012 CB LEU A 64 6.402 7.937 3.115 1.00 0.00 C ATOM 1013 CG LEU A 64 6.320 6.690 2.232 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.946 6.580 1.568 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.456 6.666 1.209 1.00 0.00 C ATOM 0 H LEU A 64 7.062 6.107 4.635 1.00 0.00 H new ATOM 0 HA LEU A 64 8.477 8.203 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.506 7.979 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.385 8.816 2.471 1.00 0.00 H new ATOM 0 HG LEU A 64 6.442 5.812 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.913 5.686 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.175 6.516 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.770 7.459 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.374 5.769 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.391 7.549 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.414 6.663 1.729 1.00 0.00 H new ATOM 1027 N GLU A 65 6.934 8.972 6.138 1.00 0.00 N ATOM 1028 CA GLU A 65 6.808 10.001 7.157 1.00 0.00 C ATOM 1029 C GLU A 65 8.153 10.231 7.848 1.00 0.00 C ATOM 1030 O GLU A 65 8.476 11.356 8.226 1.00 0.00 O ATOM 1031 CB GLU A 65 5.724 9.636 8.174 1.00 0.00 C ATOM 1032 CG GLU A 65 6.282 8.720 9.264 1.00 0.00 C ATOM 1033 CD GLU A 65 7.007 9.529 10.342 1.00 0.00 C ATOM 1034 OE1 GLU A 65 6.432 10.555 10.764 1.00 0.00 O ATOM 1035 OE2 GLU A 65 8.120 9.103 10.719 1.00 0.00 O ATOM 0 H GLU A 65 6.496 8.082 6.374 1.00 0.00 H new ATOM 0 HA GLU A 65 6.507 10.930 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.324 10.544 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.896 9.141 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.470 8.150 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.969 7.999 8.821 1.00 0.00 H new ATOM 1043 N GLY A 66 8.901 9.148 7.993 1.00 0.00 N ATOM 1044 CA GLY A 66 10.204 9.218 8.632 1.00 0.00 C ATOM 1045 C GLY A 66 11.202 9.983 7.761 1.00 0.00 C ATOM 1046 O GLY A 66 11.955 10.817 8.260 1.00 0.00 O ATOM 0 H GLY A 66 8.630 8.216 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.112 9.708 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.576 8.211 8.818 1.00 0.00 H new ATOM 1050 N GLY A 67 11.174 9.672 6.473 1.00 0.00 N ATOM 1051 CA GLY A 67 12.066 10.321 5.527 1.00 0.00 C ATOM 1052 C GLY A 67 12.446 9.370 4.391 1.00 0.00 C ATOM 1053 O GLY A 67 12.925 9.807 3.345 1.00 0.00 O ATOM 0 H GLY A 67 10.548 8.979 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.584 11.209 5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.966 10.656 6.042 1.00 0.00 H new ATOM 1057 N THR A 68 12.219 8.087 4.634 1.00 0.00 N ATOM 1058 CA THR A 68 12.531 7.070 3.644 1.00 0.00 C ATOM 1059 C THR A 68 11.769 7.340 2.345 1.00 0.00 C ATOM 1060 O THR A 68 10.692 7.935 2.363 1.00 0.00 O ATOM 1061 CB THR A 68 12.222 5.704 4.258 1.00 0.00 C ATOM 1062 OG1 THR A 68 13.328 5.452 5.120 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.287 4.573 3.229 1.00 0.00 C ATOM 0 H THR A 68 11.822 7.729 5.503 1.00 0.00 H new ATOM 0 HA THR A 68 13.587 7.090 3.374 1.00 0.00 H new ATOM 0 HB THR A 68 11.232 5.726 4.713 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.548 4.497 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.060 3.625 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.560 4.758 2.438 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.288 4.529 2.799 1.00 0.00 H new ATOM 1071 N ALA A 69 12.357 6.889 1.247 1.00 0.00 N ATOM 1072 CA ALA A 69 11.748 7.073 -0.059 1.00 0.00 C ATOM 1073 C ALA A 69 10.772 5.926 -0.329 1.00 0.00 C ATOM 1074 O ALA A 69 10.812 4.901 0.350 1.00 0.00 O ATOM 1075 CB ALA A 69 12.842 7.171 -1.124 1.00 0.00 C ATOM 0 H ALA A 69 13.250 6.396 1.235 1.00 0.00 H new ATOM 0 HA ALA A 69 11.180 8.003 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.385 7.309 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.490 8.019 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.432 6.255 -1.125 1.00 0.00 H new ATOM 1081 N PRO A 70 9.898 6.142 -1.347 1.00 0.00 N ATOM 1082 CA PRO A 70 8.913 5.138 -1.714 1.00 0.00 C ATOM 1083 C PRO A 70 9.567 3.983 -2.475 1.00 0.00 C ATOM 1084 O PRO A 70 8.904 3.004 -2.812 1.00 0.00 O ATOM 1085 CB PRO A 70 7.879 5.886 -2.541 1.00 0.00 C ATOM 1086 CG PRO A 70 8.556 7.169 -2.995 1.00 0.00 C ATOM 1087 CD PRO A 70 9.822 7.345 -2.172 1.00 0.00 C ATOM 0 HA PRO A 70 8.446 4.668 -0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.558 5.291 -3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.989 6.102 -1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.795 7.119 -4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.890 8.021 -2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.699 7.443 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.773 8.244 -1.558 1.00 0.00 H new ATOM 1095 N LYS A 71 10.859 4.137 -2.725 1.00 0.00 N ATOM 1096 CA LYS A 71 11.609 3.119 -3.441 1.00 0.00 C ATOM 1097 C LYS A 71 12.527 2.386 -2.462 1.00 0.00 C ATOM 1098 O LYS A 71 13.633 1.987 -2.822 1.00 0.00 O ATOM 1099 CB LYS A 71 12.347 3.736 -4.632 1.00 0.00 C ATOM 1100 CG LYS A 71 11.374 4.079 -5.762 1.00 0.00 C ATOM 1101 CD LYS A 71 11.966 5.142 -6.689 1.00 0.00 C ATOM 1102 CE LYS A 71 11.551 6.547 -6.249 1.00 0.00 C ATOM 1103 NZ LYS A 71 11.844 7.533 -7.315 1.00 0.00 N ATOM 0 H LYS A 71 11.405 4.951 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 71 10.934 2.375 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.871 4.637 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.102 3.040 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.143 3.180 -6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.435 4.439 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.053 5.064 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.633 4.964 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.487 6.561 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.082 6.820 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.556 8.481 -6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.864 7.531 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.318 7.280 -8.176 1.00 0.00 H new ATOM 1117 N ASP A 72 12.034 2.229 -1.242 1.00 0.00 N ATOM 1118 CA ASP A 72 12.796 1.550 -0.208 1.00 0.00 C ATOM 1119 C ASP A 72 11.862 1.173 0.943 1.00 0.00 C ATOM 1120 O ASP A 72 11.969 0.083 1.502 1.00 0.00 O ATOM 1121 CB ASP A 72 13.894 2.457 0.352 1.00 0.00 C ATOM 1122 CG ASP A 72 15.233 1.765 0.615 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.196 0.548 0.902 1.00 0.00 O ATOM 1124 OD2 ASP A 72 16.263 2.467 0.523 1.00 0.00 O ATOM 0 H ASP A 72 11.116 2.561 -0.947 1.00 0.00 H new ATOM 0 HA ASP A 72 13.251 0.664 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.057 3.278 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.540 2.897 1.284 1.00 0.00 H new ATOM 1130 N VAL A 73 10.966 2.096 1.263 1.00 0.00 N ATOM 1131 CA VAL A 73 10.013 1.873 2.337 1.00 0.00 C ATOM 1132 C VAL A 73 9.763 0.371 2.489 1.00 0.00 C ATOM 1133 O VAL A 73 10.394 -0.287 3.315 1.00 0.00 O ATOM 1134 CB VAL A 73 8.733 2.669 2.075 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.607 2.216 3.006 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.984 4.171 2.209 1.00 0.00 C ATOM 0 H VAL A 73 10.880 2.999 0.797 1.00 0.00 H new ATOM 0 HA VAL A 73 10.415 2.232 3.284 1.00 0.00 H new ATOM 0 HB VAL A 73 8.420 2.473 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.708 2.797 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.401 1.158 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.908 2.369 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.058 4.713 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.333 4.393 3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.741 4.479 1.487 1.00 0.00 H new ATOM 1146 N CYS A 74 8.842 -0.128 1.678 1.00 0.00 N ATOM 1147 CA CYS A 74 8.501 -1.540 1.711 1.00 0.00 C ATOM 1148 C CYS A 74 9.762 -2.331 2.066 1.00 0.00 C ATOM 1149 O CYS A 74 9.757 -3.123 3.007 1.00 0.00 O ATOM 1150 CB CYS A 74 7.890 -2.005 0.387 1.00 0.00 C ATOM 1151 SG CYS A 74 8.169 -0.877 -1.026 1.00 0.00 S ATOM 0 H CYS A 74 8.321 0.421 0.994 1.00 0.00 H new ATOM 0 HA CYS A 74 7.738 -1.715 2.470 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.299 -2.984 0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.816 -2.134 0.524 1.00 0.00 H new ATOM 1156 N THR A 75 10.812 -2.087 1.295 1.00 0.00 N ATOM 1157 CA THR A 75 12.077 -2.766 1.517 1.00 0.00 C ATOM 1158 C THR A 75 12.438 -2.748 3.004 1.00 0.00 C ATOM 1159 O THR A 75 12.645 -3.799 3.609 1.00 0.00 O ATOM 1160 CB THR A 75 13.131 -2.105 0.628 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.422 -1.771 -0.561 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.203 -3.091 0.158 1.00 0.00 C ATOM 0 H THR A 75 10.812 -1.429 0.516 1.00 0.00 H new ATOM 0 HA THR A 75 12.014 -3.819 1.243 1.00 0.00 H new ATOM 0 HB THR A 75 13.604 -1.287 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.056 -1.484 -1.250 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.926 -2.570 -0.470 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.712 -3.515 1.024 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.735 -3.891 -0.415 1.00 0.00 H new ATOM 1170 N LYS A 76 12.504 -1.543 3.549 1.00 0.00 N ATOM 1171 CA LYS A 76 12.837 -1.374 4.954 1.00 0.00 C ATOM 1172 C LYS A 76 12.034 -2.374 5.788 1.00 0.00 C ATOM 1173 O LYS A 76 12.576 -3.010 6.692 1.00 0.00 O ATOM 1174 CB LYS A 76 12.638 0.081 5.381 1.00 0.00 C ATOM 1175 CG LYS A 76 13.664 0.996 4.709 1.00 0.00 C ATOM 1176 CD LYS A 76 14.528 1.708 5.751 1.00 0.00 C ATOM 1177 CE LYS A 76 15.880 1.009 5.914 1.00 0.00 C ATOM 1178 NZ LYS A 76 16.854 1.911 6.568 1.00 0.00 N ATOM 0 H LYS A 76 12.333 -0.674 3.044 1.00 0.00 H new ATOM 0 HA LYS A 76 13.892 -1.590 5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.631 0.405 5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.729 0.161 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.299 0.410 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.150 1.733 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.684 2.744 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.007 1.728 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.758 0.103 6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.257 0.702 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.766 1.421 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.983 2.763 5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.499 2.183 7.507 1.00 0.00 H new ATOM 1192 N LEU A 77 10.757 -2.484 5.454 1.00 0.00 N ATOM 1193 CA LEU A 77 9.875 -3.397 6.161 1.00 0.00 C ATOM 1194 C LEU A 77 9.902 -4.763 5.471 1.00 0.00 C ATOM 1195 O LEU A 77 8.898 -5.473 5.454 1.00 0.00 O ATOM 1196 CB LEU A 77 8.472 -2.798 6.284 1.00 0.00 C ATOM 1197 CG LEU A 77 8.398 -1.272 6.362 1.00 0.00 C ATOM 1198 CD1 LEU A 77 7.019 -0.767 5.933 1.00 0.00 C ATOM 1199 CD2 LEU A 77 8.784 -0.774 7.756 1.00 0.00 C ATOM 0 H LEU A 77 10.312 -1.956 4.703 1.00 0.00 H new ATOM 0 HA LEU A 77 10.223 -3.549 7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.882 -3.127 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.999 -3.211 7.175 1.00 0.00 H new ATOM 0 HG LEU A 77 9.124 -0.859 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.994 0.321 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.822 -1.074 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.257 -1.187 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.723 0.314 7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.102 -1.195 8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.803 -1.086 7.985 1.00 0.00 H new ATOM 1211 N ASN A 78 11.062 -5.088 4.921 1.00 0.00 N ATOM 1212 CA ASN A 78 11.234 -6.356 4.232 1.00 0.00 C ATOM 1213 C ASN A 78 9.984 -6.653 3.400 1.00 0.00 C ATOM 1214 O ASN A 78 9.649 -7.813 3.169 1.00 0.00 O ATOM 1215 CB ASN A 78 11.422 -7.502 5.227 1.00 0.00 C ATOM 1216 CG ASN A 78 12.239 -8.638 4.605 1.00 0.00 C ATOM 1217 OD1 ASN A 78 13.361 -8.460 4.162 1.00 0.00 O ATOM 1218 ND2 ASN A 78 11.614 -9.812 4.599 1.00 0.00 N ATOM 0 H ASN A 78 11.892 -4.496 4.938 1.00 0.00 H new ATOM 0 HA ASN A 78 12.118 -6.279 3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.926 -7.134 6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.449 -7.879 5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.075 -10.633 4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.674 -9.891 4.987 1.00 0.00 H new ATOM 1225 N GLU A 79 9.329 -5.583 2.974 1.00 0.00 N ATOM 1226 CA GLU A 79 8.123 -5.715 2.173 1.00 0.00 C ATOM 1227 C GLU A 79 8.482 -5.871 0.694 1.00 0.00 C ATOM 1228 O GLU A 79 7.990 -6.778 0.024 1.00 0.00 O ATOM 1229 CB GLU A 79 7.190 -4.521 2.387 1.00 0.00 C ATOM 1230 CG GLU A 79 5.810 -4.981 2.863 1.00 0.00 C ATOM 1231 CD GLU A 79 4.997 -5.564 1.705 1.00 0.00 C ATOM 1232 OE1 GLU A 79 5.629 -5.906 0.683 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.761 -5.654 1.870 1.00 0.00 O ATOM 0 H GLU A 79 9.610 -4.622 3.168 1.00 0.00 H new ATOM 0 HA GLU A 79 7.593 -6.612 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.624 -3.843 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.090 -3.962 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.923 -5.730 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.273 -4.140 3.301 1.00 0.00 H new ATOM 1241 N CYS A 80 9.338 -4.974 0.228 1.00 0.00 N ATOM 1242 CA CYS A 80 9.769 -5.001 -1.160 1.00 0.00 C ATOM 1243 C CYS A 80 11.023 -5.873 -1.256 1.00 0.00 C ATOM 1244 O CYS A 80 11.964 -5.700 -0.484 1.00 0.00 O ATOM 1245 CB CYS A 80 10.010 -3.592 -1.706 1.00 0.00 C ATOM 1246 SG CYS A 80 8.723 -2.983 -2.855 1.00 0.00 S ATOM 0 H CYS A 80 9.745 -4.224 0.787 1.00 0.00 H new ATOM 0 HA CYS A 80 8.981 -5.429 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 80 10.085 -2.900 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.972 -3.576 -2.219 1.00 0.00 H new ATOM 1251 N PRO A 81 10.994 -6.814 -2.237 1.00 0.00 N ATOM 1252 CA PRO A 81 9.840 -6.953 -3.108 1.00 0.00 C ATOM 1253 C PRO A 81 8.679 -7.629 -2.377 1.00 0.00 C ATOM 1254 O PRO A 81 8.720 -8.829 -2.114 1.00 0.00 O ATOM 1255 CB PRO A 81 10.340 -7.755 -4.299 1.00 0.00 C ATOM 1256 CG PRO A 81 11.620 -8.432 -3.838 1.00 0.00 C ATOM 1257 CD PRO A 81 12.056 -7.770 -2.540 1.00 0.00 C ATOM 0 HA PRO A 81 9.439 -5.992 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.600 -8.491 -4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.527 -7.107 -5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.454 -9.499 -3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.397 -8.335 -4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.170 -8.502 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.018 -7.270 -2.654 1.00 0.00 H new