USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 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 36 CYS SG : rot 11:sc= 0.332 USER MOD Set 1.2: A 49 CYS SG : rot 179:sc= 0.164 USER MOD Single : A 5 MET CE :methyl -134:sc= -0.448 (180deg=-1.11) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.93) USER MOD Single : A 15 SER OG : rot -140:sc= -0.527 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0695 USER MOD Single : A 25 GLN : amide:sc= -0.963 K(o=-0.96,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.21) USER MOD Single : A 33 CYS SG : rot 176:sc= -0.708 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -0.0081 (180deg=-0.136) USER MOD Single : A 35 ASN : amide:sc= 1.08 K(o=1.1,f=-1.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-3!) USER MOD Single : A 56 HIS : no HE2:sc= -0.385 X(o=-0.38,f=-0.79) USER MOD Single : A 58 HIS : no HE2:sc= -3.56! K(o=-3.6!,f=-4.3) USER MOD Single : A 66 MET CE :methyl 168:sc= -3.42! (180deg=-3.62!) USER MOD Single : A 67 ASN : amide:sc= -3.06 K(o=-3.1,f=-0.39) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 156:sc= -0.0909 (180deg=-1.15) USER MOD Single : A 74 LYS NZ :NH3+ 141:sc= 0.82 (180deg=0.422) USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= -0.0476 (180deg=-0.331) USER MOD Single : A 79 ASN : amide:sc= 0.0169 X(o=0.017,f=0.42) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -5.192 -11.864 -0.461 1.00 0.00 N ATOM 63 CA MET A 5 -4.635 -10.807 0.366 1.00 0.00 C ATOM 64 C MET A 5 -5.196 -9.453 -0.046 1.00 0.00 C ATOM 65 O MET A 5 -4.624 -8.783 -0.904 1.00 0.00 O ATOM 66 CB MET A 5 -3.109 -10.764 0.249 1.00 0.00 C ATOM 67 CG MET A 5 -2.406 -12.031 0.699 1.00 0.00 C ATOM 68 SD MET A 5 -0.610 -11.860 0.681 1.00 0.00 S ATOM 69 CE MET A 5 -0.312 -11.495 -1.047 1.00 0.00 C ATOM 0 HA MET A 5 -4.911 -11.021 1.399 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.843 -10.565 -0.789 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.736 -9.927 0.840 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.734 -12.288 1.706 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.697 -12.856 0.049 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.517 -12.103 -1.410 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.208 -11.720 -1.626 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.063 -10.440 -1.158 1.00 0.00 H new ATOM 79 N PRO A 6 -6.327 -9.034 0.548 1.00 0.00 N ATOM 80 CA PRO A 6 -6.898 -7.707 0.307 1.00 0.00 C ATOM 81 C PRO A 6 -5.915 -6.600 0.679 1.00 0.00 C ATOM 82 O PRO A 6 -5.747 -6.264 1.853 1.00 0.00 O ATOM 83 CB PRO A 6 -8.134 -7.658 1.217 1.00 0.00 C ATOM 84 CG PRO A 6 -7.944 -8.767 2.196 1.00 0.00 C ATOM 85 CD PRO A 6 -7.146 -9.817 1.484 1.00 0.00 C ATOM 0 HA PRO A 6 -7.139 -7.551 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.213 -6.696 1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.051 -7.792 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.421 -8.416 3.086 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.904 -9.164 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.530 -10.393 2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.788 -10.527 0.962 1.00 0.00 H new ATOM 93 N LYS A 7 -5.227 -6.077 -0.325 1.00 0.00 N ATOM 94 CA LYS A 7 -4.282 -4.989 -0.116 1.00 0.00 C ATOM 95 C LYS A 7 -4.999 -3.651 -0.233 1.00 0.00 C ATOM 96 O LYS A 7 -4.455 -2.599 0.112 1.00 0.00 O ATOM 97 CB LYS A 7 -3.142 -5.072 -1.134 1.00 0.00 C ATOM 98 CG LYS A 7 -2.282 -6.315 -0.978 1.00 0.00 C ATOM 99 CD LYS A 7 -1.302 -6.464 -2.126 1.00 0.00 C ATOM 100 CE LYS A 7 -0.402 -7.672 -1.929 1.00 0.00 C ATOM 101 NZ LYS A 7 0.478 -7.907 -3.101 1.00 0.00 N ATOM 0 H LYS A 7 -5.305 -6.388 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.858 -5.076 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.561 -5.053 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.512 -4.188 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.735 -6.264 -0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.921 -7.196 -0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.849 -6.564 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.693 -5.563 -2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.211 -7.526 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.015 -8.556 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.075 -8.740 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.106 -8.072 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.082 -7.074 -3.254 1.00 0.00 H new ATOM 115 N THR A 8 -6.221 -3.707 -0.736 1.00 0.00 N ATOM 116 CA THR A 8 -7.061 -2.535 -0.859 1.00 0.00 C ATOM 117 C THR A 8 -8.149 -2.570 0.207 1.00 0.00 C ATOM 118 O THR A 8 -8.808 -3.595 0.398 1.00 0.00 O ATOM 119 CB THR A 8 -7.711 -2.472 -2.255 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.713 -2.688 -3.262 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.387 -1.129 -2.489 1.00 0.00 C ATOM 0 H THR A 8 -6.655 -4.568 -1.069 1.00 0.00 H new ATOM 0 HA THR A 8 -6.440 -1.650 -0.724 1.00 0.00 H new ATOM 0 HB THR A 8 -8.471 -3.252 -2.311 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.129 -2.649 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.836 -1.116 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.162 -0.976 -1.738 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.648 -0.332 -2.414 1.00 0.00 H new ATOM 129 N LEU A 9 -8.320 -1.467 0.915 1.00 0.00 N ATOM 130 CA LEU A 9 -9.323 -1.395 1.959 1.00 0.00 C ATOM 131 C LEU A 9 -10.583 -0.725 1.430 1.00 0.00 C ATOM 132 O LEU A 9 -10.532 0.388 0.900 1.00 0.00 O ATOM 133 CB LEU A 9 -8.792 -0.640 3.188 1.00 0.00 C ATOM 134 CG LEU A 9 -7.637 -1.313 3.946 1.00 0.00 C ATOM 135 CD1 LEU A 9 -7.948 -2.777 4.202 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.323 -1.165 3.195 1.00 0.00 C ATOM 0 H LEU A 9 -7.778 -0.612 0.785 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.565 -2.412 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.463 0.349 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.618 -0.491 3.883 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.529 -0.810 4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.119 -3.237 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.856 -2.857 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.093 -3.290 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.526 -1.652 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.411 -1.630 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.089 -0.107 3.076 1.00 0.00 H new ATOM 148 N TYR A 10 -11.705 -1.419 1.560 1.00 0.00 N ATOM 149 CA TYR A 10 -12.982 -0.910 1.091 1.00 0.00 C ATOM 150 C TYR A 10 -13.675 -0.148 2.211 1.00 0.00 C ATOM 151 O TYR A 10 -14.261 -0.747 3.112 1.00 0.00 O ATOM 152 CB TYR A 10 -13.868 -2.069 0.616 1.00 0.00 C ATOM 153 CG TYR A 10 -15.152 -1.646 -0.077 1.00 0.00 C ATOM 154 CD1 TYR A 10 -15.322 -1.858 -1.436 1.00 0.00 C ATOM 155 CD2 TYR A 10 -16.195 -1.047 0.625 1.00 0.00 C ATOM 156 CE1 TYR A 10 -16.487 -1.487 -2.078 1.00 0.00 C ATOM 157 CE2 TYR A 10 -17.362 -0.671 -0.010 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.504 -0.894 -1.360 1.00 0.00 C ATOM 159 OH TYR A 10 -18.670 -0.522 -1.995 1.00 0.00 O ATOM 0 H TYR A 10 -11.754 -2.343 1.990 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.810 -0.234 0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.291 -2.692 -0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.123 -2.689 1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.529 -2.322 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.089 -0.873 1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.601 -1.661 -3.138 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.159 -0.204 0.550 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.283 -0.120 -1.345 1.00 0.00 H new ATOM 169 N VAL A 11 -13.596 1.168 2.160 1.00 0.00 N ATOM 170 CA VAL A 11 -14.262 1.998 3.146 1.00 0.00 C ATOM 171 C VAL A 11 -15.514 2.607 2.547 1.00 0.00 C ATOM 172 O VAL A 11 -15.439 3.359 1.581 1.00 0.00 O ATOM 173 CB VAL A 11 -13.356 3.127 3.675 1.00 0.00 C ATOM 174 CG1 VAL A 11 -14.057 3.899 4.786 1.00 0.00 C ATOM 175 CG2 VAL A 11 -12.037 2.563 4.164 1.00 0.00 C ATOM 0 H VAL A 11 -13.079 1.684 1.448 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.516 1.352 3.987 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.151 3.817 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.402 4.692 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.978 4.336 4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.293 3.222 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.409 3.374 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.222 1.851 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.530 2.058 3.342 1.00 0.00 H new ATOM 185 N GLY A 12 -16.655 2.269 3.106 1.00 0.00 N ATOM 186 CA GLY A 12 -17.897 2.832 2.641 1.00 0.00 C ATOM 187 C GLY A 12 -18.548 3.681 3.699 1.00 0.00 C ATOM 188 O GLY A 12 -18.085 3.712 4.843 1.00 0.00 O ATOM 0 H GLY A 12 -16.746 1.610 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.714 3.434 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.575 2.030 2.349 1.00 0.00 H new ATOM 192 N ASN A 13 -19.615 4.368 3.313 1.00 0.00 N ATOM 193 CA ASN A 13 -20.317 5.291 4.195 1.00 0.00 C ATOM 194 C ASN A 13 -19.435 6.486 4.535 1.00 0.00 C ATOM 195 O ASN A 13 -19.057 6.700 5.683 1.00 0.00 O ATOM 196 CB ASN A 13 -20.810 4.590 5.468 1.00 0.00 C ATOM 197 CG ASN A 13 -21.979 3.653 5.211 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.138 2.632 5.882 1.00 0.00 O ATOM 199 ND2 ASN A 13 -22.818 3.992 4.243 1.00 0.00 N ATOM 0 H ASN A 13 -20.019 4.301 2.379 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.196 5.655 3.663 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.988 4.025 5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.107 5.342 6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.623 3.401 4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.659 4.844 3.705 1.00 0.00 H new ATOM 206 N LEU A 14 -19.109 7.257 3.509 1.00 0.00 N ATOM 207 CA LEU A 14 -18.312 8.468 3.666 1.00 0.00 C ATOM 208 C LEU A 14 -19.223 9.689 3.709 1.00 0.00 C ATOM 209 O LEU A 14 -20.443 9.560 3.821 1.00 0.00 O ATOM 210 CB LEU A 14 -17.301 8.595 2.515 1.00 0.00 C ATOM 211 CG LEU A 14 -16.016 7.764 2.656 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.215 8.212 3.868 1.00 0.00 C ATOM 213 CD2 LEU A 14 -16.319 6.278 2.748 1.00 0.00 C ATOM 0 H LEU A 14 -19.387 7.064 2.547 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.761 8.408 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.797 8.307 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.023 9.644 2.415 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.420 7.931 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.310 7.610 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.944 9.262 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.816 8.085 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.387 5.722 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.949 6.088 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.839 5.956 1.846 1.00 0.00 H new ATOM 225 N SER A 15 -18.633 10.870 3.633 1.00 0.00 N ATOM 226 CA SER A 15 -19.388 12.110 3.686 1.00 0.00 C ATOM 227 C SER A 15 -18.709 13.185 2.847 1.00 0.00 C ATOM 228 O SER A 15 -17.539 13.059 2.490 1.00 0.00 O ATOM 229 CB SER A 15 -19.523 12.571 5.136 1.00 0.00 C ATOM 230 OG SER A 15 -20.341 11.684 5.875 1.00 0.00 O ATOM 0 H SER A 15 -17.626 10.996 3.534 1.00 0.00 H new ATOM 0 HA SER A 15 -20.383 11.935 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.537 12.631 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 15 -19.949 13.574 5.165 1.00 0.00 H new ATOM 0 HG SER A 15 -20.918 12.197 6.479 1.00 0.00 H new ATOM 236 N ARG A 16 -19.453 14.249 2.550 1.00 0.00 N ATOM 237 CA ARG A 16 -18.981 15.304 1.652 1.00 0.00 C ATOM 238 C ARG A 16 -17.993 16.228 2.358 1.00 0.00 C ATOM 239 O ARG A 16 -17.299 17.018 1.719 1.00 0.00 O ATOM 240 CB ARG A 16 -20.158 16.130 1.107 1.00 0.00 C ATOM 241 CG ARG A 16 -21.028 15.397 0.090 1.00 0.00 C ATOM 242 CD ARG A 16 -21.935 14.363 0.744 1.00 0.00 C ATOM 243 NE ARG A 16 -22.683 13.589 -0.247 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.412 12.508 0.039 1.00 0.00 C ATOM 245 NH1 ARG A 16 -23.556 12.102 1.291 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.011 11.832 -0.935 1.00 0.00 N ATOM 0 H ARG A 16 -20.391 14.405 2.920 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.473 14.817 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.784 16.443 1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.766 17.036 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.637 16.120 -0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.389 14.905 -0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.335 13.688 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.633 14.864 1.415 1.00 0.00 H new ATOM 0 HE ARG A 16 -22.645 13.895 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.108 12.617 2.049 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.115 11.275 1.498 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -23.914 12.139 -1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.568 11.006 -0.715 1.00 0.00 H new ATOM 260 N ASP A 17 -17.941 16.125 3.675 1.00 0.00 N ATOM 261 CA ASP A 17 -17.022 16.921 4.475 1.00 0.00 C ATOM 262 C ASP A 17 -15.773 16.111 4.817 1.00 0.00 C ATOM 263 O ASP A 17 -14.922 16.550 5.591 1.00 0.00 O ATOM 264 CB ASP A 17 -17.717 17.423 5.747 1.00 0.00 C ATOM 265 CG ASP A 17 -18.288 16.305 6.598 1.00 0.00 C ATOM 266 OD1 ASP A 17 -17.862 16.163 7.761 1.00 0.00 O ATOM 267 OD2 ASP A 17 -19.180 15.572 6.109 1.00 0.00 O ATOM 0 H ASP A 17 -18.529 15.493 4.218 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.713 17.789 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.004 17.995 6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.520 18.105 5.469 1.00 0.00 H new ATOM 272 N VAL A 18 -15.665 14.934 4.217 1.00 0.00 N ATOM 273 CA VAL A 18 -14.495 14.088 4.385 1.00 0.00 C ATOM 274 C VAL A 18 -13.636 14.151 3.126 1.00 0.00 C ATOM 275 O VAL A 18 -14.065 13.733 2.052 1.00 0.00 O ATOM 276 CB VAL A 18 -14.893 12.625 4.674 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.661 11.760 4.884 1.00 0.00 C ATOM 278 CG2 VAL A 18 -15.816 12.546 5.884 1.00 0.00 C ATOM 0 H VAL A 18 -16.381 14.542 3.605 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.928 14.456 5.240 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.432 12.244 3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.967 10.734 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.042 11.784 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.089 12.141 5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.084 11.506 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.306 12.951 6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.719 13.125 5.691 1.00 0.00 H new ATOM 288 N THR A 19 -12.434 14.688 3.262 1.00 0.00 N ATOM 289 CA THR A 19 -11.574 14.944 2.115 1.00 0.00 C ATOM 290 C THR A 19 -10.567 13.815 1.882 1.00 0.00 C ATOM 291 O THR A 19 -10.272 13.037 2.796 1.00 0.00 O ATOM 292 CB THR A 19 -10.817 16.282 2.286 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.977 16.539 1.155 1.00 0.00 O ATOM 294 CG2 THR A 19 -9.965 16.272 3.544 1.00 0.00 C ATOM 0 H THR A 19 -12.029 14.956 4.159 1.00 0.00 H new ATOM 0 HA THR A 19 -12.225 15.001 1.243 1.00 0.00 H new ATOM 0 HB THR A 19 -11.566 17.070 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.509 17.390 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.444 17.225 3.638 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.603 16.119 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.235 15.465 3.483 1.00 0.00 H new ATOM 302 N GLU A 20 -10.050 13.742 0.658 1.00 0.00 N ATOM 303 CA GLU A 20 -9.023 12.772 0.289 1.00 0.00 C ATOM 304 C GLU A 20 -7.831 12.850 1.245 1.00 0.00 C ATOM 305 O GLU A 20 -7.390 11.833 1.789 1.00 0.00 O ATOM 306 CB GLU A 20 -8.556 13.049 -1.143 1.00 0.00 C ATOM 307 CG GLU A 20 -7.399 12.177 -1.604 1.00 0.00 C ATOM 308 CD GLU A 20 -6.747 12.708 -2.863 1.00 0.00 C ATOM 309 OE1 GLU A 20 -7.069 12.218 -3.965 1.00 0.00 O ATOM 310 OE2 GLU A 20 -5.916 13.636 -2.760 1.00 0.00 O ATOM 0 H GLU A 20 -10.332 14.355 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.448 11.770 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.397 12.905 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.260 14.095 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.655 12.115 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.759 11.164 -1.783 1.00 0.00 H new ATOM 317 N ALA A 21 -7.333 14.071 1.456 1.00 0.00 N ATOM 318 CA ALA A 21 -6.157 14.302 2.294 1.00 0.00 C ATOM 319 C ALA A 21 -6.364 13.766 3.707 1.00 0.00 C ATOM 320 O ALA A 21 -5.434 13.253 4.329 1.00 0.00 O ATOM 321 CB ALA A 21 -5.820 15.788 2.336 1.00 0.00 C ATOM 0 H ALA A 21 -7.731 14.920 1.054 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.321 13.761 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.943 15.945 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.612 16.143 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.664 16.341 2.748 1.00 0.00 H new ATOM 327 N LEU A 22 -7.591 13.878 4.201 1.00 0.00 N ATOM 328 CA LEU A 22 -7.930 13.390 5.529 1.00 0.00 C ATOM 329 C LEU A 22 -7.840 11.871 5.565 1.00 0.00 C ATOM 330 O LEU A 22 -7.160 11.299 6.414 1.00 0.00 O ATOM 331 CB LEU A 22 -9.344 13.837 5.914 1.00 0.00 C ATOM 332 CG LEU A 22 -9.821 13.382 7.291 1.00 0.00 C ATOM 333 CD1 LEU A 22 -9.018 14.070 8.388 1.00 0.00 C ATOM 334 CD2 LEU A 22 -11.308 13.658 7.453 1.00 0.00 C ATOM 0 H LEU A 22 -8.369 14.304 3.698 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.222 13.806 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.386 14.925 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.042 13.464 5.165 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.662 12.307 7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.371 13.734 9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.963 13.819 8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.144 15.150 8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.634 13.328 8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.493 14.727 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.864 13.117 6.688 1.00 0.00 H new ATOM 346 N ILE A 23 -8.524 11.230 4.624 1.00 0.00 N ATOM 347 CA ILE A 23 -8.531 9.775 4.527 1.00 0.00 C ATOM 348 C ILE A 23 -7.108 9.239 4.393 1.00 0.00 C ATOM 349 O ILE A 23 -6.717 8.303 5.092 1.00 0.00 O ATOM 350 CB ILE A 23 -9.391 9.303 3.330 1.00 0.00 C ATOM 351 CG1 ILE A 23 -10.858 9.680 3.550 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.256 7.803 3.108 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.456 9.077 4.805 1.00 0.00 C ATOM 0 H ILE A 23 -9.085 11.699 3.913 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.971 9.381 5.443 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.026 9.807 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.942 10.765 3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.441 9.357 2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.872 7.504 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.214 7.558 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.585 7.272 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.497 9.386 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.404 7.990 4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.897 9.421 5.676 1.00 0.00 H new ATOM 365 N LEU A 24 -6.332 9.856 3.508 1.00 0.00 N ATOM 366 CA LEU A 24 -4.939 9.484 3.317 1.00 0.00 C ATOM 367 C LEU A 24 -4.169 9.549 4.630 1.00 0.00 C ATOM 368 O LEU A 24 -3.496 8.596 4.999 1.00 0.00 O ATOM 369 CB LEU A 24 -4.290 10.390 2.271 1.00 0.00 C ATOM 370 CG LEU A 24 -3.983 9.711 0.938 1.00 0.00 C ATOM 371 CD1 LEU A 24 -5.239 9.089 0.355 1.00 0.00 C ATOM 372 CD2 LEU A 24 -3.379 10.707 -0.035 1.00 0.00 C ATOM 0 H LEU A 24 -6.648 10.619 2.910 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.907 8.455 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.949 11.239 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.363 10.789 2.682 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.258 8.916 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.001 8.610 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.632 8.345 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.987 9.865 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.166 10.208 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.083 11.522 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.454 11.107 0.381 1.00 0.00 H new ATOM 384 N GLN A 25 -4.299 10.661 5.344 1.00 0.00 N ATOM 385 CA GLN A 25 -3.610 10.841 6.618 1.00 0.00 C ATOM 386 C GLN A 25 -4.025 9.774 7.634 1.00 0.00 C ATOM 387 O GLN A 25 -3.191 9.230 8.363 1.00 0.00 O ATOM 388 CB GLN A 25 -3.907 12.229 7.183 1.00 0.00 C ATOM 389 CG GLN A 25 -3.248 12.486 8.524 1.00 0.00 C ATOM 390 CD GLN A 25 -3.611 13.839 9.107 1.00 0.00 C ATOM 391 OE1 GLN A 25 -3.679 14.006 10.324 1.00 0.00 O ATOM 392 NE2 GLN A 25 -3.840 14.814 8.244 1.00 0.00 N ATOM 0 H GLN A 25 -4.876 11.453 5.062 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.540 10.740 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.571 12.983 6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.985 12.348 7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.541 11.703 9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.166 12.423 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.773 14.634 7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.083 15.746 8.580 1.00 0.00 H new ATOM 401 N LEU A 26 -5.318 9.481 7.672 1.00 0.00 N ATOM 402 CA LEU A 26 -5.869 8.514 8.616 1.00 0.00 C ATOM 403 C LEU A 26 -5.314 7.113 8.377 1.00 0.00 C ATOM 404 O LEU A 26 -5.058 6.374 9.323 1.00 0.00 O ATOM 405 CB LEU A 26 -7.399 8.506 8.538 1.00 0.00 C ATOM 406 CG LEU A 26 -8.115 9.418 9.540 1.00 0.00 C ATOM 407 CD1 LEU A 26 -7.955 8.884 10.952 1.00 0.00 C ATOM 408 CD2 LEU A 26 -7.587 10.843 9.458 1.00 0.00 C ATOM 0 H LEU A 26 -6.012 9.903 7.054 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.567 8.820 9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.696 8.798 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.748 7.484 8.689 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.174 9.430 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.469 9.544 11.651 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.384 7.884 11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.896 8.840 11.207 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.113 11.468 10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.520 10.849 9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.749 11.234 8.454 1.00 0.00 H new ATOM 420 N PHE A 27 -5.133 6.747 7.120 1.00 0.00 N ATOM 421 CA PHE A 27 -4.590 5.438 6.789 1.00 0.00 C ATOM 422 C PHE A 27 -3.062 5.447 6.779 1.00 0.00 C ATOM 423 O PHE A 27 -2.428 4.453 7.134 1.00 0.00 O ATOM 424 CB PHE A 27 -5.137 4.958 5.444 1.00 0.00 C ATOM 425 CG PHE A 27 -6.567 4.505 5.512 1.00 0.00 C ATOM 426 CD1 PHE A 27 -7.600 5.364 5.183 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.873 3.215 5.907 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.912 4.945 5.252 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.184 2.790 5.977 1.00 0.00 C ATOM 430 CZ PHE A 27 -9.205 3.656 5.647 1.00 0.00 C ATOM 0 H PHE A 27 -5.352 7.333 6.314 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.907 4.741 7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.053 5.765 4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.520 4.136 5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.377 6.373 4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.076 2.532 6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.710 5.626 4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.410 1.781 6.290 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.232 3.326 5.698 1.00 0.00 H new ATOM 440 N SER A 28 -2.482 6.582 6.396 1.00 0.00 N ATOM 441 CA SER A 28 -1.031 6.724 6.279 1.00 0.00 C ATOM 442 C SER A 28 -0.321 6.406 7.591 1.00 0.00 C ATOM 443 O SER A 28 0.770 5.830 7.593 1.00 0.00 O ATOM 444 CB SER A 28 -0.679 8.147 5.828 1.00 0.00 C ATOM 445 OG SER A 28 0.722 8.320 5.681 1.00 0.00 O ATOM 0 H SER A 28 -3.002 7.427 6.159 1.00 0.00 H new ATOM 0 HA SER A 28 -0.688 6.006 5.534 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.173 8.361 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.060 8.864 6.555 1.00 0.00 H new ATOM 0 HG SER A 28 0.910 9.237 5.391 1.00 0.00 H new ATOM 451 N GLN A 29 -0.939 6.776 8.705 1.00 0.00 N ATOM 452 CA GLN A 29 -0.345 6.548 10.017 1.00 0.00 C ATOM 453 C GLN A 29 -0.298 5.058 10.354 1.00 0.00 C ATOM 454 O GLN A 29 0.478 4.629 11.210 1.00 0.00 O ATOM 455 CB GLN A 29 -1.114 7.329 11.084 1.00 0.00 C ATOM 456 CG GLN A 29 -2.603 7.036 11.101 1.00 0.00 C ATOM 457 CD GLN A 29 -3.384 8.050 11.910 1.00 0.00 C ATOM 458 OE1 GLN A 29 -3.594 7.880 13.110 1.00 0.00 O ATOM 459 NE2 GLN A 29 -3.819 9.119 11.259 1.00 0.00 N ATOM 0 H GLN A 29 -1.850 7.235 8.727 1.00 0.00 H new ATOM 0 HA GLN A 29 0.684 6.908 9.996 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.696 7.097 12.063 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.965 8.396 10.919 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.979 7.024 10.078 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.770 6.041 11.513 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.624 9.224 10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.348 9.837 11.754 1.00 0.00 H new ATOM 468 N ILE A 30 -1.118 4.270 9.666 1.00 0.00 N ATOM 469 CA ILE A 30 -1.114 2.823 9.835 1.00 0.00 C ATOM 470 C ILE A 30 -0.155 2.195 8.830 1.00 0.00 C ATOM 471 O ILE A 30 0.678 1.353 9.177 1.00 0.00 O ATOM 472 CB ILE A 30 -2.523 2.215 9.636 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.552 2.932 10.521 1.00 0.00 C ATOM 474 CG2 ILE A 30 -2.509 0.720 9.935 1.00 0.00 C ATOM 475 CD1 ILE A 30 -3.265 2.838 12.004 1.00 0.00 C ATOM 0 H ILE A 30 -1.795 4.612 8.984 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.793 2.610 10.855 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.811 2.354 8.594 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.591 3.983 10.235 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.539 2.512 10.326 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.509 0.310 9.790 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.811 0.221 9.263 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.197 0.558 10.967 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.038 3.370 12.559 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.256 1.791 12.307 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.294 3.285 12.216 1.00 0.00 H new ATOM 487 N GLY A 31 -0.288 2.611 7.579 1.00 0.00 N ATOM 488 CA GLY A 31 0.603 2.156 6.533 1.00 0.00 C ATOM 489 C GLY A 31 0.627 3.106 5.353 1.00 0.00 C ATOM 490 O GLY A 31 -0.328 3.850 5.140 1.00 0.00 O ATOM 0 H GLY A 31 -1.007 3.264 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.611 2.052 6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.291 1.167 6.196 1.00 0.00 H new ATOM 494 N PRO A 32 1.711 3.104 4.568 1.00 0.00 N ATOM 495 CA PRO A 32 1.861 4.001 3.421 1.00 0.00 C ATOM 496 C PRO A 32 0.904 3.663 2.278 1.00 0.00 C ATOM 497 O PRO A 32 0.887 2.535 1.769 1.00 0.00 O ATOM 498 CB PRO A 32 3.319 3.789 2.981 1.00 0.00 C ATOM 499 CG PRO A 32 3.968 3.071 4.115 1.00 0.00 C ATOM 500 CD PRO A 32 2.885 2.241 4.729 1.00 0.00 C ATOM 0 HA PRO A 32 1.628 5.032 3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.372 3.205 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.813 4.740 2.783 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.791 2.448 3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.384 3.773 4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.763 1.286 4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.087 2.018 5.777 1.00 0.00 H new ATOM 508 N CYS A 33 0.117 4.651 1.886 1.00 0.00 N ATOM 509 CA CYS A 33 -0.832 4.516 0.793 1.00 0.00 C ATOM 510 C CYS A 33 -0.299 5.228 -0.442 1.00 0.00 C ATOM 511 O CYS A 33 0.323 6.288 -0.332 1.00 0.00 O ATOM 512 CB CYS A 33 -2.183 5.106 1.212 1.00 0.00 C ATOM 513 SG CYS A 33 -2.057 6.709 2.043 1.00 0.00 S ATOM 0 H CYS A 33 0.118 5.574 2.319 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.968 3.461 0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.811 5.215 0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.686 4.402 1.875 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.249 7.169 2.282 1.00 0.00 H new ATOM 519 N LYS A 34 -0.514 4.641 -1.609 1.00 0.00 N ATOM 520 CA LYS A 34 -0.041 5.238 -2.855 1.00 0.00 C ATOM 521 C LYS A 34 -1.206 5.683 -3.730 1.00 0.00 C ATOM 522 O LYS A 34 -1.119 6.688 -4.432 1.00 0.00 O ATOM 523 CB LYS A 34 0.844 4.249 -3.618 1.00 0.00 C ATOM 524 CG LYS A 34 1.379 4.780 -4.939 1.00 0.00 C ATOM 525 CD LYS A 34 2.171 6.064 -4.751 1.00 0.00 C ATOM 526 CE LYS A 34 2.744 6.565 -6.066 1.00 0.00 C ATOM 527 NZ LYS A 34 3.780 5.647 -6.606 1.00 0.00 N ATOM 0 H LYS A 34 -1.010 3.757 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 34 0.549 6.119 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.686 3.969 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.273 3.341 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.014 4.026 -5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.548 4.962 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.527 6.830 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.981 5.892 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.940 6.673 -6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.177 7.555 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.286 6.115 -7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.454 5.402 -5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.326 4.781 -6.959 1.00 0.00 H new ATOM 541 N ASN A 35 -2.304 4.951 -3.666 1.00 0.00 N ATOM 542 CA ASN A 35 -3.450 5.244 -4.510 1.00 0.00 C ATOM 543 C ASN A 35 -4.710 5.357 -3.673 1.00 0.00 C ATOM 544 O ASN A 35 -4.849 4.684 -2.647 1.00 0.00 O ATOM 545 CB ASN A 35 -3.636 4.158 -5.570 1.00 0.00 C ATOM 546 CG ASN A 35 -4.666 4.545 -6.614 1.00 0.00 C ATOM 547 OD1 ASN A 35 -4.788 5.713 -6.981 1.00 0.00 O ATOM 548 ND2 ASN A 35 -5.421 3.569 -7.086 1.00 0.00 N ATOM 0 H ASN A 35 -2.427 4.153 -3.042 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.264 6.195 -5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.682 3.963 -6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.942 3.230 -5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.139 3.771 -7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.286 2.614 -6.754 1.00 0.00 H new ATOM 555 N CYS A 36 -5.619 6.208 -4.117 1.00 0.00 N ATOM 556 CA CYS A 36 -6.859 6.451 -3.409 1.00 0.00 C ATOM 557 C CYS A 36 -7.952 6.830 -4.388 1.00 0.00 C ATOM 558 O CYS A 36 -7.806 7.773 -5.170 1.00 0.00 O ATOM 559 CB CYS A 36 -6.671 7.570 -2.395 1.00 0.00 C ATOM 560 SG CYS A 36 -8.140 7.952 -1.415 1.00 0.00 S ATOM 0 H CYS A 36 -5.516 6.748 -4.977 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.147 5.539 -2.886 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.860 7.298 -1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.358 8.471 -2.922 1.00 0.00 H new ATOM 0 HG CYS A 36 -9.042 7.037 -1.611 1.00 0.00 H new ATOM 566 N LYS A 37 -9.036 6.089 -4.352 1.00 0.00 N ATOM 567 CA LYS A 37 -10.170 6.358 -5.208 1.00 0.00 C ATOM 568 C LYS A 37 -11.418 6.582 -4.380 1.00 0.00 C ATOM 569 O LYS A 37 -12.002 5.643 -3.845 1.00 0.00 O ATOM 570 CB LYS A 37 -10.385 5.193 -6.157 1.00 0.00 C ATOM 571 CG LYS A 37 -9.473 5.203 -7.374 1.00 0.00 C ATOM 572 CD LYS A 37 -9.806 6.356 -8.312 1.00 0.00 C ATOM 573 CE LYS A 37 -11.208 6.219 -8.890 1.00 0.00 C ATOM 574 NZ LYS A 37 -11.515 7.302 -9.861 1.00 0.00 N ATOM 0 H LYS A 37 -9.157 5.288 -3.733 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.967 7.261 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.233 4.262 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.422 5.200 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.435 5.283 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.568 4.258 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.724 7.300 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.079 6.388 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.305 5.251 -9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.938 6.239 -8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.478 7.173 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.448 8.224 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.834 7.267 -10.646 1.00 0.00 H new ATOM 588 N MET A 38 -11.829 7.828 -4.290 1.00 0.00 N ATOM 589 CA MET A 38 -12.999 8.187 -3.513 1.00 0.00 C ATOM 590 C MET A 38 -14.214 8.334 -4.420 1.00 0.00 C ATOM 591 O MET A 38 -14.351 9.311 -5.155 1.00 0.00 O ATOM 592 CB MET A 38 -12.759 9.473 -2.700 1.00 0.00 C ATOM 593 CG MET A 38 -12.336 10.690 -3.516 1.00 0.00 C ATOM 594 SD MET A 38 -10.697 10.525 -4.250 1.00 0.00 S ATOM 595 CE MET A 38 -10.510 12.131 -5.016 1.00 0.00 C ATOM 0 H MET A 38 -11.368 8.615 -4.747 1.00 0.00 H new ATOM 0 HA MET A 38 -13.193 7.383 -2.803 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.674 9.718 -2.160 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.992 9.273 -1.952 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.066 10.859 -4.308 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.352 11.571 -2.875 1.00 0.00 H new ATOM 0 HE1 MET A 38 -9.542 12.186 -5.514 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.304 12.279 -5.748 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.571 12.907 -4.253 1.00 0.00 H new ATOM 605 N ILE A 39 -15.085 7.343 -4.378 1.00 0.00 N ATOM 606 CA ILE A 39 -16.292 7.354 -5.181 1.00 0.00 C ATOM 607 C ILE A 39 -17.403 8.052 -4.406 1.00 0.00 C ATOM 608 O ILE A 39 -18.192 7.410 -3.707 1.00 0.00 O ATOM 609 CB ILE A 39 -16.746 5.924 -5.543 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.549 5.054 -5.954 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.781 5.965 -6.659 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.766 5.586 -7.136 1.00 0.00 C ATOM 0 H ILE A 39 -14.977 6.515 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.079 7.887 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 39 -17.201 5.477 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.876 4.957 -5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.908 4.053 -6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.092 4.950 -6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.647 6.541 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.346 6.434 -7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.939 4.911 -7.358 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.421 5.656 -8.004 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.373 6.574 -6.897 1.00 0.00 H new ATOM 710 N PRO A 47 -21.339 7.389 -0.643 1.00 0.00 N ATOM 711 CA PRO A 47 -19.921 7.505 -1.008 1.00 0.00 C ATOM 712 C PRO A 47 -19.003 6.511 -0.303 1.00 0.00 C ATOM 713 O PRO A 47 -19.097 6.300 0.906 1.00 0.00 O ATOM 714 CB PRO A 47 -19.557 8.944 -0.605 1.00 0.00 C ATOM 715 CG PRO A 47 -20.794 9.541 -0.010 1.00 0.00 C ATOM 716 CD PRO A 47 -21.942 8.714 -0.509 1.00 0.00 C ATOM 0 HA PRO A 47 -19.783 7.282 -2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.738 8.951 0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.226 9.518 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.748 9.526 1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.906 10.583 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -22.776 8.712 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.326 9.084 -1.460 1.00 0.00 H new ATOM 724 N TYR A 48 -18.111 5.915 -1.085 1.00 0.00 N ATOM 725 CA TYR A 48 -17.157 4.935 -0.584 1.00 0.00 C ATOM 726 C TYR A 48 -15.789 5.183 -1.209 1.00 0.00 C ATOM 727 O TYR A 48 -15.695 5.799 -2.269 1.00 0.00 O ATOM 728 CB TYR A 48 -17.646 3.509 -0.878 1.00 0.00 C ATOM 729 CG TYR A 48 -18.114 3.286 -2.301 1.00 0.00 C ATOM 730 CD1 TYR A 48 -17.276 2.719 -3.253 1.00 0.00 C ATOM 731 CD2 TYR A 48 -19.402 3.637 -2.691 1.00 0.00 C ATOM 732 CE1 TYR A 48 -17.708 2.508 -4.549 1.00 0.00 C ATOM 733 CE2 TYR A 48 -19.838 3.432 -3.983 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.990 2.868 -4.908 1.00 0.00 C ATOM 735 OH TYR A 48 -19.428 2.652 -6.196 1.00 0.00 O ATOM 0 H TYR A 48 -18.029 6.098 -2.085 1.00 0.00 H new ATOM 0 HA TYR A 48 -17.070 5.041 0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.839 2.810 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.465 3.272 -0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.271 2.438 -2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -20.073 4.078 -1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.045 2.064 -5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.841 3.713 -4.268 1.00 0.00 H new ATOM 0 HH TYR A 48 -20.354 2.961 -6.283 1.00 0.00 H new ATOM 745 N CYS A 49 -14.736 4.719 -0.558 1.00 0.00 N ATOM 746 CA CYS A 49 -13.383 5.016 -0.999 1.00 0.00 C ATOM 747 C CYS A 49 -12.517 3.758 -1.031 1.00 0.00 C ATOM 748 O CYS A 49 -12.609 2.899 -0.151 1.00 0.00 O ATOM 749 CB CYS A 49 -12.758 6.062 -0.074 1.00 0.00 C ATOM 750 SG CYS A 49 -11.156 6.687 -0.627 1.00 0.00 S ATOM 0 H CYS A 49 -14.791 4.136 0.277 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.434 5.410 -2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.447 6.901 0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.642 5.628 0.919 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.723 7.577 0.216 1.00 0.00 H new ATOM 756 N PHE A 50 -11.696 3.658 -2.068 1.00 0.00 N ATOM 757 CA PHE A 50 -10.736 2.571 -2.207 1.00 0.00 C ATOM 758 C PHE A 50 -9.328 3.070 -1.903 1.00 0.00 C ATOM 759 O PHE A 50 -8.800 3.920 -2.624 1.00 0.00 O ATOM 760 CB PHE A 50 -10.770 1.999 -3.628 1.00 0.00 C ATOM 761 CG PHE A 50 -12.031 1.263 -3.960 1.00 0.00 C ATOM 762 CD1 PHE A 50 -13.072 1.899 -4.612 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.172 -0.071 -3.617 1.00 0.00 C ATOM 764 CE1 PHE A 50 -14.231 1.217 -4.923 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.326 -0.758 -3.925 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.360 -0.114 -4.576 1.00 0.00 C ATOM 0 H PHE A 50 -11.677 4.328 -2.837 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.007 1.788 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.640 2.814 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.923 1.325 -3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.977 2.941 -4.881 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.369 -0.578 -3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -15.035 1.723 -5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.422 -1.800 -3.657 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.267 -0.650 -4.813 1.00 0.00 H new ATOM 776 N VAL A 51 -8.728 2.567 -0.835 1.00 0.00 N ATOM 777 CA VAL A 51 -7.355 2.927 -0.502 1.00 0.00 C ATOM 778 C VAL A 51 -6.431 1.722 -0.635 1.00 0.00 C ATOM 779 O VAL A 51 -6.753 0.626 -0.169 1.00 0.00 O ATOM 780 CB VAL A 51 -7.230 3.524 0.918 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.877 4.896 0.980 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.846 2.602 1.958 1.00 0.00 C ATOM 0 H VAL A 51 -9.165 1.912 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.054 3.696 -1.214 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.169 3.628 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.779 5.300 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.384 5.563 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.933 4.812 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.743 3.049 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.903 2.456 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.335 1.640 1.939 1.00 0.00 H new ATOM 792 N GLU A 52 -5.292 1.923 -1.285 1.00 0.00 N ATOM 793 CA GLU A 52 -4.343 0.842 -1.513 1.00 0.00 C ATOM 794 C GLU A 52 -3.095 1.013 -0.651 1.00 0.00 C ATOM 795 O GLU A 52 -2.499 2.093 -0.606 1.00 0.00 O ATOM 796 CB GLU A 52 -3.951 0.776 -2.989 1.00 0.00 C ATOM 797 CG GLU A 52 -5.089 0.366 -3.911 1.00 0.00 C ATOM 798 CD GLU A 52 -4.657 0.272 -5.360 1.00 0.00 C ATOM 799 OE1 GLU A 52 -3.826 -0.603 -5.685 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.149 1.067 -6.184 1.00 0.00 O ATOM 0 H GLU A 52 -5.003 2.825 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.829 -0.092 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.578 1.752 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.129 0.069 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.483 -0.598 -3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.901 1.088 -3.824 1.00 0.00 H new ATOM 807 N PHE A 53 -2.721 -0.055 0.038 1.00 0.00 N ATOM 808 CA PHE A 53 -1.524 -0.066 0.870 1.00 0.00 C ATOM 809 C PHE A 53 -0.411 -0.858 0.195 1.00 0.00 C ATOM 810 O PHE A 53 -0.667 -1.706 -0.659 1.00 0.00 O ATOM 811 CB PHE A 53 -1.824 -0.690 2.237 1.00 0.00 C ATOM 812 CG PHE A 53 -2.476 0.240 3.223 1.00 0.00 C ATOM 813 CD1 PHE A 53 -2.000 0.325 4.522 1.00 0.00 C ATOM 814 CD2 PHE A 53 -3.554 1.029 2.857 1.00 0.00 C ATOM 815 CE1 PHE A 53 -2.590 1.173 5.436 1.00 0.00 C ATOM 816 CE2 PHE A 53 -4.146 1.879 3.768 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.661 1.951 5.060 1.00 0.00 C ATOM 0 H PHE A 53 -3.235 -0.936 0.037 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.202 0.966 1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.471 -1.555 2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.892 -1.057 2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.157 -0.280 4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.935 0.978 1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.212 1.226 6.446 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.988 2.488 3.472 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.122 2.617 5.774 1.00 0.00 H new ATOM 827 N HIS A 54 0.826 -0.573 0.587 1.00 0.00 N ATOM 828 CA HIS A 54 1.978 -1.306 0.069 1.00 0.00 C ATOM 829 C HIS A 54 2.224 -2.562 0.889 1.00 0.00 C ATOM 830 O HIS A 54 3.028 -3.414 0.511 1.00 0.00 O ATOM 831 CB HIS A 54 3.243 -0.446 0.106 1.00 0.00 C ATOM 832 CG HIS A 54 3.192 0.771 -0.772 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.226 0.711 -2.147 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.118 2.086 -0.458 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.182 1.933 -2.640 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.113 2.785 -1.636 1.00 0.00 N ATOM 0 H HIS A 54 1.058 0.158 1.260 1.00 0.00 H new ATOM 0 HA HIS A 54 1.753 -1.573 -0.964 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.423 -0.130 1.134 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.093 -1.059 -0.193 1.00 0.00 H new ATOM 0 HD1 HIS A 54 3.277 -0.146 -2.698 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.072 2.506 0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.200 2.192 -3.688 1.00 0.00 H new ATOM 845 N GLU A 55 1.537 -2.665 2.016 1.00 0.00 N ATOM 846 CA GLU A 55 1.758 -3.763 2.937 1.00 0.00 C ATOM 847 C GLU A 55 0.437 -4.300 3.440 1.00 0.00 C ATOM 848 O GLU A 55 -0.342 -3.578 4.066 1.00 0.00 O ATOM 849 CB GLU A 55 2.601 -3.291 4.115 1.00 0.00 C ATOM 850 CG GLU A 55 3.792 -4.172 4.405 1.00 0.00 C ATOM 851 CD GLU A 55 3.402 -5.419 5.167 1.00 0.00 C ATOM 852 OE1 GLU A 55 2.635 -6.240 4.621 1.00 0.00 O ATOM 853 OE2 GLU A 55 3.841 -5.567 6.324 1.00 0.00 O ATOM 0 H GLU A 55 0.822 -2.000 2.313 1.00 0.00 H new ATOM 0 HA GLU A 55 2.286 -4.558 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.950 -2.278 3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.972 -3.243 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.271 -4.455 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.527 -3.610 4.981 1.00 0.00 H new ATOM 860 N HIS A 56 0.203 -5.574 3.175 1.00 0.00 N ATOM 861 CA HIS A 56 -1.034 -6.226 3.554 1.00 0.00 C ATOM 862 C HIS A 56 -1.144 -6.365 5.068 1.00 0.00 C ATOM 863 O HIS A 56 -2.248 -6.376 5.613 1.00 0.00 O ATOM 864 CB HIS A 56 -1.125 -7.602 2.886 1.00 0.00 C ATOM 865 CG HIS A 56 -2.355 -8.374 3.260 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.631 -7.918 3.011 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.499 -9.569 3.883 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.502 -8.794 3.462 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.848 -9.808 3.993 1.00 0.00 N ATOM 0 H HIS A 56 0.865 -6.182 2.692 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.864 -5.606 3.214 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.103 -7.473 1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.245 -8.186 3.155 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.864 -7.039 2.549 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.703 -10.213 4.228 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.576 -8.698 3.406 1.00 0.00 H new ATOM 878 N ARG A 57 -0.004 -6.445 5.743 1.00 0.00 N ATOM 879 CA ARG A 57 0.008 -6.688 7.179 1.00 0.00 C ATOM 880 C ARG A 57 -0.638 -5.536 7.946 1.00 0.00 C ATOM 881 O ARG A 57 -1.539 -5.752 8.758 1.00 0.00 O ATOM 882 CB ARG A 57 1.435 -6.927 7.668 1.00 0.00 C ATOM 883 CG ARG A 57 1.548 -7.085 9.174 1.00 0.00 C ATOM 884 CD ARG A 57 2.993 -7.232 9.602 1.00 0.00 C ATOM 885 NE ARG A 57 3.133 -7.227 11.055 1.00 0.00 N ATOM 886 CZ ARG A 57 4.237 -6.853 11.693 1.00 0.00 C ATOM 887 NH1 ARG A 57 5.303 -6.444 11.011 1.00 0.00 N ATOM 888 NH2 ARG A 57 4.267 -6.881 13.018 1.00 0.00 N ATOM 0 H ARG A 57 0.919 -6.346 5.321 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.582 -7.584 7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.829 -7.823 7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.062 -6.094 7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.106 -6.219 9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.980 -7.959 9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.398 -8.161 9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.582 -6.419 9.178 1.00 0.00 H new ATOM 0 HE ARG A 57 2.335 -7.529 11.614 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.276 -6.416 9.992 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.147 -6.158 11.507 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.446 -7.188 13.540 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.111 -6.596 13.515 1.00 0.00 H new ATOM 902 N HIS A 58 -0.209 -4.308 7.679 1.00 0.00 N ATOM 903 CA HIS A 58 -0.787 -3.167 8.381 1.00 0.00 C ATOM 904 C HIS A 58 -1.975 -2.611 7.616 1.00 0.00 C ATOM 905 O HIS A 58 -2.664 -1.716 8.088 1.00 0.00 O ATOM 906 CB HIS A 58 0.244 -2.079 8.737 1.00 0.00 C ATOM 907 CG HIS A 58 1.062 -1.584 7.600 1.00 0.00 C ATOM 908 ND1 HIS A 58 2.420 -1.393 7.675 1.00 0.00 N ATOM 909 CD2 HIS A 58 0.689 -1.208 6.372 1.00 0.00 C ATOM 910 CE1 HIS A 58 2.855 -0.910 6.530 1.00 0.00 C ATOM 911 NE2 HIS A 58 1.823 -0.787 5.711 1.00 0.00 N ATOM 0 H HIS A 58 0.517 -4.079 7.000 1.00 0.00 H new ATOM 0 HA HIS A 58 -1.147 -3.537 9.341 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -0.283 -1.233 9.180 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.914 -2.473 9.501 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.000 -1.594 8.490 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.314 -1.230 5.972 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.879 -0.657 6.299 1.00 0.00 H new ATOM 920 N ALA A 59 -2.206 -3.131 6.420 1.00 0.00 N ATOM 921 CA ALA A 59 -3.460 -2.874 5.731 1.00 0.00 C ATOM 922 C ALA A 59 -4.603 -3.451 6.559 1.00 0.00 C ATOM 923 O ALA A 59 -5.649 -2.830 6.723 1.00 0.00 O ATOM 924 CB ALA A 59 -3.444 -3.487 4.343 1.00 0.00 C ATOM 0 H ALA A 59 -1.551 -3.726 5.912 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.598 -1.799 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.392 -3.283 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.629 -3.054 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.300 -4.565 4.423 1.00 0.00 H new ATOM 930 N ALA A 60 -4.367 -4.646 7.098 1.00 0.00 N ATOM 931 CA ALA A 60 -5.296 -5.285 8.023 1.00 0.00 C ATOM 932 C ALA A 60 -5.426 -4.471 9.301 1.00 0.00 C ATOM 933 O ALA A 60 -6.497 -4.396 9.902 1.00 0.00 O ATOM 934 CB ALA A 60 -4.807 -6.677 8.363 1.00 0.00 C ATOM 0 H ALA A 60 -3.529 -5.195 6.906 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.272 -5.345 7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.505 -7.149 9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.740 -7.272 7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.823 -6.614 8.828 1.00 0.00 H new ATOM 940 N ALA A 61 -4.313 -3.888 9.714 1.00 0.00 N ATOM 941 CA ALA A 61 -4.286 -3.008 10.867 1.00 0.00 C ATOM 942 C ALA A 61 -5.265 -1.857 10.671 1.00 0.00 C ATOM 943 O ALA A 61 -6.088 -1.572 11.539 1.00 0.00 O ATOM 944 CB ALA A 61 -2.874 -2.490 11.083 1.00 0.00 C ATOM 0 H ALA A 61 -3.407 -4.011 9.261 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.590 -3.564 11.754 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.857 -1.829 11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.201 -3.330 11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.550 -1.939 10.200 1.00 0.00 H new ATOM 950 N ALA A 62 -5.193 -1.226 9.502 1.00 0.00 N ATOM 951 CA ALA A 62 -6.092 -0.137 9.157 1.00 0.00 C ATOM 952 C ALA A 62 -7.526 -0.636 9.068 1.00 0.00 C ATOM 953 O ALA A 62 -8.454 0.052 9.483 1.00 0.00 O ATOM 954 CB ALA A 62 -5.667 0.501 7.845 1.00 0.00 C ATOM 0 H ALA A 62 -4.515 -1.455 8.775 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.041 0.617 9.942 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.349 1.315 7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.654 0.893 7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.693 -0.246 7.052 1.00 0.00 H new ATOM 960 N LEU A 63 -7.688 -1.838 8.526 1.00 0.00 N ATOM 961 CA LEU A 63 -8.993 -2.484 8.424 1.00 0.00 C ATOM 962 C LEU A 63 -9.687 -2.484 9.785 1.00 0.00 C ATOM 963 O LEU A 63 -10.774 -1.927 9.943 1.00 0.00 O ATOM 964 CB LEU A 63 -8.810 -3.928 7.908 1.00 0.00 C ATOM 965 CG LEU A 63 -10.054 -4.648 7.359 1.00 0.00 C ATOM 966 CD1 LEU A 63 -11.094 -4.896 8.440 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.654 -3.861 6.214 1.00 0.00 C ATOM 0 H LEU A 63 -6.921 -2.392 8.145 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.618 -1.932 7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.056 -3.911 7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.406 -4.528 8.723 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.733 -5.623 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.954 -5.406 8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.662 -5.516 9.225 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.412 -3.944 8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.533 -4.382 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.943 -2.870 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.919 -3.763 5.415 1.00 0.00 H new ATOM 979 N ALA A 64 -9.036 -3.085 10.770 1.00 0.00 N ATOM 980 CA ALA A 64 -9.627 -3.239 12.090 1.00 0.00 C ATOM 981 C ALA A 64 -9.706 -1.909 12.839 1.00 0.00 C ATOM 982 O ALA A 64 -10.688 -1.636 13.531 1.00 0.00 O ATOM 983 CB ALA A 64 -8.836 -4.256 12.899 1.00 0.00 C ATOM 0 H ALA A 64 -8.098 -3.474 10.679 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.648 -3.598 11.957 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.286 -4.365 13.886 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.849 -5.218 12.386 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.806 -3.915 13.005 1.00 0.00 H new ATOM 989 N ALA A 65 -8.678 -1.083 12.698 1.00 0.00 N ATOM 990 CA ALA A 65 -8.596 0.165 13.447 1.00 0.00 C ATOM 991 C ALA A 65 -9.571 1.214 12.926 1.00 0.00 C ATOM 992 O ALA A 65 -10.164 1.962 13.708 1.00 0.00 O ATOM 993 CB ALA A 65 -7.172 0.706 13.420 1.00 0.00 C ATOM 0 H ALA A 65 -7.890 -1.254 12.073 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.877 -0.056 14.477 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.126 1.638 13.983 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.497 -0.023 13.869 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.872 0.890 12.388 1.00 0.00 H new ATOM 999 N MET A 66 -9.751 1.269 11.616 1.00 0.00 N ATOM 1000 CA MET A 66 -10.568 2.315 11.017 1.00 0.00 C ATOM 1001 C MET A 66 -12.038 1.912 10.964 1.00 0.00 C ATOM 1002 O MET A 66 -12.918 2.766 10.963 1.00 0.00 O ATOM 1003 CB MET A 66 -10.062 2.654 9.613 1.00 0.00 C ATOM 1004 CG MET A 66 -10.648 3.937 9.049 1.00 0.00 C ATOM 1005 SD MET A 66 -10.230 5.380 10.052 1.00 0.00 S ATOM 1006 CE MET A 66 -8.440 5.319 9.991 1.00 0.00 C ATOM 0 H MET A 66 -9.347 0.609 10.951 1.00 0.00 H new ATOM 0 HA MET A 66 -10.484 3.201 11.646 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.976 2.741 9.638 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.300 1.829 8.941 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.282 4.085 8.033 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.732 3.842 8.987 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.031 6.252 10.378 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.083 4.487 10.598 1.00 0.00 H new ATOM 0 HE3 MET A 66 -8.116 5.180 8.960 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.310 0.616 10.914 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.690 0.143 10.896 1.00 0.00 C ATOM 1018 C ASN A 67 -14.359 0.425 12.236 1.00 0.00 C ATOM 1019 O ASN A 67 -13.922 -0.075 13.276 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.752 -1.355 10.578 1.00 0.00 C ATOM 1021 CG ASN A 67 -15.175 -1.876 10.453 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.446 -3.042 10.734 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -16.100 -1.019 10.029 1.00 0.00 N ATOM 0 H ASN A 67 -11.605 -0.120 10.885 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.225 0.679 10.112 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.218 -1.546 9.647 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.235 -1.909 11.362 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -17.069 -1.323 9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.841 -0.058 9.805 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.407 1.243 12.207 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.086 1.613 13.430 1.00 0.00 C ATOM 1032 C GLY A 68 -15.578 2.928 13.984 1.00 0.00 C ATOM 1033 O GLY A 68 -15.893 3.297 15.118 1.00 0.00 O ATOM 0 H GLY A 68 -15.796 1.654 11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.157 1.688 13.242 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.947 0.828 14.174 1.00 0.00 H new ATOM 1037 N ARG A 69 -14.773 3.624 13.190 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.198 4.892 13.605 1.00 0.00 C ATOM 1039 C ARG A 69 -15.213 6.013 13.412 1.00 0.00 C ATOM 1040 O ARG A 69 -16.156 5.884 12.632 1.00 0.00 O ATOM 1041 CB ARG A 69 -12.929 5.189 12.799 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.115 6.352 13.338 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.421 5.994 14.641 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.452 4.914 14.473 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.173 4.996 14.842 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -8.693 6.123 15.354 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -8.375 3.949 14.688 1.00 0.00 N ATOM 0 H ARG A 69 -14.504 3.328 12.252 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.935 4.829 14.661 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.303 4.297 12.784 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.207 5.401 11.767 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.371 6.649 12.599 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.767 7.211 13.497 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.915 6.875 15.035 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.167 5.699 15.379 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.773 4.044 14.048 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.303 6.932 15.467 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.714 6.179 15.634 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.740 3.084 14.288 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.396 4.008 14.969 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.011 7.113 14.110 1.00 0.00 N ATOM 1062 CA LYS A 70 -15.918 8.239 14.019 1.00 0.00 C ATOM 1063 C LYS A 70 -15.243 9.374 13.259 1.00 0.00 C ATOM 1064 O LYS A 70 -14.630 10.261 13.854 1.00 0.00 O ATOM 1065 CB LYS A 70 -16.338 8.701 15.416 1.00 0.00 C ATOM 1066 CG LYS A 70 -17.562 9.599 15.416 1.00 0.00 C ATOM 1067 CD LYS A 70 -18.813 8.836 15.008 1.00 0.00 C ATOM 1068 CE LYS A 70 -20.013 9.760 14.889 1.00 0.00 C ATOM 1069 NZ LYS A 70 -21.272 9.011 14.653 1.00 0.00 N ATOM 0 H LYS A 70 -14.226 7.251 14.747 1.00 0.00 H new ATOM 0 HA LYS A 70 -16.815 7.935 13.480 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.540 7.826 16.034 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.507 9.233 15.879 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.702 10.025 16.410 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.403 10.432 14.731 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.641 8.336 14.055 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.022 8.058 15.743 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.108 10.350 15.801 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.850 10.462 14.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.065 9.680 14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.192 8.468 13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.442 8.360 15.446 1.00 0.00 H new ATOM 1083 N ILE A 71 -15.337 9.327 11.941 1.00 0.00 N ATOM 1084 CA ILE A 71 -14.711 10.336 11.103 1.00 0.00 C ATOM 1085 C ILE A 71 -15.697 11.455 10.804 1.00 0.00 C ATOM 1086 O ILE A 71 -16.666 11.252 10.069 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.185 9.739 9.781 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.161 8.632 10.069 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.562 10.828 8.914 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.622 7.961 8.823 1.00 0.00 C ATOM 0 H ILE A 71 -15.840 8.602 11.429 1.00 0.00 H new ATOM 0 HA ILE A 71 -13.859 10.735 11.653 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.024 9.305 9.237 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.329 9.056 10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.624 7.878 10.706 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.196 10.389 7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.312 11.586 8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.732 11.289 9.449 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.905 7.191 9.106 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.444 7.506 8.270 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.129 8.703 8.195 1.00 0.00 H new ATOM 1102 N MET A 72 -15.446 12.620 11.404 1.00 0.00 N ATOM 1103 CA MET A 72 -16.283 13.811 11.230 1.00 0.00 C ATOM 1104 C MET A 72 -17.660 13.623 11.859 1.00 0.00 C ATOM 1105 O MET A 72 -17.940 14.164 12.932 1.00 0.00 O ATOM 1106 CB MET A 72 -16.415 14.194 9.749 1.00 0.00 C ATOM 1107 CG MET A 72 -15.112 14.663 9.125 1.00 0.00 C ATOM 1108 SD MET A 72 -14.408 16.081 9.993 1.00 0.00 S ATOM 1109 CE MET A 72 -12.957 16.417 8.997 1.00 0.00 C ATOM 0 H MET A 72 -14.652 12.766 12.028 1.00 0.00 H new ATOM 0 HA MET A 72 -15.784 14.630 11.748 1.00 0.00 H new ATOM 0 HB2 MET A 72 -16.787 13.334 9.192 1.00 0.00 H new ATOM 0 HB3 MET A 72 -17.160 14.984 9.651 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.394 13.843 9.130 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.286 14.928 8.082 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.665 17.460 9.119 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.139 15.772 9.317 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.183 16.224 7.948 1.00 0.00 H new ATOM 1119 N GLY A 73 -18.507 12.843 11.208 1.00 0.00 N ATOM 1120 CA GLY A 73 -19.837 12.598 11.724 1.00 0.00 C ATOM 1121 C GLY A 73 -20.552 11.502 10.966 1.00 0.00 C ATOM 1122 O GLY A 73 -21.770 11.541 10.805 1.00 0.00 O ATOM 0 H GLY A 73 -18.297 12.373 10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -19.771 12.325 12.777 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -20.421 13.517 11.668 1.00 0.00 H new ATOM 1126 N LYS A 74 -19.801 10.515 10.504 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.372 9.425 9.725 1.00 0.00 C ATOM 1128 C LYS A 74 -19.807 8.089 10.197 1.00 0.00 C ATOM 1129 O LYS A 74 -18.633 8.000 10.561 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.068 9.640 8.237 1.00 0.00 C ATOM 1131 CG LYS A 74 -20.704 8.621 7.305 1.00 0.00 C ATOM 1132 CD LYS A 74 -22.223 8.703 7.312 1.00 0.00 C ATOM 1133 CE LYS A 74 -22.840 7.767 6.279 1.00 0.00 C ATOM 1134 NZ LYS A 74 -22.563 8.211 4.883 1.00 0.00 N ATOM 0 H LYS A 74 -18.795 10.445 10.654 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.453 9.411 9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -20.408 10.635 7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -18.988 9.618 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.338 8.781 6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.395 7.618 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.597 8.449 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.534 9.728 7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.448 6.760 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.917 7.715 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.372 7.381 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.389 8.722 4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.735 8.840 4.877 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.661 7.073 10.223 1.00 0.00 N ATOM 1149 CA GLU A 75 -20.248 5.719 10.571 1.00 0.00 C ATOM 1150 C GLU A 75 -19.489 5.094 9.405 1.00 0.00 C ATOM 1151 O GLU A 75 -20.081 4.780 8.373 1.00 0.00 O ATOM 1152 CB GLU A 75 -21.483 4.877 10.913 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.183 3.428 11.271 1.00 0.00 C ATOM 1154 CD GLU A 75 -20.394 3.283 12.556 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -19.299 2.685 12.522 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -20.877 3.754 13.608 1.00 0.00 O ATOM 0 H GLU A 75 -21.653 7.163 10.005 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.590 5.752 11.439 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -22.004 5.344 11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.165 4.894 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -22.122 2.882 11.365 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.626 2.967 10.456 1.00 0.00 H new ATOM 1163 N VAL A 76 -18.187 4.913 9.571 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.347 4.407 8.494 1.00 0.00 C ATOM 1165 C VAL A 76 -17.199 2.893 8.577 1.00 0.00 C ATOM 1166 O VAL A 76 -17.019 2.319 9.661 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.947 5.052 8.507 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -16.060 6.565 8.398 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -15.186 4.651 9.759 1.00 0.00 C ATOM 0 H VAL A 76 -17.689 5.108 10.440 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.845 4.672 7.561 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.388 4.690 7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.063 7.006 8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.563 6.826 7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.635 6.949 9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.200 5.116 9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.735 4.982 10.640 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.076 3.567 9.786 1.00 0.00 H new ATOM 1179 N LYS A 77 -17.272 2.242 7.431 1.00 0.00 N ATOM 1180 CA LYS A 77 -17.160 0.798 7.375 1.00 0.00 C ATOM 1181 C LYS A 77 -16.040 0.381 6.452 1.00 0.00 C ATOM 1182 O LYS A 77 -16.018 0.748 5.281 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.477 0.193 6.918 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.627 0.561 7.829 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.940 -0.007 7.329 1.00 0.00 C ATOM 1186 CE LYS A 77 -22.069 0.277 8.302 1.00 0.00 C ATOM 1187 NZ LYS A 77 -21.844 -0.381 9.616 1.00 0.00 N ATOM 0 H LYS A 77 -17.409 2.692 6.526 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.929 0.430 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.697 0.531 5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.381 -0.892 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.429 0.189 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.703 1.646 7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.178 0.424 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.842 -1.083 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.163 1.353 8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.011 -0.071 7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.738 -0.413 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.497 -1.350 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.139 0.158 10.158 1.00 0.00 H new ATOM 1201 N VAL A 78 -15.121 -0.399 6.987 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.939 -0.803 6.253 1.00 0.00 C ATOM 1203 C VAL A 78 -13.885 -2.318 6.157 1.00 0.00 C ATOM 1204 O VAL A 78 -13.676 -3.001 7.161 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.650 -0.293 6.932 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.447 -0.492 6.025 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.788 1.167 7.335 1.00 0.00 C ATOM 0 H VAL A 78 -15.172 -0.768 7.936 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.001 -0.365 5.257 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.492 -0.878 7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.550 -0.125 6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.331 -1.553 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.596 0.059 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.866 1.502 7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.979 1.772 6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.617 1.275 8.034 1.00 0.00 H new ATOM 1217 N ASN A 79 -14.097 -2.838 4.962 1.00 0.00 N ATOM 1218 CA ASN A 79 -14.063 -4.276 4.737 1.00 0.00 C ATOM 1219 C ASN A 79 -13.013 -4.623 3.691 1.00 0.00 C ATOM 1220 O ASN A 79 -12.445 -3.738 3.047 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.439 -4.802 4.307 1.00 0.00 C ATOM 1222 CG ASN A 79 -15.917 -4.230 2.985 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -16.569 -3.188 2.946 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -15.609 -4.916 1.895 1.00 0.00 N ATOM 0 H ASN A 79 -14.295 -2.286 4.128 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.797 -4.758 5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.397 -5.888 4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.168 -4.565 5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.915 -4.584 0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.066 -5.776 1.970 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.752 -5.910 3.536 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.748 -6.378 2.595 1.00 0.00 C ATOM 1233 C TRP A 80 -12.224 -6.194 1.158 1.00 0.00 C ATOM 1234 O TRP A 80 -13.336 -6.594 0.812 1.00 0.00 O ATOM 1235 CB TRP A 80 -11.438 -7.858 2.833 1.00 0.00 C ATOM 1236 CG TRP A 80 -11.038 -8.185 4.239 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -10.253 -7.438 5.068 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -11.393 -9.363 4.973 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -10.108 -8.075 6.277 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -10.795 -9.260 6.241 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -12.161 -10.495 4.679 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -10.945 -10.244 7.216 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -12.307 -11.470 5.647 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -11.699 -11.340 6.901 1.00 0.00 C ATOM 0 H TRP A 80 -13.224 -6.653 4.052 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.846 -5.787 2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -12.316 -8.448 2.571 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.637 -8.162 2.159 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -9.811 -6.487 4.812 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -9.575 -7.723 7.072 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -12.631 -10.605 3.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -10.482 -10.144 8.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -12.900 -12.347 5.433 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -11.828 -12.122 7.635 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.391 -5.577 0.333 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.657 -5.516 -1.095 1.00 0.00 C ATOM 1257 C ALA A 81 -10.930 -6.659 -1.790 1.00 0.00 C ATOM 1258 O ALA A 81 -9.725 -6.587 -2.038 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.242 -4.167 -1.668 1.00 0.00 C ATOM 0 H ALA A 81 -10.531 -5.114 0.626 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.728 -5.623 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.451 -4.146 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.802 -3.374 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.175 -4.015 -1.504 1.00 0.00 H new