USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 519 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 40 THR OG1 : rot 180:sc= -0.137 USER MOD Set 1.2: A 75 GLN : amide:sc= 0.248 K(o=0.11,f=-5.7!) USER MOD Set 2.1: A 45 ASN : amide:sc= -2.23 X(o=-4.3,f=-4.1) USER MOD Set 2.2: A 54 HIS : no HE2:sc= -2.11! C(o=-4.3!,f=-4.1!) USER MOD Set 3.1: A 18 TYR OH : rot 2:sc= 1.22 USER MOD Set 3.2: A 28 GLN : amide:sc= -0.545! C(o=0.67!,f=-2.6!) USER MOD Set 4.1: A 7 SER OG : rot -14:sc= 0.888 USER MOD Set 4.2: A 13 ASN : amide:sc= -10.4! C(o=-9.5!,f=-21!) USER MOD Single : A 1 SER N :NH3+ 152:sc= -0.691 (180deg=-1.69!) USER MOD Single : A 1 SER OG : rot -178:sc= -0.415 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.998 F(o=-2.6,f=-1) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.0533 (180deg=-0.421) USER MOD Single : A 24 SER OG : rot 31:sc= 0.481 USER MOD Single : A 27 HIS : no HD1:sc= -0.3 K(o=-0.3,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -46:sc= -1.04 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0637 USER MOD Single : A 36 TYR OH : rot -65:sc= 0.0054 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.87 K(o=-1.9,f=-2.6) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.013) USER MOD Single : A 50 SER OG : rot -59:sc= 0.56 USER MOD Single : A 55 THR OG1 : rot 126:sc= 0.501 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.788 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0258 F(o=-0.93,f=-0.026) USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= 0.548 (180deg=0.217) USER MOD Single : A 71 SER OG : rot -127:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.033 -5.399 0.597 1.00 0.00 N ATOM 2 CA SER A 1 -9.251 -4.193 0.971 1.00 0.00 C ATOM 3 C SER A 1 -7.841 -4.660 1.363 1.00 0.00 C ATOM 4 O SER A 1 -7.573 -4.934 2.519 1.00 0.00 O ATOM 5 CB SER A 1 -9.955 -3.502 2.145 1.00 0.00 C ATOM 6 OG SER A 1 -9.236 -2.292 2.334 1.00 0.00 O ATOM 0 H1 SER A 1 -11.042 -5.230 0.784 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.897 -5.601 -0.414 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.708 -6.211 1.159 1.00 0.00 H new ATOM 0 HA SER A 1 -9.179 -3.481 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.004 -3.309 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.931 -4.121 3.042 1.00 0.00 H new ATOM 0 HG SER A 1 -9.612 -1.804 3.096 1.00 0.00 H new ATOM 11 N ALA A 2 -6.978 -4.742 0.379 1.00 0.00 N ATOM 12 CA ALA A 2 -5.575 -5.189 0.648 1.00 0.00 C ATOM 13 C ALA A 2 -4.549 -4.528 -0.275 1.00 0.00 C ATOM 14 O ALA A 2 -4.660 -4.615 -1.484 1.00 0.00 O ATOM 15 CB ALA A 2 -5.507 -6.714 0.476 1.00 0.00 C ATOM 0 H ALA A 2 -7.183 -4.520 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.322 -4.891 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.490 -7.057 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.190 -7.190 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.792 -6.978 -0.542 1.00 0.00 H new ATOM 21 N PHE A 3 -3.583 -3.886 0.338 1.00 0.00 N ATOM 22 CA PHE A 3 -2.508 -3.199 -0.430 1.00 0.00 C ATOM 23 C PHE A 3 -1.368 -4.214 -0.658 1.00 0.00 C ATOM 24 O PHE A 3 -0.615 -4.509 0.250 1.00 0.00 O ATOM 25 CB PHE A 3 -2.072 -2.003 0.408 1.00 0.00 C ATOM 26 CG PHE A 3 -1.088 -1.088 -0.340 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.532 -0.263 -1.359 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.249 -1.063 0.008 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.656 0.573 -2.017 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.120 -0.226 -0.654 1.00 0.00 C ATOM 31 CZ PHE A 3 0.673 0.592 -1.663 1.00 0.00 C ATOM 0 H PHE A 3 -3.497 -3.811 1.352 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.831 -2.843 -1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.951 -1.427 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.606 -2.358 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.574 -0.275 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.612 -1.701 0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.013 1.213 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.164 -0.213 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.362 1.247 -2.176 1.00 0.00 H new ATOM 41 N THR A 4 -1.278 -4.713 -1.867 1.00 0.00 N ATOM 42 CA THR A 4 -0.217 -5.716 -2.215 1.00 0.00 C ATOM 43 C THR A 4 0.991 -4.991 -2.805 1.00 0.00 C ATOM 44 O THR A 4 0.821 -4.101 -3.612 1.00 0.00 O ATOM 45 CB THR A 4 -0.788 -6.715 -3.239 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.957 -7.233 -2.619 1.00 0.00 O ATOM 47 CG2 THR A 4 0.122 -7.945 -3.400 1.00 0.00 C ATOM 0 H THR A 4 -1.900 -4.467 -2.637 1.00 0.00 H new ATOM 0 HA THR A 4 0.096 -6.255 -1.321 1.00 0.00 H new ATOM 0 HB THR A 4 -0.923 -6.218 -4.200 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.384 -7.883 -3.216 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.314 -8.627 -4.130 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.107 -7.627 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.219 -8.454 -2.441 1.00 0.00 H new ATOM 55 N VAL A 5 2.176 -5.378 -2.402 1.00 0.00 N ATOM 56 CA VAL A 5 3.408 -4.710 -2.940 1.00 0.00 C ATOM 57 C VAL A 5 4.515 -5.732 -3.216 1.00 0.00 C ATOM 58 O VAL A 5 4.477 -6.842 -2.723 1.00 0.00 O ATOM 59 CB VAL A 5 3.903 -3.651 -1.907 1.00 0.00 C ATOM 60 CG1 VAL A 5 2.766 -2.686 -1.539 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.400 -4.325 -0.616 1.00 0.00 C ATOM 0 H VAL A 5 2.346 -6.124 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 5 3.162 -4.223 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 5 4.724 -3.105 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.129 -1.954 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.421 -2.171 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.940 -3.247 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.739 -3.562 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.587 -4.895 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.227 -4.995 -0.851 1.00 0.00 H new ATOM 71 N TRP A 6 5.469 -5.309 -4.008 1.00 0.00 N ATOM 72 CA TRP A 6 6.623 -6.164 -4.381 1.00 0.00 C ATOM 73 C TRP A 6 7.880 -5.322 -4.070 1.00 0.00 C ATOM 74 O TRP A 6 7.887 -4.131 -4.317 1.00 0.00 O ATOM 75 CB TRP A 6 6.478 -6.501 -5.884 1.00 0.00 C ATOM 76 CG TRP A 6 5.187 -7.285 -6.190 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.111 -8.638 -6.375 1.00 0.00 C ATOM 78 CD2 TRP A 6 3.931 -6.768 -6.327 1.00 0.00 C ATOM 79 NE1 TRP A 6 3.841 -8.866 -6.608 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.052 -7.815 -6.601 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.445 -5.466 -6.246 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.695 -7.561 -6.791 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.091 -5.217 -6.436 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.216 -6.262 -6.707 1.00 0.00 C ATOM 0 H TRP A 6 5.490 -4.376 -4.421 1.00 0.00 H new ATOM 0 HA TRP A 6 6.683 -7.108 -3.839 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.484 -5.577 -6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.340 -7.085 -6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.916 -9.357 -6.338 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.486 -9.806 -6.785 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.120 -4.650 -6.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.017 -8.375 -7.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.717 -4.206 -6.373 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.164 -6.063 -6.852 1.00 0.00 H new ATOM 95 N SER A 7 8.903 -5.956 -3.543 1.00 0.00 N ATOM 96 CA SER A 7 10.176 -5.230 -3.192 1.00 0.00 C ATOM 97 C SER A 7 10.842 -4.444 -4.341 1.00 0.00 C ATOM 98 O SER A 7 11.471 -3.433 -4.098 1.00 0.00 O ATOM 99 CB SER A 7 11.178 -6.260 -2.624 1.00 0.00 C ATOM 100 OG SER A 7 11.365 -7.226 -3.647 1.00 0.00 O ATOM 0 H SER A 7 8.914 -6.955 -3.338 1.00 0.00 H new ATOM 0 HA SER A 7 9.895 -4.468 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.122 -5.782 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.790 -6.722 -1.716 1.00 0.00 H new ATOM 0 HG SER A 7 10.665 -7.124 -4.325 1.00 0.00 H new ATOM 106 N GLY A 8 10.685 -4.927 -5.548 1.00 0.00 N ATOM 107 CA GLY A 8 11.277 -4.260 -6.754 1.00 0.00 C ATOM 108 C GLY A 8 11.793 -5.291 -7.768 1.00 0.00 C ATOM 109 O GLY A 8 12.231 -6.348 -7.359 1.00 0.00 O ATOM 0 H GLY A 8 10.159 -5.776 -5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.526 -3.627 -7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.095 -3.609 -6.447 1.00 0.00 H new ATOM 113 N PRO A 9 11.748 -4.987 -9.051 1.00 0.00 N ATOM 114 CA PRO A 9 11.656 -3.608 -9.642 1.00 0.00 C ATOM 115 C PRO A 9 10.262 -2.988 -9.477 1.00 0.00 C ATOM 116 O PRO A 9 10.099 -1.995 -8.795 1.00 0.00 O ATOM 117 CB PRO A 9 12.047 -3.777 -11.109 1.00 0.00 C ATOM 118 CG PRO A 9 11.840 -5.269 -11.441 1.00 0.00 C ATOM 119 CD PRO A 9 11.782 -6.040 -10.109 1.00 0.00 C ATOM 0 HA PRO A 9 12.317 -2.910 -9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.432 -3.146 -11.751 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.084 -3.482 -11.272 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.919 -5.411 -12.006 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.655 -5.639 -12.062 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.899 -6.677 -10.060 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.650 -6.689 -9.991 1.00 0.00 H new ATOM 127 N GLY A 10 9.307 -3.599 -10.124 1.00 0.00 N ATOM 128 CA GLY A 10 7.900 -3.127 -10.062 1.00 0.00 C ATOM 129 C GLY A 10 7.134 -4.233 -9.352 1.00 0.00 C ATOM 130 O GLY A 10 7.495 -4.635 -8.264 1.00 0.00 O ATOM 0 H GLY A 10 9.450 -4.425 -10.706 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.825 -2.185 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.500 -2.951 -11.061 1.00 0.00 H new ATOM 134 N CYS A 11 6.102 -4.686 -10.007 1.00 0.00 N ATOM 135 CA CYS A 11 5.227 -5.770 -9.474 1.00 0.00 C ATOM 136 C CYS A 11 5.663 -7.083 -10.141 1.00 0.00 C ATOM 137 O CYS A 11 4.970 -7.603 -10.997 1.00 0.00 O ATOM 138 CB CYS A 11 3.804 -5.411 -9.838 1.00 0.00 C ATOM 139 SG CYS A 11 3.526 -5.164 -11.611 1.00 0.00 S ATOM 0 H CYS A 11 5.819 -4.337 -10.923 1.00 0.00 H new ATOM 0 HA CYS A 11 5.301 -5.884 -8.393 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.141 -6.201 -9.485 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.525 -4.500 -9.308 1.00 0.00 H new ATOM 144 N ASN A 12 6.801 -7.592 -9.736 1.00 0.00 N ATOM 145 CA ASN A 12 7.301 -8.870 -10.348 1.00 0.00 C ATOM 146 C ASN A 12 7.914 -9.810 -9.303 1.00 0.00 C ATOM 147 O ASN A 12 7.555 -10.967 -9.196 1.00 0.00 O ATOM 148 CB ASN A 12 8.353 -8.494 -11.418 1.00 0.00 C ATOM 149 CG ASN A 12 7.760 -7.444 -12.375 1.00 0.00 C ATOM 150 OD1 ASN A 12 7.699 -6.201 -11.975 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 7.349 -7.744 -13.479 1.00 0.00 N flip ATOM 0 H ASN A 12 7.401 -7.187 -9.018 1.00 0.00 H new ATOM 0 HA ASN A 12 6.464 -9.408 -10.793 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.249 -8.100 -10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.653 -9.381 -11.976 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.395 -8.713 -13.794 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.958 -7.027 -14.090 1.00 0.00 H new ATOM 158 N ASN A 13 8.834 -9.236 -8.582 1.00 0.00 N ATOM 159 CA ASN A 13 9.609 -9.896 -7.491 1.00 0.00 C ATOM 160 C ASN A 13 8.772 -10.515 -6.332 1.00 0.00 C ATOM 161 O ASN A 13 7.772 -11.165 -6.571 1.00 0.00 O ATOM 162 CB ASN A 13 10.572 -8.812 -7.008 1.00 0.00 C ATOM 163 CG ASN A 13 9.694 -7.672 -6.496 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.390 -7.627 -5.326 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.256 -6.748 -7.313 1.00 0.00 N ATOM 0 H ASN A 13 9.098 -8.260 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 13 10.111 -10.783 -7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.222 -9.190 -6.219 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.218 -8.474 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.662 -5.996 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.508 -6.779 -8.301 1.00 0.00 H new ATOM 172 N ARG A 14 9.203 -10.296 -5.108 1.00 0.00 N ATOM 173 CA ARG A 14 8.492 -10.840 -3.903 1.00 0.00 C ATOM 174 C ARG A 14 7.047 -10.368 -3.831 1.00 0.00 C ATOM 175 O ARG A 14 6.752 -9.232 -4.135 1.00 0.00 O ATOM 176 CB ARG A 14 9.187 -10.390 -2.612 1.00 0.00 C ATOM 177 CG ARG A 14 10.667 -10.758 -2.682 1.00 0.00 C ATOM 178 CD ARG A 14 11.329 -10.598 -1.299 1.00 0.00 C ATOM 179 NE ARG A 14 11.012 -9.235 -0.761 1.00 0.00 N ATOM 180 CZ ARG A 14 10.316 -9.049 0.337 1.00 0.00 C ATOM 181 NH1 ARG A 14 9.858 -10.056 1.034 1.00 0.00 N ATOM 182 NH2 ARG A 14 10.088 -7.821 0.713 1.00 0.00 N ATOM 0 H ARG A 14 10.037 -9.750 -4.890 1.00 0.00 H new ATOM 0 HA ARG A 14 8.518 -11.925 -4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.074 -9.314 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.722 -10.867 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.776 -11.786 -3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.172 -10.122 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.965 -11.366 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.408 -10.729 -1.381 1.00 0.00 H new ATOM 0 HE ARG A 14 11.351 -8.418 -1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.039 -11.012 0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.320 -9.885 1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.447 -7.043 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.551 -7.639 1.561 1.00 0.00 H new ATOM 196 N ALA A 15 6.201 -11.270 -3.419 1.00 0.00 N ATOM 197 CA ALA A 15 4.745 -10.962 -3.297 1.00 0.00 C ATOM 198 C ALA A 15 4.366 -10.639 -1.843 1.00 0.00 C ATOM 199 O ALA A 15 3.883 -11.482 -1.110 1.00 0.00 O ATOM 200 CB ALA A 15 3.966 -12.177 -3.813 1.00 0.00 C ATOM 0 H ALA A 15 6.459 -12.222 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 15 4.499 -10.079 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.896 -11.982 -3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.228 -12.361 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.219 -13.052 -3.215 1.00 0.00 H new ATOM 206 N GLU A 16 4.608 -9.407 -1.474 1.00 0.00 N ATOM 207 CA GLU A 16 4.291 -8.936 -0.087 1.00 0.00 C ATOM 208 C GLU A 16 2.855 -8.394 -0.054 1.00 0.00 C ATOM 209 O GLU A 16 2.276 -8.141 -1.094 1.00 0.00 O ATOM 210 CB GLU A 16 5.294 -7.833 0.306 1.00 0.00 C ATOM 211 CG GLU A 16 6.751 -8.322 0.097 1.00 0.00 C ATOM 212 CD GLU A 16 6.978 -9.656 0.825 1.00 0.00 C ATOM 213 OE1 GLU A 16 7.102 -9.599 2.038 1.00 0.00 O ATOM 214 OE2 GLU A 16 7.015 -10.656 0.125 1.00 0.00 O ATOM 0 H GLU A 16 5.017 -8.697 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 16 4.371 -9.760 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.115 -6.940 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.145 -7.552 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.952 -8.443 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.450 -7.573 0.470 1.00 0.00 H new ATOM 221 N ARG A 17 2.318 -8.225 1.131 1.00 0.00 N ATOM 222 CA ARG A 17 0.917 -7.705 1.259 1.00 0.00 C ATOM 223 C ARG A 17 0.692 -6.948 2.578 1.00 0.00 C ATOM 224 O ARG A 17 1.385 -7.156 3.555 1.00 0.00 O ATOM 225 CB ARG A 17 -0.038 -8.920 1.152 1.00 0.00 C ATOM 226 CG ARG A 17 -1.526 -8.484 1.110 1.00 0.00 C ATOM 227 CD ARG A 17 -2.419 -9.737 1.018 1.00 0.00 C ATOM 228 NE ARG A 17 -2.098 -10.467 -0.250 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.404 -11.731 -0.412 1.00 0.00 C ATOM 230 NH1 ARG A 17 -3.006 -12.400 0.534 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.090 -12.299 -1.544 1.00 0.00 N ATOM 0 H ARG A 17 2.788 -8.424 2.014 1.00 0.00 H new ATOM 0 HA ARG A 17 0.724 -6.984 0.465 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.199 -9.490 0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.122 -9.584 2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.775 -7.910 2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.703 -7.833 0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.251 -10.384 1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.471 -9.453 1.034 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.630 -9.968 -1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.244 -11.939 1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.238 -13.383 0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.620 -11.761 -2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.315 -13.281 -1.701 1.00 0.00 H new ATOM 245 N TYR A 18 -0.294 -6.085 2.534 1.00 0.00 N ATOM 246 CA TYR A 18 -0.692 -5.240 3.700 1.00 0.00 C ATOM 247 C TYR A 18 -2.229 -5.196 3.707 1.00 0.00 C ATOM 248 O TYR A 18 -2.848 -4.181 3.444 1.00 0.00 O ATOM 249 CB TYR A 18 -0.081 -3.824 3.521 1.00 0.00 C ATOM 250 CG TYR A 18 1.442 -3.902 3.713 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.280 -4.241 2.667 1.00 0.00 C ATOM 252 CD2 TYR A 18 1.995 -3.636 4.950 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.642 -4.313 2.861 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.356 -3.708 5.141 1.00 0.00 C ATOM 255 CZ TYR A 18 4.192 -4.047 4.099 1.00 0.00 C ATOM 256 OH TYR A 18 5.557 -4.118 4.295 1.00 0.00 O ATOM 0 H TYR A 18 -0.861 -5.927 1.701 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.331 -5.639 4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.315 -3.437 2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.516 -3.133 4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.865 -4.451 1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.353 -3.369 5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.286 -4.580 2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.772 -3.497 6.115 1.00 0.00 H new ATOM 0 HH TYR A 18 5.998 -4.339 3.448 1.00 0.00 H new ATOM 266 N SER A 19 -2.785 -6.342 4.016 1.00 0.00 N ATOM 267 CA SER A 19 -4.271 -6.508 4.075 1.00 0.00 C ATOM 268 C SER A 19 -4.835 -6.226 5.475 1.00 0.00 C ATOM 269 O SER A 19 -6.020 -5.986 5.608 1.00 0.00 O ATOM 270 CB SER A 19 -4.603 -7.945 3.643 1.00 0.00 C ATOM 271 OG SER A 19 -6.023 -8.011 3.648 1.00 0.00 O ATOM 0 H SER A 19 -2.259 -7.188 4.235 1.00 0.00 H new ATOM 0 HA SER A 19 -4.735 -5.783 3.406 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.201 -8.163 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.171 -8.673 4.330 1.00 0.00 H new ATOM 0 HG SER A 19 -6.310 -8.908 3.378 1.00 0.00 H new ATOM 277 N LYS A 20 -3.985 -6.261 6.473 1.00 0.00 N ATOM 278 CA LYS A 20 -4.447 -5.999 7.870 1.00 0.00 C ATOM 279 C LYS A 20 -5.125 -4.628 7.993 1.00 0.00 C ATOM 280 O LYS A 20 -4.592 -3.620 7.568 1.00 0.00 O ATOM 281 CB LYS A 20 -3.229 -6.077 8.822 1.00 0.00 C ATOM 282 CG LYS A 20 -3.023 -7.526 9.337 1.00 0.00 C ATOM 283 CD LYS A 20 -2.686 -8.514 8.193 1.00 0.00 C ATOM 284 CE LYS A 20 -2.607 -9.947 8.760 1.00 0.00 C ATOM 285 NZ LYS A 20 -1.571 -10.039 9.830 1.00 0.00 N ATOM 0 H LYS A 20 -2.989 -6.460 6.379 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.186 -6.753 8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.333 -5.741 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.378 -5.404 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.218 -7.537 10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.926 -7.860 9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.448 -8.460 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.738 -8.242 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.578 -10.238 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.371 -10.647 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.366 -11.039 10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.702 -9.564 9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.922 -9.578 10.694 1.00 0.00 H new ATOM 299 N CYS A 21 -6.294 -4.659 8.580 1.00 0.00 N ATOM 300 CA CYS A 21 -7.098 -3.426 8.786 1.00 0.00 C ATOM 301 C CYS A 21 -6.382 -2.434 9.716 1.00 0.00 C ATOM 302 O CYS A 21 -6.064 -2.772 10.839 1.00 0.00 O ATOM 303 CB CYS A 21 -8.443 -3.824 9.387 1.00 0.00 C ATOM 304 SG CYS A 21 -9.531 -4.933 8.459 1.00 0.00 S ATOM 0 H CYS A 21 -6.732 -5.510 8.932 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.238 -2.930 7.826 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.246 -4.290 10.353 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.999 -2.907 9.583 1.00 0.00 H new ATOM 309 N GLY A 22 -6.154 -1.244 9.215 1.00 0.00 N ATOM 310 CA GLY A 22 -5.469 -0.186 10.019 1.00 0.00 C ATOM 311 C GLY A 22 -4.063 0.187 9.532 1.00 0.00 C ATOM 312 O GLY A 22 -3.612 -0.202 8.470 1.00 0.00 O ATOM 0 H GLY A 22 -6.417 -0.959 8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.089 0.711 10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.402 -0.523 11.053 1.00 0.00 H new ATOM 316 N CYS A 23 -3.440 0.954 10.387 1.00 0.00 N ATOM 317 CA CYS A 23 -2.054 1.490 10.201 1.00 0.00 C ATOM 318 C CYS A 23 -1.011 0.374 9.978 1.00 0.00 C ATOM 319 O CYS A 23 -0.970 -0.580 10.731 1.00 0.00 O ATOM 320 CB CYS A 23 -1.743 2.300 11.458 1.00 0.00 C ATOM 321 SG CYS A 23 -0.228 3.278 11.568 1.00 0.00 S ATOM 0 H CYS A 23 -3.866 1.250 11.265 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.002 2.106 9.303 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.578 2.982 11.616 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.738 1.603 12.296 1.00 0.00 H new ATOM 326 N SER A 24 -0.205 0.526 8.953 1.00 0.00 N ATOM 327 CA SER A 24 0.851 -0.493 8.636 1.00 0.00 C ATOM 328 C SER A 24 1.944 0.107 7.727 1.00 0.00 C ATOM 329 O SER A 24 1.661 0.552 6.632 1.00 0.00 O ATOM 330 CB SER A 24 0.173 -1.707 7.950 1.00 0.00 C ATOM 331 OG SER A 24 -0.461 -1.183 6.792 1.00 0.00 O ATOM 0 H SER A 24 -0.233 1.321 8.315 1.00 0.00 H new ATOM 0 HA SER A 24 1.337 -0.813 9.558 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.907 -2.468 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.551 -2.179 8.614 1.00 0.00 H new ATOM 0 HG SER A 24 0.047 -0.414 6.461 1.00 0.00 H new ATOM 337 N ALA A 25 3.163 0.096 8.209 1.00 0.00 N ATOM 338 CA ALA A 25 4.318 0.651 7.429 1.00 0.00 C ATOM 339 C ALA A 25 4.847 -0.311 6.352 1.00 0.00 C ATOM 340 O ALA A 25 5.173 -1.450 6.625 1.00 0.00 O ATOM 341 CB ALA A 25 5.460 0.985 8.396 1.00 0.00 C ATOM 0 H ALA A 25 3.412 -0.280 9.124 1.00 0.00 H new ATOM 0 HA ALA A 25 3.953 1.540 6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.304 1.389 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.118 1.723 9.121 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.771 0.080 8.918 1.00 0.00 H new ATOM 347 N ILE A 26 4.906 0.208 5.154 1.00 0.00 N ATOM 348 CA ILE A 26 5.397 -0.557 3.964 1.00 0.00 C ATOM 349 C ILE A 26 6.925 -0.373 3.904 1.00 0.00 C ATOM 350 O ILE A 26 7.441 0.610 4.400 1.00 0.00 O ATOM 351 CB ILE A 26 4.728 0.022 2.699 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.182 -0.064 2.809 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.185 -0.775 1.445 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.568 1.088 1.995 1.00 0.00 C ATOM 0 H ILE A 26 4.624 1.165 4.942 1.00 0.00 H new ATOM 0 HA ILE A 26 5.154 -1.617 4.031 1.00 0.00 H new ATOM 0 HB ILE A 26 5.025 1.067 2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.829 -1.024 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.873 0.003 3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.709 -0.360 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.268 -0.703 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.900 -1.821 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.481 1.042 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.916 2.041 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.871 0.999 0.952 1.00 0.00 H new ATOM 366 N HIS A 27 7.601 -1.320 3.301 1.00 0.00 N ATOM 367 CA HIS A 27 9.094 -1.236 3.187 1.00 0.00 C ATOM 368 C HIS A 27 9.565 -1.683 1.792 1.00 0.00 C ATOM 369 O HIS A 27 10.722 -1.529 1.450 1.00 0.00 O ATOM 370 CB HIS A 27 9.717 -2.135 4.275 1.00 0.00 C ATOM 371 CG HIS A 27 11.233 -1.895 4.376 1.00 0.00 C ATOM 372 ND1 HIS A 27 11.865 -0.863 3.917 1.00 0.00 N ATOM 373 CD2 HIS A 27 12.229 -2.672 4.943 1.00 0.00 C ATOM 374 CE1 HIS A 27 13.131 -0.973 4.167 1.00 0.00 C ATOM 375 NE2 HIS A 27 13.401 -2.083 4.805 1.00 0.00 N ATOM 0 H HIS A 27 7.184 -2.151 2.881 1.00 0.00 H new ATOM 0 HA HIS A 27 9.412 -0.203 3.326 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.246 -1.930 5.237 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.524 -3.182 4.043 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.069 -3.623 5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.872 -0.240 3.884 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.311 -2.417 5.123 1.00 0.00 H new ATOM 383 N GLN A 28 8.653 -2.225 1.026 1.00 0.00 N ATOM 384 CA GLN A 28 8.988 -2.701 -0.349 1.00 0.00 C ATOM 385 C GLN A 28 9.098 -1.513 -1.306 1.00 0.00 C ATOM 386 O GLN A 28 8.101 -0.938 -1.695 1.00 0.00 O ATOM 387 CB GLN A 28 7.884 -3.666 -0.826 1.00 0.00 C ATOM 388 CG GLN A 28 7.974 -5.011 -0.066 1.00 0.00 C ATOM 389 CD GLN A 28 7.665 -4.825 1.428 1.00 0.00 C ATOM 390 OE1 GLN A 28 6.676 -4.228 1.802 1.00 0.00 O ATOM 391 NE2 GLN A 28 8.484 -5.317 2.318 1.00 0.00 N ATOM 0 H GLN A 28 7.679 -2.359 1.299 1.00 0.00 H new ATOM 0 HA GLN A 28 9.947 -3.219 -0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.905 -3.215 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.983 -3.840 -1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.273 -5.724 -0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.972 -5.433 -0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.319 -5.821 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.289 -5.197 3.312 1.00 0.00 H new ATOM 400 N LYS A 29 10.317 -1.185 -1.650 1.00 0.00 N ATOM 401 CA LYS A 29 10.588 -0.050 -2.575 1.00 0.00 C ATOM 402 C LYS A 29 10.596 -0.578 -4.021 1.00 0.00 C ATOM 403 O LYS A 29 11.595 -0.510 -4.713 1.00 0.00 O ATOM 404 CB LYS A 29 11.944 0.551 -2.159 1.00 0.00 C ATOM 405 CG LYS A 29 11.826 1.161 -0.740 1.00 0.00 C ATOM 406 CD LYS A 29 13.173 1.786 -0.330 1.00 0.00 C ATOM 407 CE LYS A 29 13.046 2.378 1.084 1.00 0.00 C ATOM 408 NZ LYS A 29 14.329 3.028 1.477 1.00 0.00 N ATOM 0 H LYS A 29 11.152 -1.669 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 29 9.824 0.726 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.715 -0.220 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.248 1.318 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.043 1.919 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.539 0.390 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.959 1.032 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.457 2.564 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.235 3.106 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.793 1.592 1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.238 3.426 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.093 2.322 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.553 3.789 0.805 1.00 0.00 H new ATOM 422 N GLY A 30 9.461 -1.097 -4.428 1.00 0.00 N ATOM 423 CA GLY A 30 9.315 -1.654 -5.810 1.00 0.00 C ATOM 424 C GLY A 30 7.945 -1.344 -6.412 1.00 0.00 C ATOM 425 O GLY A 30 7.679 -0.213 -6.761 1.00 0.00 O ATOM 0 H GLY A 30 8.620 -1.159 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.094 -1.241 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.463 -2.734 -5.783 1.00 0.00 H new ATOM 429 N GLY A 31 7.127 -2.363 -6.518 1.00 0.00 N ATOM 430 CA GLY A 31 5.750 -2.207 -7.087 1.00 0.00 C ATOM 431 C GLY A 31 4.736 -2.103 -5.948 1.00 0.00 C ATOM 432 O GLY A 31 5.060 -2.394 -4.812 1.00 0.00 O ATOM 0 H GLY A 31 7.359 -3.313 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.702 -1.316 -7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.510 -3.058 -7.725 1.00 0.00 H new ATOM 436 N TYR A 32 3.536 -1.691 -6.282 1.00 0.00 N ATOM 437 CA TYR A 32 2.464 -1.551 -5.239 1.00 0.00 C ATOM 438 C TYR A 32 1.114 -1.893 -5.852 1.00 0.00 C ATOM 439 O TYR A 32 0.980 -1.965 -7.053 1.00 0.00 O ATOM 440 CB TYR A 32 2.434 -0.096 -4.697 1.00 0.00 C ATOM 441 CG TYR A 32 3.856 0.287 -4.289 1.00 0.00 C ATOM 442 CD1 TYR A 32 4.319 0.045 -3.014 1.00 0.00 C ATOM 443 CD2 TYR A 32 4.701 0.858 -5.220 1.00 0.00 C ATOM 444 CE1 TYR A 32 5.611 0.363 -2.675 1.00 0.00 C ATOM 445 CE2 TYR A 32 5.991 1.174 -4.878 1.00 0.00 C ATOM 446 CZ TYR A 32 6.451 0.927 -3.608 1.00 0.00 C ATOM 447 OH TYR A 32 7.753 1.233 -3.286 1.00 0.00 O ATOM 0 H TYR A 32 3.251 -1.445 -7.230 1.00 0.00 H new ATOM 0 HA TYR A 32 2.676 -2.232 -4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.060 0.587 -5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.760 -0.021 -3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.663 -0.397 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.345 1.056 -6.220 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.969 0.170 -1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.648 1.619 -5.611 1.00 0.00 H new ATOM 0 HH TYR A 32 7.777 1.693 -2.421 1.00 0.00 H new ATOM 457 N ASP A 33 0.132 -2.103 -5.027 1.00 0.00 N ATOM 458 CA ASP A 33 -1.219 -2.445 -5.550 1.00 0.00 C ATOM 459 C ASP A 33 -2.212 -2.371 -4.407 1.00 0.00 C ATOM 460 O ASP A 33 -1.828 -2.374 -3.258 1.00 0.00 O ATOM 461 CB ASP A 33 -1.222 -3.895 -6.138 1.00 0.00 C ATOM 462 CG ASP A 33 -2.664 -4.465 -6.243 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.380 -4.034 -7.129 1.00 0.00 O ATOM 464 OD2 ASP A 33 -2.979 -5.305 -5.415 1.00 0.00 O ATOM 0 H ASP A 33 0.204 -2.053 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.490 -1.744 -6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.759 -3.889 -7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.618 -4.546 -5.506 1.00 0.00 H new ATOM 469 N PHE A 34 -3.458 -2.306 -4.786 1.00 0.00 N ATOM 470 CA PHE A 34 -4.564 -2.245 -3.800 1.00 0.00 C ATOM 471 C PHE A 34 -5.643 -3.162 -4.357 1.00 0.00 C ATOM 472 O PHE A 34 -5.690 -3.403 -5.549 1.00 0.00 O ATOM 473 CB PHE A 34 -5.128 -0.820 -3.666 1.00 0.00 C ATOM 474 CG PHE A 34 -6.197 -0.873 -2.554 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.826 -1.181 -1.255 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.532 -0.626 -2.825 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.766 -1.243 -0.252 1.00 0.00 C ATOM 478 CE2 PHE A 34 -8.473 -0.688 -1.817 1.00 0.00 C ATOM 479 CZ PHE A 34 -8.091 -0.996 -0.531 1.00 0.00 C ATOM 0 H PHE A 34 -3.759 -2.293 -5.761 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.218 -2.541 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.338 -0.113 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.564 -0.486 -4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.788 -1.374 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.839 -0.383 -3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.464 -1.486 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.512 -0.494 -2.038 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.829 -1.044 0.257 1.00 0.00 H new ATOM 489 N SER A 35 -6.473 -3.652 -3.476 1.00 0.00 N ATOM 490 CA SER A 35 -7.570 -4.559 -3.914 1.00 0.00 C ATOM 491 C SER A 35 -8.823 -4.269 -3.099 1.00 0.00 C ATOM 492 O SER A 35 -9.009 -4.781 -2.012 1.00 0.00 O ATOM 493 CB SER A 35 -7.105 -6.018 -3.718 1.00 0.00 C ATOM 494 OG SER A 35 -5.940 -6.136 -4.525 1.00 0.00 O ATOM 0 H SER A 35 -6.438 -3.463 -2.474 1.00 0.00 H new ATOM 0 HA SER A 35 -7.806 -4.399 -4.966 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.884 -6.226 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.875 -6.724 -4.028 1.00 0.00 H new ATOM 0 HG SER A 35 -5.581 -7.045 -4.451 1.00 0.00 H new ATOM 500 N TYR A 36 -9.647 -3.435 -3.679 1.00 0.00 N ATOM 501 CA TYR A 36 -10.931 -3.031 -3.036 1.00 0.00 C ATOM 502 C TYR A 36 -11.963 -4.150 -3.232 1.00 0.00 C ATOM 503 O TYR A 36 -11.907 -4.881 -4.202 1.00 0.00 O ATOM 504 CB TYR A 36 -11.446 -1.747 -3.694 1.00 0.00 C ATOM 505 CG TYR A 36 -12.749 -1.306 -3.003 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.710 -0.479 -1.901 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.977 -1.742 -3.466 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.873 -0.095 -1.270 1.00 0.00 C ATOM 509 CE2 TYR A 36 -15.141 -1.357 -2.835 1.00 0.00 C ATOM 510 CZ TYR A 36 -15.096 -0.531 -1.732 1.00 0.00 C ATOM 511 OH TYR A 36 -16.257 -0.145 -1.094 1.00 0.00 O ATOM 0 H TYR A 36 -9.479 -3.009 -4.590 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.772 -2.857 -1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.696 -0.960 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.624 -1.915 -4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.759 -0.129 -1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -14.025 -2.389 -4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.826 0.552 -0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -16.094 -1.705 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.271 -0.517 -0.188 1.00 0.00 H new ATOM 521 N THR A 37 -12.874 -4.233 -2.296 1.00 0.00 N ATOM 522 CA THR A 37 -13.956 -5.268 -2.342 1.00 0.00 C ATOM 523 C THR A 37 -14.935 -5.006 -1.190 1.00 0.00 C ATOM 524 O THR A 37 -16.079 -5.417 -1.241 1.00 0.00 O ATOM 525 CB THR A 37 -13.326 -6.697 -2.216 1.00 0.00 C ATOM 526 OG1 THR A 37 -14.425 -7.598 -2.193 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.604 -6.918 -0.880 1.00 0.00 C ATOM 0 H THR A 37 -12.916 -3.616 -1.485 1.00 0.00 H new ATOM 0 HA THR A 37 -14.491 -5.213 -3.290 1.00 0.00 H new ATOM 0 HB THR A 37 -12.614 -6.832 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.093 -8.517 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.189 -7.926 -0.853 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.798 -6.191 -0.777 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.311 -6.795 -0.060 1.00 0.00 H new ATOM 535 N GLY A 38 -14.439 -4.324 -0.190 1.00 0.00 N ATOM 536 CA GLY A 38 -15.257 -3.984 1.006 1.00 0.00 C ATOM 537 C GLY A 38 -14.816 -2.624 1.537 1.00 0.00 C ATOM 538 O GLY A 38 -15.636 -1.744 1.725 1.00 0.00 O ATOM 0 H GLY A 38 -13.479 -3.982 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.315 -3.961 0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.135 -4.747 1.775 1.00 0.00 H new ATOM 542 N GLN A 39 -13.530 -2.499 1.763 1.00 0.00 N ATOM 543 CA GLN A 39 -12.968 -1.217 2.290 1.00 0.00 C ATOM 544 C GLN A 39 -11.896 -0.588 1.396 1.00 0.00 C ATOM 545 O GLN A 39 -11.286 -1.236 0.568 1.00 0.00 O ATOM 546 CB GLN A 39 -12.348 -1.443 3.688 1.00 0.00 C ATOM 547 CG GLN A 39 -13.404 -1.842 4.750 1.00 0.00 C ATOM 548 CD GLN A 39 -13.910 -3.260 4.521 1.00 0.00 C ATOM 549 OE1 GLN A 39 -15.078 -3.510 4.302 1.00 0.00 O ATOM 550 NE2 GLN A 39 -13.028 -4.213 4.573 1.00 0.00 N ATOM 0 H GLN A 39 -12.842 -3.235 1.604 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.812 -0.528 2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.590 -2.224 3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.842 -0.533 4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.968 -1.765 5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.241 -1.145 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.049 -3.993 4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.314 -5.181 4.429 1.00 0.00 H new ATOM 559 N THR A 40 -11.724 0.689 1.630 1.00 0.00 N ATOM 560 CA THR A 40 -10.745 1.537 0.900 1.00 0.00 C ATOM 561 C THR A 40 -9.389 1.550 1.636 1.00 0.00 C ATOM 562 O THR A 40 -9.127 0.717 2.483 1.00 0.00 O ATOM 563 CB THR A 40 -11.337 2.963 0.811 1.00 0.00 C ATOM 564 OG1 THR A 40 -11.484 3.397 2.158 1.00 0.00 O ATOM 565 CG2 THR A 40 -12.772 2.984 0.256 1.00 0.00 C ATOM 0 H THR A 40 -12.254 1.199 2.337 1.00 0.00 H new ATOM 0 HA THR A 40 -10.567 1.142 -0.100 1.00 0.00 H new ATOM 0 HB THR A 40 -10.688 3.562 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.857 4.303 2.171 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.132 4.012 0.218 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.780 2.559 -0.748 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.422 2.396 0.904 1.00 0.00 H new ATOM 573 N ALA A 41 -8.578 2.511 1.270 1.00 0.00 N ATOM 574 CA ALA A 41 -7.222 2.677 1.881 1.00 0.00 C ATOM 575 C ALA A 41 -6.750 4.134 1.767 1.00 0.00 C ATOM 576 O ALA A 41 -7.418 4.961 1.178 1.00 0.00 O ATOM 577 CB ALA A 41 -6.235 1.760 1.158 1.00 0.00 C ATOM 0 H ALA A 41 -8.804 3.204 0.556 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.274 2.414 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.244 1.874 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.559 0.724 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.197 2.027 0.102 1.00 0.00 H new ATOM 583 N ALA A 42 -5.604 4.390 2.346 1.00 0.00 N ATOM 584 CA ALA A 42 -4.997 5.759 2.328 1.00 0.00 C ATOM 585 C ALA A 42 -3.497 5.623 2.594 1.00 0.00 C ATOM 586 O ALA A 42 -3.105 4.957 3.528 1.00 0.00 O ATOM 587 CB ALA A 42 -5.659 6.615 3.421 1.00 0.00 C ATOM 0 H ALA A 42 -5.050 3.692 2.842 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.153 6.240 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.223 7.614 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.730 6.685 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.494 6.153 4.394 1.00 0.00 H new ATOM 593 N LEU A 43 -2.693 6.259 1.778 1.00 0.00 N ATOM 594 CA LEU A 43 -1.214 6.186 1.947 1.00 0.00 C ATOM 595 C LEU A 43 -0.753 7.337 2.813 1.00 0.00 C ATOM 596 O LEU A 43 -1.389 8.366 2.883 1.00 0.00 O ATOM 597 CB LEU A 43 -0.484 6.291 0.588 1.00 0.00 C ATOM 598 CG LEU A 43 -0.216 4.925 -0.098 1.00 0.00 C ATOM 599 CD1 LEU A 43 0.704 4.024 0.745 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.499 4.179 -0.359 1.00 0.00 C ATOM 0 H LEU A 43 -3.005 6.832 0.994 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.978 5.226 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.077 6.912 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.467 6.802 0.738 1.00 0.00 H new ATOM 0 HG LEU A 43 0.277 5.157 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.863 3.079 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.662 4.522 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.239 3.832 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.275 3.227 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.012 3.997 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.139 4.773 -1.011 1.00 0.00 H new ATOM 612 N TYR A 44 0.366 7.093 3.432 1.00 0.00 N ATOM 613 CA TYR A 44 0.995 8.090 4.342 1.00 0.00 C ATOM 614 C TYR A 44 2.508 8.109 4.123 1.00 0.00 C ATOM 615 O TYR A 44 3.176 7.111 4.300 1.00 0.00 O ATOM 616 CB TYR A 44 0.626 7.676 5.765 1.00 0.00 C ATOM 617 CG TYR A 44 -0.851 7.999 6.026 1.00 0.00 C ATOM 618 CD1 TYR A 44 -1.217 9.231 6.523 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.835 7.065 5.764 1.00 0.00 C ATOM 620 CE1 TYR A 44 -2.542 9.532 6.754 1.00 0.00 C ATOM 621 CE2 TYR A 44 -3.159 7.366 5.995 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.522 8.599 6.491 1.00 0.00 C ATOM 623 OH TYR A 44 -4.850 8.894 6.720 1.00 0.00 O ATOM 0 H TYR A 44 0.886 6.220 3.343 1.00 0.00 H new ATOM 0 HA TYR A 44 0.640 9.102 4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.806 6.610 5.903 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.256 8.201 6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.457 9.969 6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.565 6.094 5.376 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.813 10.502 7.143 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.920 6.629 5.785 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.403 8.122 6.478 1.00 0.00 H new ATOM 633 N ASN A 45 2.995 9.262 3.743 1.00 0.00 N ATOM 634 CA ASN A 45 4.459 9.449 3.484 1.00 0.00 C ATOM 635 C ASN A 45 5.344 9.236 4.718 1.00 0.00 C ATOM 636 O ASN A 45 6.554 9.227 4.597 1.00 0.00 O ATOM 637 CB ASN A 45 4.679 10.869 2.939 1.00 0.00 C ATOM 638 CG ASN A 45 3.929 11.028 1.616 1.00 0.00 C ATOM 639 OD1 ASN A 45 4.493 10.932 0.545 1.00 0.00 O ATOM 640 ND2 ASN A 45 2.652 11.272 1.655 1.00 0.00 N ATOM 0 H ASN A 45 2.431 10.099 3.598 1.00 0.00 H new ATOM 0 HA ASN A 45 4.756 8.686 2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.326 11.606 3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.743 11.053 2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.127 11.382 0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.175 11.353 2.553 1.00 0.00 H new ATOM 647 N GLN A 46 4.723 9.072 5.861 1.00 0.00 N ATOM 648 CA GLN A 46 5.496 8.860 7.124 1.00 0.00 C ATOM 649 C GLN A 46 5.162 7.490 7.720 1.00 0.00 C ATOM 650 O GLN A 46 4.011 7.209 7.999 1.00 0.00 O ATOM 651 CB GLN A 46 5.130 9.943 8.148 1.00 0.00 C ATOM 652 CG GLN A 46 5.123 11.362 7.534 1.00 0.00 C ATOM 653 CD GLN A 46 6.444 11.689 6.839 1.00 0.00 C ATOM 654 OE1 GLN A 46 7.520 11.535 7.384 1.00 0.00 O ATOM 655 NE2 GLN A 46 6.385 12.147 5.622 1.00 0.00 N ATOM 0 H GLN A 46 3.709 9.076 5.973 1.00 0.00 H new ATOM 0 HA GLN A 46 6.560 8.912 6.892 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.146 9.726 8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.840 9.912 8.974 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.306 11.443 6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.934 12.096 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.480 12.275 5.168 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.243 12.378 5.122 1.00 0.00 H new ATOM 664 N ALA A 47 6.187 6.689 7.886 1.00 0.00 N ATOM 665 CA ALA A 47 6.046 5.309 8.463 1.00 0.00 C ATOM 666 C ALA A 47 5.053 5.226 9.635 1.00 0.00 C ATOM 667 O ALA A 47 4.924 6.149 10.418 1.00 0.00 O ATOM 668 CB ALA A 47 7.419 4.825 8.952 1.00 0.00 C ATOM 0 H ALA A 47 7.144 6.940 7.639 1.00 0.00 H new ATOM 0 HA ALA A 47 5.653 4.679 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.323 3.824 9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.116 4.802 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.793 5.505 9.717 1.00 0.00 H new ATOM 674 N GLY A 48 4.387 4.102 9.700 1.00 0.00 N ATOM 675 CA GLY A 48 3.382 3.856 10.778 1.00 0.00 C ATOM 676 C GLY A 48 2.277 4.912 10.742 1.00 0.00 C ATOM 677 O GLY A 48 1.869 5.404 11.776 1.00 0.00 O ATOM 0 H GLY A 48 4.499 3.332 9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.947 2.864 10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.874 3.871 11.750 1.00 0.00 H new ATOM 681 N CYS A 49 1.846 5.214 9.540 1.00 0.00 N ATOM 682 CA CYS A 49 0.766 6.225 9.279 1.00 0.00 C ATOM 683 C CYS A 49 0.934 7.516 10.112 1.00 0.00 C ATOM 684 O CYS A 49 -0.030 8.209 10.377 1.00 0.00 O ATOM 685 CB CYS A 49 -0.595 5.567 9.595 1.00 0.00 C ATOM 686 SG CYS A 49 -0.893 5.171 11.337 1.00 0.00 S ATOM 0 H CYS A 49 2.214 4.783 8.692 1.00 0.00 H new ATOM 0 HA CYS A 49 0.827 6.526 8.233 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.387 6.233 9.252 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.677 4.648 9.014 1.00 0.00 H new ATOM 691 N SER A 50 2.157 7.802 10.495 1.00 0.00 N ATOM 692 CA SER A 50 2.443 9.026 11.312 1.00 0.00 C ATOM 693 C SER A 50 2.681 10.250 10.408 1.00 0.00 C ATOM 694 O SER A 50 3.589 11.031 10.618 1.00 0.00 O ATOM 695 CB SER A 50 3.681 8.708 12.184 1.00 0.00 C ATOM 696 OG SER A 50 3.829 9.834 13.038 1.00 0.00 O ATOM 0 H SER A 50 2.976 7.235 10.275 1.00 0.00 H new ATOM 0 HA SER A 50 1.592 9.279 11.945 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.534 7.793 12.759 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.569 8.559 11.569 1.00 0.00 H new ATOM 0 HG SER A 50 3.945 10.642 12.496 1.00 0.00 H new ATOM 702 N GLY A 51 1.832 10.369 9.418 1.00 0.00 N ATOM 703 CA GLY A 51 1.916 11.496 8.442 1.00 0.00 C ATOM 704 C GLY A 51 0.518 11.933 8.012 1.00 0.00 C ATOM 705 O GLY A 51 -0.449 11.736 8.723 1.00 0.00 O ATOM 0 H GLY A 51 1.068 9.717 9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.444 12.337 8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.492 11.188 7.569 1.00 0.00 H new ATOM 709 N VAL A 52 0.474 12.517 6.841 1.00 0.00 N ATOM 710 CA VAL A 52 -0.811 13.010 6.252 1.00 0.00 C ATOM 711 C VAL A 52 -1.144 12.108 5.055 1.00 0.00 C ATOM 712 O VAL A 52 -0.247 11.585 4.419 1.00 0.00 O ATOM 713 CB VAL A 52 -0.622 14.494 5.813 1.00 0.00 C ATOM 714 CG1 VAL A 52 0.484 14.626 4.732 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.948 15.061 5.258 1.00 0.00 C ATOM 0 H VAL A 52 1.293 12.677 6.255 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.631 12.972 6.970 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.319 15.062 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.591 15.673 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.430 14.260 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.209 14.038 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.802 16.098 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.263 14.472 4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.716 15.013 6.030 1.00 0.00 H new ATOM 725 N ALA A 53 -2.416 11.942 4.776 1.00 0.00 N ATOM 726 CA ALA A 53 -2.799 11.075 3.622 1.00 0.00 C ATOM 727 C ALA A 53 -2.334 11.704 2.307 1.00 0.00 C ATOM 728 O ALA A 53 -2.140 12.903 2.232 1.00 0.00 O ATOM 729 CB ALA A 53 -4.313 10.898 3.575 1.00 0.00 C ATOM 0 H ALA A 53 -3.191 12.362 5.289 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.320 10.105 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.579 10.264 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.654 10.432 4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.790 11.872 3.463 1.00 0.00 H new ATOM 735 N HIS A 54 -2.171 10.872 1.310 1.00 0.00 N ATOM 736 CA HIS A 54 -1.717 11.372 -0.022 1.00 0.00 C ATOM 737 C HIS A 54 -2.440 10.639 -1.159 1.00 0.00 C ATOM 738 O HIS A 54 -2.903 11.274 -2.087 1.00 0.00 O ATOM 739 CB HIS A 54 -0.198 11.158 -0.090 1.00 0.00 C ATOM 740 CG HIS A 54 0.428 11.689 -1.391 1.00 0.00 C ATOM 741 ND1 HIS A 54 -0.204 12.220 -2.385 1.00 0.00 N ATOM 742 CD2 HIS A 54 1.757 11.721 -1.782 1.00 0.00 C ATOM 743 CE1 HIS A 54 0.635 12.553 -3.313 1.00 0.00 C ATOM 744 NE2 HIS A 54 1.867 12.260 -2.979 1.00 0.00 N ATOM 0 H HIS A 54 -2.333 9.866 1.362 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.955 12.429 -0.140 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.271 11.653 0.760 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.018 10.093 0.002 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -1.214 12.357 -2.432 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.584 11.356 -1.190 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.354 13.015 -4.248 1.00 0.00 H new ATOM 752 N THR A 55 -2.524 9.334 -1.061 1.00 0.00 N ATOM 753 CA THR A 55 -3.213 8.542 -2.131 1.00 0.00 C ATOM 754 C THR A 55 -4.112 7.452 -1.541 1.00 0.00 C ATOM 755 O THR A 55 -3.653 6.563 -0.853 1.00 0.00 O ATOM 756 CB THR A 55 -2.133 7.921 -3.035 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.448 9.054 -3.555 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.750 7.225 -4.268 1.00 0.00 C ATOM 0 H THR A 55 -2.147 8.784 -0.289 1.00 0.00 H new ATOM 0 HA THR A 55 -3.860 9.203 -2.708 1.00 0.00 H new ATOM 0 HB THR A 55 -1.536 7.198 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.488 8.966 -3.378 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.956 6.799 -4.881 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.420 6.431 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.310 7.953 -4.854 1.00 0.00 H new ATOM 766 N ARG A 56 -5.380 7.572 -1.844 1.00 0.00 N ATOM 767 CA ARG A 56 -6.405 6.599 -1.357 1.00 0.00 C ATOM 768 C ARG A 56 -6.835 5.681 -2.507 1.00 0.00 C ATOM 769 O ARG A 56 -6.608 5.992 -3.661 1.00 0.00 O ATOM 770 CB ARG A 56 -7.615 7.389 -0.818 1.00 0.00 C ATOM 771 CG ARG A 56 -7.157 8.281 0.357 1.00 0.00 C ATOM 772 CD ARG A 56 -8.355 9.028 0.955 1.00 0.00 C ATOM 773 NE ARG A 56 -7.843 9.890 2.070 1.00 0.00 N ATOM 774 CZ ARG A 56 -7.803 11.200 2.001 1.00 0.00 C ATOM 775 NH1 ARG A 56 -8.215 11.845 0.941 1.00 0.00 N ATOM 776 NH2 ARG A 56 -7.334 11.842 3.035 1.00 0.00 N ATOM 0 H ARG A 56 -5.756 8.323 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.989 5.981 -0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.046 8.002 -1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.394 6.703 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.682 7.669 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.410 8.995 0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.845 9.637 0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.099 8.323 1.327 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.510 9.437 2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.579 11.329 0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.172 12.864 0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.016 11.325 3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.285 12.861 3.024 1.00 0.00 H new ATOM 790 N PHE A 57 -7.443 4.576 -2.151 1.00 0.00 N ATOM 791 CA PHE A 57 -7.916 3.593 -3.177 1.00 0.00 C ATOM 792 C PHE A 57 -9.287 3.036 -2.788 1.00 0.00 C ATOM 793 O PHE A 57 -9.501 2.663 -1.651 1.00 0.00 O ATOM 794 CB PHE A 57 -6.943 2.412 -3.284 1.00 0.00 C ATOM 795 CG PHE A 57 -5.528 2.856 -3.672 1.00 0.00 C ATOM 796 CD1 PHE A 57 -5.273 3.450 -4.896 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.485 2.654 -2.791 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.990 3.836 -5.229 1.00 0.00 C ATOM 799 CE2 PHE A 57 -3.209 3.038 -3.125 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.957 3.628 -4.339 1.00 0.00 C ATOM 0 H PHE A 57 -7.634 4.310 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.975 4.117 -4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.907 1.886 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.315 1.704 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.081 3.612 -5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.673 2.191 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.796 4.300 -6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.400 2.875 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.952 3.929 -4.596 1.00 0.00 H new ATOM 810 N GLY A 58 -10.164 3.004 -3.758 1.00 0.00 N ATOM 811 CA GLY A 58 -11.554 2.487 -3.555 1.00 0.00 C ATOM 812 C GLY A 58 -11.894 1.501 -4.682 1.00 0.00 C ATOM 813 O GLY A 58 -13.042 1.158 -4.885 1.00 0.00 O ATOM 0 H GLY A 58 -9.971 3.323 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.634 1.993 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.265 3.313 -3.551 1.00 0.00 H new ATOM 817 N SER A 59 -10.865 1.079 -5.378 1.00 0.00 N ATOM 818 CA SER A 59 -11.006 0.118 -6.514 1.00 0.00 C ATOM 819 C SER A 59 -9.622 -0.485 -6.806 1.00 0.00 C ATOM 820 O SER A 59 -8.685 0.255 -7.043 1.00 0.00 O ATOM 821 CB SER A 59 -11.531 0.875 -7.748 1.00 0.00 C ATOM 822 OG SER A 59 -11.657 -0.123 -8.753 1.00 0.00 O ATOM 0 H SER A 59 -9.905 1.372 -5.198 1.00 0.00 H new ATOM 0 HA SER A 59 -11.707 -0.679 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.488 1.354 -7.542 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.841 1.661 -8.054 1.00 0.00 H new ATOM 0 HG SER A 59 -11.992 0.285 -9.579 1.00 0.00 H new ATOM 828 N SER A 60 -9.540 -1.796 -6.773 1.00 0.00 N ATOM 829 CA SER A 60 -8.268 -2.538 -7.038 1.00 0.00 C ATOM 830 C SER A 60 -7.395 -1.869 -8.123 1.00 0.00 C ATOM 831 O SER A 60 -7.785 -1.813 -9.274 1.00 0.00 O ATOM 832 CB SER A 60 -8.628 -3.977 -7.477 1.00 0.00 C ATOM 833 OG SER A 60 -9.489 -4.489 -6.466 1.00 0.00 O ATOM 0 H SER A 60 -10.334 -2.402 -6.565 1.00 0.00 H new ATOM 0 HA SER A 60 -7.680 -2.537 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.123 -3.977 -8.448 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.733 -4.591 -7.575 1.00 0.00 H new ATOM 0 HG SER A 60 -9.753 -5.405 -6.694 1.00 0.00 H new ATOM 839 N ALA A 61 -6.247 -1.384 -7.714 1.00 0.00 N ATOM 840 CA ALA A 61 -5.301 -0.703 -8.661 1.00 0.00 C ATOM 841 C ALA A 61 -3.906 -1.348 -8.587 1.00 0.00 C ATOM 842 O ALA A 61 -3.233 -1.224 -7.586 1.00 0.00 O ATOM 843 CB ALA A 61 -5.222 0.785 -8.283 1.00 0.00 C ATOM 0 H ALA A 61 -5.919 -1.431 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.664 -0.808 -9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.539 1.297 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.213 1.233 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.859 0.882 -7.260 1.00 0.00 H new ATOM 849 N ARG A 62 -3.520 -2.012 -9.651 1.00 0.00 N ATOM 850 CA ARG A 62 -2.192 -2.699 -9.733 1.00 0.00 C ATOM 851 C ARG A 62 -1.039 -1.804 -10.219 1.00 0.00 C ATOM 852 O ARG A 62 -0.825 -1.653 -11.408 1.00 0.00 O ATOM 853 CB ARG A 62 -2.363 -3.905 -10.669 1.00 0.00 C ATOM 854 CG ARG A 62 -3.260 -4.979 -10.014 1.00 0.00 C ATOM 855 CD ARG A 62 -3.509 -6.135 -10.995 1.00 0.00 C ATOM 856 NE ARG A 62 -4.238 -5.602 -12.189 1.00 0.00 N ATOM 857 CZ ARG A 62 -4.838 -6.394 -13.040 1.00 0.00 C ATOM 858 NH1 ARG A 62 -4.822 -7.690 -12.873 1.00 0.00 N ATOM 859 NH2 ARG A 62 -5.450 -5.848 -14.056 1.00 0.00 N ATOM 0 H ARG A 62 -4.089 -2.108 -10.492 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.904 -2.995 -8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.804 -3.581 -11.612 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.388 -4.332 -10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.785 -5.357 -9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.210 -4.536 -9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.563 -6.583 -11.299 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.094 -6.919 -10.514 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.268 -4.594 -12.343 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.338 -8.095 -12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.294 -8.297 -13.544 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.450 -4.834 -14.167 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.928 -6.435 -14.739 1.00 0.00 H new ATOM 873 N ALA A 63 -0.332 -1.239 -9.273 1.00 0.00 N ATOM 874 CA ALA A 63 0.826 -0.346 -9.601 1.00 0.00 C ATOM 875 C ALA A 63 2.151 -1.143 -9.685 1.00 0.00 C ATOM 876 O ALA A 63 2.266 -2.229 -9.147 1.00 0.00 O ATOM 877 CB ALA A 63 0.940 0.745 -8.519 1.00 0.00 C ATOM 0 H ALA A 63 -0.508 -1.359 -8.276 1.00 0.00 H new ATOM 0 HA ALA A 63 0.649 0.107 -10.577 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.780 1.400 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.021 1.330 -8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.100 0.278 -7.547 1.00 0.00 H new ATOM 883 N CYS A 64 3.125 -0.588 -10.361 1.00 0.00 N ATOM 884 CA CYS A 64 4.455 -1.275 -10.504 1.00 0.00 C ATOM 885 C CYS A 64 5.546 -0.200 -10.666 1.00 0.00 C ATOM 886 O CYS A 64 6.662 -0.477 -11.062 1.00 0.00 O ATOM 887 CB CYS A 64 4.384 -2.202 -11.739 1.00 0.00 C ATOM 888 SG CYS A 64 2.909 -3.252 -11.821 1.00 0.00 S ATOM 0 H CYS A 64 3.060 0.318 -10.825 1.00 0.00 H new ATOM 0 HA CYS A 64 4.696 -1.877 -9.627 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.426 -1.588 -12.639 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.268 -2.840 -11.747 1.00 0.00 H new ATOM 893 N ASN A 65 5.157 1.006 -10.338 1.00 0.00 N ATOM 894 CA ASN A 65 6.039 2.204 -10.413 1.00 0.00 C ATOM 895 C ASN A 65 6.799 2.354 -9.076 1.00 0.00 C ATOM 896 O ASN A 65 6.427 1.709 -8.116 1.00 0.00 O ATOM 897 CB ASN A 65 5.122 3.402 -10.688 1.00 0.00 C ATOM 898 CG ASN A 65 4.393 3.183 -12.014 1.00 0.00 C ATOM 899 OD1 ASN A 65 3.313 2.452 -12.006 1.00 0.00 O flip ATOM 900 ND2 ASN A 65 4.792 3.666 -13.055 1.00 0.00 N flip ATOM 0 H ASN A 65 4.216 1.214 -10.005 1.00 0.00 H new ATOM 0 HA ASN A 65 6.787 2.125 -11.202 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.402 3.517 -9.878 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.707 4.321 -10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.637 4.238 -13.061 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.282 3.500 -13.923 1.00 0.00 H new ATOM 907 N PRO A 66 7.827 3.181 -9.033 1.00 0.00 N ATOM 908 CA PRO A 66 8.535 3.526 -7.759 1.00 0.00 C ATOM 909 C PRO A 66 7.559 3.954 -6.647 1.00 0.00 C ATOM 910 O PRO A 66 6.407 4.248 -6.912 1.00 0.00 O ATOM 911 CB PRO A 66 9.520 4.640 -8.122 1.00 0.00 C ATOM 912 CG PRO A 66 9.599 4.686 -9.657 1.00 0.00 C ATOM 913 CD PRO A 66 8.422 3.872 -10.218 1.00 0.00 C ATOM 0 HA PRO A 66 9.053 2.659 -7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.183 5.597 -7.724 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.501 4.443 -7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.553 5.716 -10.010 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.547 4.273 -10.002 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.692 4.519 -10.705 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.760 3.154 -10.965 1.00 0.00 H new ATOM 921 N PHE A 67 8.052 3.981 -5.434 1.00 0.00 N ATOM 922 CA PHE A 67 7.193 4.378 -4.274 1.00 0.00 C ATOM 923 C PHE A 67 6.836 5.873 -4.313 1.00 0.00 C ATOM 924 O PHE A 67 7.239 6.600 -5.199 1.00 0.00 O ATOM 925 CB PHE A 67 7.944 4.067 -2.949 1.00 0.00 C ATOM 926 CG PHE A 67 7.011 3.623 -1.785 1.00 0.00 C ATOM 927 CD1 PHE A 67 5.625 3.533 -1.887 1.00 0.00 C ATOM 928 CD2 PHE A 67 7.597 3.295 -0.574 1.00 0.00 C ATOM 929 CE1 PHE A 67 4.864 3.127 -0.813 1.00 0.00 C ATOM 930 CE2 PHE A 67 6.831 2.891 0.498 1.00 0.00 C ATOM 931 CZ PHE A 67 5.464 2.808 0.377 1.00 0.00 C ATOM 0 H PHE A 67 9.015 3.745 -5.196 1.00 0.00 H new ATOM 0 HA PHE A 67 6.266 3.808 -4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.677 3.282 -3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.498 4.954 -2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.141 3.785 -2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.670 3.357 -0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.790 3.060 -0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.305 2.639 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.864 2.492 1.218 1.00 0.00 H new ATOM 941 N GLY A 68 6.075 6.265 -3.326 1.00 0.00 N ATOM 942 CA GLY A 68 5.623 7.679 -3.188 1.00 0.00 C ATOM 943 C GLY A 68 5.185 7.955 -1.744 1.00 0.00 C ATOM 944 O GLY A 68 4.882 9.085 -1.410 1.00 0.00 O ATOM 0 H GLY A 68 5.739 5.645 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.431 8.356 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.795 7.872 -3.870 1.00 0.00 H new ATOM 948 N TRP A 69 5.160 6.921 -0.932 1.00 0.00 N ATOM 949 CA TRP A 69 4.746 7.062 0.505 1.00 0.00 C ATOM 950 C TRP A 69 5.688 6.201 1.378 1.00 0.00 C ATOM 951 O TRP A 69 6.798 5.927 0.963 1.00 0.00 O ATOM 952 CB TRP A 69 3.281 6.592 0.611 1.00 0.00 C ATOM 953 CG TRP A 69 2.475 7.276 -0.507 1.00 0.00 C ATOM 954 CD1 TRP A 69 1.938 8.531 -0.475 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.202 6.729 -1.726 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.384 8.673 -1.656 1.00 0.00 N ATOM 957 CE2 TRP A 69 1.487 7.653 -2.477 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.508 5.486 -2.271 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.088 7.339 -3.771 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.109 5.167 -3.565 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.397 6.095 -4.317 1.00 0.00 C ATOM 0 H TRP A 69 5.412 5.972 -1.208 1.00 0.00 H new ATOM 0 HA TRP A 69 4.816 8.092 0.854 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.222 5.508 0.514 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.869 6.848 1.587 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.963 9.243 0.336 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.899 9.530 -1.922 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.059 4.764 -1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.537 8.061 -4.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.351 4.202 -3.984 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.084 5.852 -5.322 1.00 0.00 H new ATOM 972 N LYS A 70 5.242 5.799 2.549 1.00 0.00 N ATOM 973 CA LYS A 70 6.080 4.964 3.455 1.00 0.00 C ATOM 974 C LYS A 70 5.197 3.902 4.133 1.00 0.00 C ATOM 975 O LYS A 70 5.603 2.767 4.281 1.00 0.00 O ATOM 976 CB LYS A 70 6.724 5.877 4.520 1.00 0.00 C ATOM 977 CG LYS A 70 7.542 5.047 5.512 1.00 0.00 C ATOM 978 CD LYS A 70 8.689 4.263 4.825 1.00 0.00 C ATOM 979 CE LYS A 70 9.404 3.388 5.869 1.00 0.00 C ATOM 980 NZ LYS A 70 8.449 2.402 6.458 1.00 0.00 N ATOM 0 H LYS A 70 4.316 6.022 2.915 1.00 0.00 H new ATOM 0 HA LYS A 70 6.863 4.462 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.366 6.613 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.949 6.430 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.961 5.705 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.883 4.346 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.290 3.641 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.396 4.956 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.239 2.863 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.821 4.016 6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.979 1.672 6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.805 2.891 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.897 1.956 5.697 1.00 0.00 H new ATOM 994 N SER A 71 4.021 4.329 4.518 1.00 0.00 N ATOM 995 CA SER A 71 3.021 3.445 5.198 1.00 0.00 C ATOM 996 C SER A 71 1.637 3.580 4.565 1.00 0.00 C ATOM 997 O SER A 71 1.443 4.356 3.651 1.00 0.00 O ATOM 998 CB SER A 71 2.949 3.825 6.686 1.00 0.00 C ATOM 999 OG SER A 71 2.644 5.211 6.695 1.00 0.00 O ATOM 0 H SER A 71 3.701 5.288 4.384 1.00 0.00 H new ATOM 0 HA SER A 71 3.340 2.409 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.183 3.249 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.894 3.625 7.191 1.00 0.00 H new ATOM 0 HG SER A 71 3.301 5.687 7.244 1.00 0.00 H new ATOM 1005 N ILE A 72 0.723 2.807 5.093 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.686 2.800 4.605 1.00 0.00 C ATOM 1007 C ILE A 72 -1.650 2.430 5.735 1.00 0.00 C ATOM 1008 O ILE A 72 -1.328 1.661 6.619 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.805 1.780 3.434 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.278 1.712 2.945 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.353 0.365 3.895 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.325 1.122 1.547 1.00 0.00 C ATOM 0 H ILE A 72 0.902 2.163 5.864 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.953 3.797 4.254 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.160 2.111 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.870 1.103 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.718 2.709 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.443 -0.334 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.685 0.404 4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.984 0.032 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.359 1.075 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.747 1.749 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.902 0.117 1.562 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.815 3.015 5.641 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.896 2.782 6.639 1.00 0.00 C ATOM 1026 C PHE A 73 -5.097 2.197 5.890 1.00 0.00 C ATOM 1027 O PHE A 73 -5.509 2.725 4.873 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.286 4.115 7.297 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.371 3.856 8.355 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -6.711 3.865 8.006 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -5.023 3.606 9.668 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -7.683 3.628 8.955 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -5.993 3.369 10.618 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.325 3.380 10.262 1.00 0.00 C ATOM 0 H PHE A 73 -3.067 3.661 4.893 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.563 2.097 7.419 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.413 4.576 7.759 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.654 4.812 6.544 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.997 4.059 6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.981 3.596 9.953 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.726 3.637 8.673 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.710 3.175 11.642 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.086 3.195 11.006 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.607 1.120 6.428 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.786 0.424 5.824 1.00 0.00 C ATOM 1046 C ILE A 74 -7.947 0.589 6.820 1.00 0.00 C ATOM 1047 O ILE A 74 -7.714 0.733 8.005 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.429 -1.079 5.623 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -5.084 -1.262 4.849 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -7.575 -1.805 4.881 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -5.122 -0.622 3.448 1.00 0.00 C ATOM 0 H ILE A 74 -5.250 0.684 7.278 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.062 0.837 4.854 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.301 -1.521 6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.272 -0.819 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.864 -2.325 4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.314 -2.855 4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.492 -1.731 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.729 -1.342 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.164 -0.777 2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.915 -1.083 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.314 0.447 3.541 1.00 0.00 H new ATOM 1063 N GLN A 75 -9.162 0.567 6.327 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.344 0.721 7.243 1.00 0.00 C ATOM 1065 C GLN A 75 -10.517 -0.596 8.032 1.00 0.00 C ATOM 1066 O GLN A 75 -9.575 -1.354 8.131 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.613 0.999 6.414 1.00 0.00 C ATOM 1068 CG GLN A 75 -11.400 2.179 5.448 1.00 0.00 C ATOM 1069 CD GLN A 75 -12.718 2.466 4.713 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -13.280 1.615 4.052 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -13.245 3.656 4.801 1.00 0.00 N ATOM 0 H GLN A 75 -9.389 0.450 5.339 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.184 1.554 7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.884 0.107 5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.446 1.218 7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.075 3.062 5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.613 1.942 4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.783 4.379 5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.119 3.864 4.318 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.696 -0.824 8.564 1.00 0.00 N ATOM 1081 CA CYS A 76 -12.046 -2.050 9.361 1.00 0.00 C ATOM 1082 C CYS A 76 -11.100 -2.337 10.553 1.00 0.00 C ATOM 1083 O CYS A 76 -11.139 -3.453 11.048 1.00 0.00 O ATOM 1084 CB CYS A 76 -12.095 -3.269 8.361 1.00 0.00 C ATOM 1085 SG CYS A 76 -10.659 -3.687 7.338 1.00 0.00 S ATOM 1086 OXT CYS A 76 -10.381 -1.420 10.918 1.00 0.00 O ATOM 0 H CYS A 76 -12.474 -0.171 8.472 1.00 0.00 H new ATOM 0 HA CYS A 76 -13.015 -1.880 9.831 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.339 -4.155 8.947 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.931 -3.094 7.684 1.00 0.00 H new TER 1091 CYS A 76