USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 392 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 27 HIS : no HD1:sc= -1.12 K(o=-2,f=-1.3) USER MOD Set 1.2: A 47 THR OG1 : rot -100:sc= -0.841 USER MOD Set 2.1: A 7 ASN : amide:sc= -1.78 K(o=-3.5,f=-4.2) USER MOD Set 2.2: A 53 ASN : amide:sc= -1.73 K(o=-3.5,f=-8.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 6 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.047) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 88:sc= 0.36 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0652 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -5.22 K(o=-5.2,f=-2.7) USER MOD Single : A 29 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.75 K(o=-1.8,f=-3.6) USER MOD Single : A 49 SER OG : rot 180:sc= 0.179 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.047 -2.124 -2.400 1.00 70.45 N ATOM 2 CA GLY A 1 -7.882 -0.729 -2.764 1.00 23.13 C ATOM 3 C GLY A 1 -7.083 0.047 -1.735 1.00 53.02 C ATOM 4 O GLY A 1 -7.367 -0.018 -0.539 1.00 14.24 O ATOM 0 H1 GLY A 1 -8.599 -2.611 -3.134 1.00 70.45 H new ATOM 0 H2 GLY A 1 -7.113 -2.573 -2.314 1.00 70.45 H new ATOM 0 H3 GLY A 1 -8.547 -2.189 -1.490 1.00 70.45 H new ATOM 0 HA2 GLY A 1 -7.383 -0.665 -3.731 1.00 23.13 H new ATOM 0 HA3 GLY A 1 -8.863 -0.268 -2.881 1.00 23.13 H new ATOM 8 N THR A 2 -6.079 0.783 -2.200 1.00 41.45 N ATOM 9 CA THR A 2 -5.235 1.573 -1.313 1.00 22.03 C ATOM 10 C THR A 2 -4.672 2.794 -2.031 1.00 61.12 C ATOM 11 O THR A 2 -3.482 2.869 -2.340 1.00 34.03 O ATOM 12 CB THR A 2 -4.068 0.736 -0.756 1.00 21.04 C ATOM 13 OG1 THR A 2 -4.520 -0.585 -0.438 1.00 72.02 O ATOM 14 CG2 THR A 2 -3.479 1.388 0.486 1.00 21.13 C ATOM 0 H THR A 2 -5.830 0.848 -3.187 1.00 41.45 H new ATOM 0 HA THR A 2 -5.865 1.900 -0.486 1.00 22.03 H new ATOM 0 HB THR A 2 -3.293 0.680 -1.520 1.00 21.04 H new ATOM 0 HG1 THR A 2 -3.772 -1.111 -0.086 1.00 72.02 H new ATOM 0 HG21 THR A 2 -2.657 0.779 0.861 1.00 21.13 H new ATOM 0 HG22 THR A 2 -3.109 2.382 0.234 1.00 21.13 H new ATOM 0 HG23 THR A 2 -4.249 1.471 1.253 1.00 21.13 H new ATOM 22 N PRO A 3 -5.545 3.775 -2.305 1.00 4.25 N ATOM 23 CA PRO A 3 -5.156 5.012 -2.989 1.00 72.11 C ATOM 24 C PRO A 3 -4.276 5.904 -2.120 1.00 62.51 C ATOM 25 O PRO A 3 -4.146 5.681 -0.916 1.00 64.34 O ATOM 26 CB PRO A 3 -6.496 5.696 -3.272 1.00 41.23 C ATOM 27 CG PRO A 3 -7.420 5.166 -2.231 1.00 61.41 C ATOM 28 CD PRO A 3 -6.977 3.753 -1.966 1.00 15.11 C ATOM 0 HA PRO A 3 -4.564 4.815 -3.883 1.00 72.11 H new ATOM 0 HB2 PRO A 3 -6.408 6.781 -3.208 1.00 41.23 H new ATOM 0 HB3 PRO A 3 -6.855 5.464 -4.275 1.00 41.23 H new ATOM 0 HG2 PRO A 3 -7.371 5.767 -1.323 1.00 61.41 H new ATOM 0 HG3 PRO A 3 -8.454 5.193 -2.576 1.00 61.41 H new ATOM 0 HD2 PRO A 3 -7.139 3.469 -0.926 1.00 15.11 H new ATOM 0 HD3 PRO A 3 -7.524 3.038 -2.581 1.00 15.11 H new ATOM 36 N VAL A 4 -3.673 6.915 -2.738 1.00 31.42 N ATOM 37 CA VAL A 4 -2.806 7.841 -2.020 1.00 0.20 C ATOM 38 C VAL A 4 -2.903 9.247 -2.602 1.00 2.14 C ATOM 39 O VAL A 4 -2.863 9.431 -3.817 1.00 53.43 O ATOM 40 CB VAL A 4 -1.337 7.381 -2.061 1.00 23.24 C ATOM 41 CG1 VAL A 4 -0.449 8.362 -1.311 1.00 4.11 C ATOM 42 CG2 VAL A 4 -1.202 5.979 -1.484 1.00 42.45 C ATOM 0 H VAL A 4 -3.769 7.113 -3.734 1.00 31.42 H new ATOM 0 HA VAL A 4 -3.146 7.855 -0.984 1.00 0.20 H new ATOM 0 HB VAL A 4 -1.011 7.355 -3.101 1.00 23.24 H new ATOM 0 HG11 VAL A 4 0.585 8.020 -1.351 1.00 4.11 H new ATOM 0 HG12 VAL A 4 -0.524 9.347 -1.772 1.00 4.11 H new ATOM 0 HG13 VAL A 4 -0.771 8.423 -0.271 1.00 4.11 H new ATOM 0 HG21 VAL A 4 -0.158 5.669 -1.521 1.00 42.45 H new ATOM 0 HG22 VAL A 4 -1.545 5.977 -0.449 1.00 42.45 H new ATOM 0 HG23 VAL A 4 -1.807 5.285 -2.068 1.00 42.45 H new ATOM 52 N GLY A 5 -3.030 10.238 -1.724 1.00 24.44 N ATOM 53 CA GLY A 5 -3.130 11.615 -2.169 1.00 2.22 C ATOM 54 C GLY A 5 -4.516 11.961 -2.676 1.00 44.23 C ATOM 55 O GLY A 5 -5.031 11.311 -3.585 1.00 13.24 O ATOM 0 H GLY A 5 -3.065 10.111 -0.713 1.00 24.44 H new ATOM 0 HA2 GLY A 5 -2.872 12.280 -1.345 1.00 2.22 H new ATOM 0 HA3 GLY A 5 -2.402 11.791 -2.961 1.00 2.22 H new ATOM 59 N ASN A 6 -5.121 12.987 -2.087 1.00 2.30 N ATOM 60 CA ASN A 6 -6.457 13.417 -2.484 1.00 1.14 C ATOM 61 C ASN A 6 -6.532 13.640 -3.991 1.00 65.21 C ATOM 62 O ASN A 6 -7.497 13.240 -4.641 1.00 23.14 O ATOM 63 CB ASN A 6 -6.842 14.702 -1.747 1.00 65.13 C ATOM 64 CG ASN A 6 -6.821 14.533 -0.240 1.00 41.04 C ATOM 65 OD1 ASN A 6 -5.854 14.907 0.424 1.00 32.31 O ATOM 66 ND2 ASN A 6 -7.891 13.967 0.306 1.00 2.31 N ATOM 0 H ASN A 6 -4.708 13.536 -1.333 1.00 2.30 H new ATOM 0 HA ASN A 6 -7.160 12.628 -2.216 1.00 1.14 H new ATOM 0 HB2 ASN A 6 -6.155 15.500 -2.030 1.00 65.13 H new ATOM 0 HB3 ASN A 6 -7.838 15.013 -2.061 1.00 65.13 H new ATOM 0 HD21 ASN A 6 -7.935 13.827 1.315 1.00 2.31 H new ATOM 0 HD22 ASN A 6 -8.669 13.673 -0.284 1.00 2.31 H new ATOM 73 N ASN A 7 -5.505 14.280 -4.541 1.00 2.33 N ATOM 74 CA ASN A 7 -5.454 14.556 -5.972 1.00 3.42 C ATOM 75 C ASN A 7 -5.693 13.285 -6.780 1.00 74.20 C ATOM 76 O ASN A 7 -4.911 12.336 -6.713 1.00 13.22 O ATOM 77 CB ASN A 7 -4.101 15.165 -6.347 1.00 10.11 C ATOM 78 CG ASN A 7 -3.931 16.572 -5.808 1.00 40.51 C ATOM 79 OD1 ASN A 7 -3.332 16.777 -4.752 1.00 34.41 O ATOM 80 ND2 ASN A 7 -4.459 17.551 -6.534 1.00 2.42 N ATOM 0 H ASN A 7 -4.697 14.617 -4.017 1.00 2.33 H new ATOM 0 HA ASN A 7 -6.244 15.269 -6.208 1.00 3.42 H new ATOM 0 HB2 ASN A 7 -3.302 14.532 -5.962 1.00 10.11 H new ATOM 0 HB3 ASN A 7 -4.001 15.180 -7.432 1.00 10.11 H new ATOM 0 HD21 ASN A 7 -4.376 18.519 -6.222 1.00 2.42 H new ATOM 0 HD22 ASN A 7 -4.947 17.335 -7.403 1.00 2.42 H new ATOM 87 N LYS A 8 -6.780 13.272 -7.545 1.00 1.43 N ATOM 88 CA LYS A 8 -7.123 12.119 -8.368 1.00 54.22 C ATOM 89 C LYS A 8 -6.126 11.950 -9.510 1.00 73.21 C ATOM 90 O LYS A 8 -5.957 10.852 -10.042 1.00 42.32 O ATOM 91 CB LYS A 8 -8.538 12.272 -8.931 1.00 33.20 C ATOM 92 CG LYS A 8 -9.631 11.947 -7.927 1.00 24.31 C ATOM 93 CD LYS A 8 -10.930 11.570 -8.619 1.00 22.43 C ATOM 94 CE LYS A 8 -12.139 12.066 -7.842 1.00 35.45 C ATOM 95 NZ LYS A 8 -12.503 13.461 -8.213 1.00 12.22 N ATOM 0 H LYS A 8 -7.439 14.048 -7.612 1.00 1.43 H new ATOM 0 HA LYS A 8 -7.082 11.230 -7.739 1.00 54.22 H new ATOM 0 HB2 LYS A 8 -8.672 13.295 -9.282 1.00 33.20 H new ATOM 0 HB3 LYS A 8 -8.647 11.621 -9.798 1.00 33.20 H new ATOM 0 HG2 LYS A 8 -9.307 11.126 -7.288 1.00 24.31 H new ATOM 0 HG3 LYS A 8 -9.799 12.808 -7.280 1.00 24.31 H new ATOM 0 HD2 LYS A 8 -10.944 11.992 -9.624 1.00 22.43 H new ATOM 0 HD3 LYS A 8 -10.985 10.487 -8.727 1.00 22.43 H new ATOM 0 HE2 LYS A 8 -12.987 11.407 -8.030 1.00 35.45 H new ATOM 0 HE3 LYS A 8 -11.929 12.018 -6.774 1.00 35.45 H new ATOM 0 HZ1 LYS A 8 -13.332 13.762 -7.661 1.00 12.22 H new ATOM 0 HZ2 LYS A 8 -11.703 14.094 -8.010 1.00 12.22 H new ATOM 0 HZ3 LYS A 8 -12.729 13.503 -9.227 1.00 12.22 H new ATOM 109 N CYS A 9 -5.468 13.042 -9.881 1.00 44.44 N ATOM 110 CA CYS A 9 -4.486 13.015 -10.959 1.00 53.22 C ATOM 111 C CYS A 9 -5.072 12.369 -12.212 1.00 3.24 C ATOM 112 O CYS A 9 -4.803 11.204 -12.505 1.00 45.41 O ATOM 113 CB CYS A 9 -3.234 12.255 -10.518 1.00 0.12 C ATOM 114 SG CYS A 9 -2.557 12.803 -8.918 1.00 32.24 S ATOM 0 H CYS A 9 -5.597 13.958 -9.451 1.00 44.44 H new ATOM 0 HA CYS A 9 -4.214 14.044 -11.195 1.00 53.22 H new ATOM 0 HB2 CYS A 9 -3.470 11.193 -10.456 1.00 0.12 H new ATOM 0 HB3 CYS A 9 -2.466 12.367 -11.283 1.00 0.12 H new ATOM 119 N TRP A 10 -5.872 13.134 -12.945 1.00 75.52 N ATOM 120 CA TRP A 10 -6.496 12.636 -14.166 1.00 61.03 C ATOM 121 C TRP A 10 -5.441 12.245 -15.196 1.00 33.35 C ATOM 122 O TRP A 10 -4.251 12.188 -14.887 1.00 52.34 O ATOM 123 CB TRP A 10 -7.431 13.694 -14.753 1.00 54.14 C ATOM 124 CG TRP A 10 -8.842 13.215 -14.918 1.00 21.35 C ATOM 125 CD1 TRP A 10 -9.762 13.022 -13.927 1.00 74.13 C ATOM 126 CD2 TRP A 10 -9.491 12.866 -16.145 1.00 72.00 C ATOM 127 NE1 TRP A 10 -10.945 12.574 -14.465 1.00 41.13 N ATOM 128 CE2 TRP A 10 -10.805 12.471 -15.824 1.00 3.11 C ATOM 129 CE3 TRP A 10 -9.092 12.851 -17.484 1.00 63.20 C ATOM 130 CZ2 TRP A 10 -11.718 12.065 -16.794 1.00 4.23 C ATOM 131 CZ3 TRP A 10 -9.999 12.447 -18.445 1.00 41.42 C ATOM 132 CH2 TRP A 10 -11.300 12.060 -18.097 1.00 24.13 C ATOM 0 H TRP A 10 -6.104 14.100 -12.716 1.00 75.52 H new ATOM 0 HA TRP A 10 -7.076 11.749 -13.912 1.00 61.03 H new ATOM 0 HB2 TRP A 10 -7.426 14.572 -14.107 1.00 54.14 H new ATOM 0 HB3 TRP A 10 -7.047 14.010 -15.723 1.00 54.14 H new ATOM 0 HD1 TRP A 10 -9.586 13.196 -12.876 1.00 74.13 H new ATOM 0 HE1 TRP A 10 -11.790 12.354 -13.938 1.00 41.13 H new ATOM 0 HE3 TRP A 10 -8.092 13.150 -17.763 1.00 63.20 H new ATOM 0 HZ2 TRP A 10 -12.721 11.765 -16.527 1.00 4.23 H new ATOM 0 HZ3 TRP A 10 -9.700 12.429 -19.483 1.00 41.42 H new ATOM 0 HH2 TRP A 10 -11.986 11.752 -18.872 1.00 24.13 H new ATOM 143 N ALA A 11 -5.886 11.975 -16.419 1.00 4.42 N ATOM 144 CA ALA A 11 -4.979 11.592 -17.494 1.00 21.45 C ATOM 145 C ALA A 11 -4.223 12.801 -18.033 1.00 13.53 C ATOM 146 O ALA A 11 -4.830 13.791 -18.444 1.00 11.15 O ATOM 147 CB ALA A 11 -5.748 10.905 -18.613 1.00 3.31 C ATOM 0 H ALA A 11 -6.869 12.014 -16.690 1.00 4.42 H new ATOM 0 HA ALA A 11 -4.248 10.893 -17.087 1.00 21.45 H new ATOM 0 HB1 ALA A 11 -5.059 10.624 -19.409 1.00 3.31 H new ATOM 0 HB2 ALA A 11 -6.236 10.011 -18.224 1.00 3.31 H new ATOM 0 HB3 ALA A 11 -6.501 11.587 -19.009 1.00 3.31 H new ATOM 153 N ILE A 12 -2.897 12.716 -18.028 1.00 34.44 N ATOM 154 CA ILE A 12 -2.060 13.804 -18.517 1.00 30.32 C ATOM 155 C ILE A 12 -2.374 14.127 -19.973 1.00 53.15 C ATOM 156 O ILE A 12 -2.214 13.285 -20.856 1.00 21.12 O ATOM 157 CB ILE A 12 -0.563 13.463 -18.389 1.00 54.45 C ATOM 158 CG1 ILE A 12 -0.239 13.020 -16.962 1.00 24.43 C ATOM 159 CG2 ILE A 12 0.288 14.661 -18.784 1.00 54.12 C ATOM 160 CD1 ILE A 12 1.231 12.745 -16.734 1.00 4.01 C ATOM 0 H ILE A 12 -2.379 11.905 -17.691 1.00 34.44 H new ATOM 0 HA ILE A 12 -2.280 14.675 -17.899 1.00 30.32 H new ATOM 0 HB ILE A 12 -0.333 12.640 -19.065 1.00 54.45 H new ATOM 0 HG12 ILE A 12 -0.568 13.792 -16.267 1.00 24.43 H new ATOM 0 HG13 ILE A 12 -0.809 12.120 -16.731 1.00 24.43 H new ATOM 0 HG21 ILE A 12 1.343 14.405 -18.689 1.00 54.12 H new ATOM 0 HG22 ILE A 12 0.073 14.935 -19.817 1.00 54.12 H new ATOM 0 HG23 ILE A 12 0.058 15.502 -18.130 1.00 54.12 H new ATOM 0 HD11 ILE A 12 1.387 12.436 -15.701 1.00 4.01 H new ATOM 0 HD12 ILE A 12 1.561 11.951 -17.404 1.00 4.01 H new ATOM 0 HD13 ILE A 12 1.805 13.650 -16.933 1.00 4.01 H new ATOM 172 N GLY A 13 -2.822 15.355 -20.218 1.00 43.14 N ATOM 173 CA GLY A 13 -3.150 15.769 -21.570 1.00 42.20 C ATOM 174 C GLY A 13 -4.625 16.070 -21.742 1.00 54.31 C ATOM 175 O GLY A 13 -5.034 16.665 -22.740 1.00 42.12 O ATOM 0 H GLY A 13 -2.964 16.070 -19.505 1.00 43.14 H new ATOM 0 HA2 GLY A 13 -2.569 16.655 -21.826 1.00 42.20 H new ATOM 0 HA3 GLY A 13 -2.859 14.984 -22.268 1.00 42.20 H new ATOM 179 N THR A 14 -5.430 15.657 -20.767 1.00 42.44 N ATOM 180 CA THR A 14 -6.869 15.884 -20.817 1.00 23.44 C ATOM 181 C THR A 14 -7.246 17.180 -20.108 1.00 71.44 C ATOM 182 O THR A 14 -6.399 17.840 -19.505 1.00 72.33 O ATOM 183 CB THR A 14 -7.643 14.717 -20.175 1.00 20.13 C ATOM 184 OG1 THR A 14 -6.805 13.559 -20.093 1.00 61.32 O ATOM 185 CG2 THR A 14 -8.892 14.389 -20.978 1.00 54.55 C ATOM 0 H THR A 14 -5.109 15.164 -19.934 1.00 42.44 H new ATOM 0 HA THR A 14 -7.142 15.957 -21.870 1.00 23.44 H new ATOM 0 HB THR A 14 -7.944 15.019 -19.172 1.00 20.13 H new ATOM 0 HG1 THR A 14 -6.294 13.583 -19.257 1.00 61.32 H new ATOM 0 HG21 THR A 14 -9.422 13.562 -20.505 1.00 54.55 H new ATOM 0 HG22 THR A 14 -9.542 15.263 -21.013 1.00 54.55 H new ATOM 0 HG23 THR A 14 -8.609 14.106 -21.992 1.00 54.55 H new ATOM 193 N THR A 15 -8.524 17.540 -20.184 1.00 64.14 N ATOM 194 CA THR A 15 -9.013 18.758 -19.551 1.00 32.31 C ATOM 195 C THR A 15 -9.019 18.624 -18.032 1.00 63.45 C ATOM 196 O THR A 15 -9.025 17.515 -17.497 1.00 32.12 O ATOM 197 CB THR A 15 -10.435 19.107 -20.029 1.00 51.22 C ATOM 198 OG1 THR A 15 -10.729 18.408 -21.244 1.00 32.45 O ATOM 199 CG2 THR A 15 -10.578 20.605 -20.254 1.00 23.04 C ATOM 0 H THR A 15 -9.238 17.005 -20.678 1.00 64.14 H new ATOM 0 HA THR A 15 -8.333 19.559 -19.840 1.00 32.31 H new ATOM 0 HB THR A 15 -11.139 18.802 -19.255 1.00 51.22 H new ATOM 0 HG1 THR A 15 -11.635 18.634 -21.540 1.00 32.45 H new ATOM 0 HG21 THR A 15 -11.590 20.827 -20.591 1.00 23.04 H new ATOM 0 HG22 THR A 15 -10.382 21.133 -19.321 1.00 23.04 H new ATOM 0 HG23 THR A 15 -9.864 20.929 -21.011 1.00 23.04 H new ATOM 207 N CYS A 16 -9.017 19.759 -17.343 1.00 3.51 N ATOM 208 CA CYS A 16 -9.022 19.770 -15.885 1.00 62.40 C ATOM 209 C CYS A 16 -10.449 19.783 -15.346 1.00 74.21 C ATOM 210 O CYS A 16 -11.391 20.128 -16.061 1.00 25.23 O ATOM 211 CB CYS A 16 -8.255 20.985 -15.360 1.00 15.30 C ATOM 212 SG CYS A 16 -6.561 21.135 -16.012 1.00 71.41 S ATOM 0 H CYS A 16 -9.012 20.685 -17.771 1.00 3.51 H new ATOM 0 HA CYS A 16 -8.530 18.861 -15.538 1.00 62.40 H new ATOM 0 HB2 CYS A 16 -8.811 21.888 -15.612 1.00 15.30 H new ATOM 0 HB3 CYS A 16 -8.211 20.931 -14.272 1.00 15.30 H new ATOM 217 N SER A 17 -10.602 19.405 -14.081 1.00 21.11 N ATOM 218 CA SER A 17 -11.914 19.370 -13.447 1.00 35.34 C ATOM 219 C SER A 17 -11.852 19.949 -12.037 1.00 12.52 C ATOM 220 O SER A 17 -12.812 19.854 -11.271 1.00 62.14 O ATOM 221 CB SER A 17 -12.442 17.935 -13.397 1.00 71.43 C ATOM 222 OG SER A 17 -13.644 17.807 -14.137 1.00 51.40 O ATOM 0 H SER A 17 -9.833 19.119 -13.475 1.00 21.11 H new ATOM 0 HA SER A 17 -12.594 19.980 -14.043 1.00 35.34 H new ATOM 0 HB2 SER A 17 -11.691 17.254 -13.797 1.00 71.43 H new ATOM 0 HB3 SER A 17 -12.616 17.644 -12.361 1.00 71.43 H new ATOM 0 HG SER A 17 -13.960 16.880 -14.091 1.00 51.40 H new ATOM 228 N ASP A 18 -10.716 20.551 -11.701 1.00 32.41 N ATOM 229 CA ASP A 18 -10.527 21.147 -10.384 1.00 13.42 C ATOM 230 C ASP A 18 -10.875 20.152 -9.281 1.00 50.13 C ATOM 231 O ASP A 18 -11.018 18.956 -9.534 1.00 23.41 O ATOM 232 CB ASP A 18 -11.386 22.405 -10.242 1.00 72.02 C ATOM 233 CG ASP A 18 -11.346 23.276 -11.482 1.00 41.22 C ATOM 234 OD1 ASP A 18 -10.232 23.592 -11.950 1.00 64.00 O ATOM 235 OD2 ASP A 18 -12.429 23.642 -11.986 1.00 24.35 O ATOM 0 H ASP A 18 -9.912 20.639 -12.323 1.00 32.41 H new ATOM 0 HA ASP A 18 -9.476 21.420 -10.284 1.00 13.42 H new ATOM 0 HB2 ASP A 18 -12.417 22.116 -10.037 1.00 72.02 H new ATOM 0 HB3 ASP A 18 -11.041 22.982 -9.385 1.00 72.02 H new ATOM 240 N ASP A 19 -11.009 20.654 -8.059 1.00 1.32 N ATOM 241 CA ASP A 19 -11.340 19.809 -6.917 1.00 42.41 C ATOM 242 C ASP A 19 -10.372 18.635 -6.812 1.00 31.14 C ATOM 243 O ASP A 19 -10.789 17.482 -6.694 1.00 4.13 O ATOM 244 CB ASP A 19 -12.775 19.295 -7.036 1.00 32.45 C ATOM 245 CG ASP A 19 -13.417 19.053 -5.683 1.00 61.25 C ATOM 246 OD1 ASP A 19 -13.149 19.839 -4.750 1.00 72.51 O ATOM 247 OD2 ASP A 19 -14.188 18.078 -5.559 1.00 4.42 O ATOM 0 H ASP A 19 -10.894 21.642 -7.833 1.00 1.32 H new ATOM 0 HA ASP A 19 -11.252 20.411 -6.012 1.00 42.41 H new ATOM 0 HB2 ASP A 19 -13.371 20.017 -7.594 1.00 32.45 H new ATOM 0 HB3 ASP A 19 -12.779 18.367 -7.608 1.00 32.45 H new ATOM 252 N CYS A 20 -9.078 18.935 -6.856 1.00 34.00 N ATOM 253 CA CYS A 20 -8.050 17.905 -6.767 1.00 55.01 C ATOM 254 C CYS A 20 -8.114 16.968 -7.970 1.00 44.31 C ATOM 255 O CYS A 20 -7.640 15.833 -7.912 1.00 0.42 O ATOM 256 CB CYS A 20 -8.212 17.104 -5.474 1.00 34.31 C ATOM 257 SG CYS A 20 -6.805 17.251 -4.327 1.00 22.12 S ATOM 0 H CYS A 20 -8.716 19.884 -6.953 1.00 34.00 H new ATOM 0 HA CYS A 20 -7.077 18.397 -6.762 1.00 55.01 H new ATOM 0 HB2 CYS A 20 -9.118 17.435 -4.965 1.00 34.31 H new ATOM 0 HB3 CYS A 20 -8.354 16.053 -5.726 1.00 34.31 H new ATOM 262 N ASP A 21 -8.701 17.452 -9.059 1.00 31.10 N ATOM 263 CA ASP A 21 -8.825 16.659 -10.277 1.00 14.23 C ATOM 264 C ASP A 21 -7.468 16.114 -10.711 1.00 35.32 C ATOM 265 O ASP A 21 -7.271 14.901 -10.790 1.00 34.21 O ATOM 266 CB ASP A 21 -9.433 17.502 -11.399 1.00 71.23 C ATOM 267 CG ASP A 21 -9.149 16.927 -12.773 1.00 51.12 C ATOM 268 OD1 ASP A 21 -9.535 15.766 -13.021 1.00 65.42 O ATOM 269 OD2 ASP A 21 -8.541 17.638 -13.600 1.00 43.41 O ATOM 0 H ASP A 21 -9.098 18.389 -9.124 1.00 31.10 H new ATOM 0 HA ASP A 21 -9.484 15.817 -10.068 1.00 14.23 H new ATOM 0 HB2 ASP A 21 -10.511 17.573 -11.253 1.00 71.23 H new ATOM 0 HB3 ASP A 21 -9.037 18.516 -11.343 1.00 71.23 H new ATOM 274 N CYS A 22 -6.536 17.017 -10.992 1.00 42.43 N ATOM 275 CA CYS A 22 -5.198 16.628 -11.420 1.00 44.12 C ATOM 276 C CYS A 22 -4.259 16.502 -10.223 1.00 72.45 C ATOM 277 O CYS A 22 -4.679 16.638 -9.074 1.00 32.41 O ATOM 278 CB CYS A 22 -4.640 17.649 -12.414 1.00 1.22 C ATOM 279 SG CYS A 22 -5.472 17.641 -14.034 1.00 72.13 S ATOM 0 H CYS A 22 -6.683 18.025 -10.931 1.00 42.43 H new ATOM 0 HA CYS A 22 -5.269 15.656 -11.909 1.00 44.12 H new ATOM 0 HB2 CYS A 22 -4.723 18.645 -11.980 1.00 1.22 H new ATOM 0 HB3 CYS A 22 -3.578 17.453 -12.562 1.00 1.22 H new ATOM 284 N CYS A 23 -2.986 16.241 -10.502 1.00 34.32 N ATOM 285 CA CYS A 23 -1.987 16.095 -9.450 1.00 53.51 C ATOM 286 C CYS A 23 -1.484 17.459 -8.986 1.00 11.23 C ATOM 287 O CYS A 23 -1.645 18.473 -9.666 1.00 33.31 O ATOM 288 CB CYS A 23 -0.814 15.248 -9.946 1.00 43.41 C ATOM 289 SG CYS A 23 -0.818 13.536 -9.325 1.00 22.02 S ATOM 0 H CYS A 23 -2.622 16.126 -11.448 1.00 34.32 H new ATOM 0 HA CYS A 23 -2.456 15.593 -8.604 1.00 53.51 H new ATOM 0 HB2 CYS A 23 -0.830 15.228 -11.036 1.00 43.41 H new ATOM 0 HB3 CYS A 23 0.118 15.729 -9.649 1.00 43.41 H new ATOM 294 N PRO A 24 -0.859 17.487 -7.799 1.00 73.42 N ATOM 295 CA PRO A 24 -0.319 18.719 -7.217 1.00 61.33 C ATOM 296 C PRO A 24 0.897 19.235 -7.980 1.00 15.44 C ATOM 297 O PRO A 24 1.150 20.439 -8.018 1.00 62.22 O ATOM 298 CB PRO A 24 0.078 18.297 -5.800 1.00 41.52 C ATOM 299 CG PRO A 24 0.327 16.832 -5.896 1.00 75.34 C ATOM 300 CD PRO A 24 -0.632 16.317 -6.934 1.00 63.55 C ATOM 0 HA PRO A 24 -1.041 19.535 -7.247 1.00 61.33 H new ATOM 0 HB2 PRO A 24 0.968 18.828 -5.464 1.00 41.52 H new ATOM 0 HB3 PRO A 24 -0.714 18.518 -5.085 1.00 41.52 H new ATOM 0 HG2 PRO A 24 1.359 16.629 -6.183 1.00 75.34 H new ATOM 0 HG3 PRO A 24 0.162 16.344 -4.935 1.00 75.34 H new ATOM 0 HD2 PRO A 24 -0.210 15.481 -7.492 1.00 63.55 H new ATOM 0 HD3 PRO A 24 -1.560 15.964 -6.484 1.00 63.55 H new ATOM 308 N GLU A 25 1.644 18.318 -8.585 1.00 30.52 N ATOM 309 CA GLU A 25 2.833 18.682 -9.346 1.00 2.23 C ATOM 310 C GLU A 25 2.468 19.055 -10.780 1.00 3.43 C ATOM 311 O GLU A 25 3.326 19.460 -11.565 1.00 60.13 O ATOM 312 CB GLU A 25 3.838 17.529 -9.347 1.00 64.44 C ATOM 313 CG GLU A 25 3.240 16.201 -9.780 1.00 62.33 C ATOM 314 CD GLU A 25 3.189 15.188 -8.652 1.00 44.44 C ATOM 315 OE1 GLU A 25 4.253 14.635 -8.303 1.00 13.14 O ATOM 316 OE2 GLU A 25 2.085 14.950 -8.119 1.00 63.14 O ATOM 0 H GLU A 25 1.447 17.317 -8.563 1.00 30.52 H new ATOM 0 HA GLU A 25 3.288 19.550 -8.868 1.00 2.23 H new ATOM 0 HB2 GLU A 25 4.665 17.779 -10.012 1.00 64.44 H new ATOM 0 HB3 GLU A 25 4.255 17.421 -8.346 1.00 64.44 H new ATOM 0 HG2 GLU A 25 2.232 16.367 -10.160 1.00 62.33 H new ATOM 0 HG3 GLU A 25 3.827 15.794 -10.603 1.00 62.33 H new ATOM 323 N HIS A 26 1.189 18.916 -11.114 1.00 63.11 N ATOM 324 CA HIS A 26 0.710 19.238 -12.453 1.00 53.24 C ATOM 325 C HIS A 26 -0.184 20.474 -12.428 1.00 12.35 C ATOM 326 O HIS A 26 -0.562 20.958 -11.360 1.00 5.03 O ATOM 327 CB HIS A 26 -0.056 18.053 -13.043 1.00 2.13 C ATOM 328 CG HIS A 26 0.715 16.769 -13.017 1.00 44.41 C ATOM 329 ND1 HIS A 26 0.146 15.544 -13.292 1.00 63.03 N ATOM 330 CD2 HIS A 26 2.019 16.525 -12.748 1.00 43.24 C ATOM 331 CE1 HIS A 26 1.066 14.601 -13.192 1.00 43.32 C ATOM 332 NE2 HIS A 26 2.212 15.170 -12.864 1.00 0.53 N ATOM 0 H HIS A 26 0.466 18.583 -10.476 1.00 63.11 H new ATOM 0 HA HIS A 26 1.576 19.450 -13.080 1.00 53.24 H new ATOM 0 HB2 HIS A 26 -0.986 17.920 -12.490 1.00 2.13 H new ATOM 0 HB3 HIS A 26 -0.328 18.283 -14.073 1.00 2.13 H new ATOM 0 HD2 HIS A 26 2.768 17.259 -12.490 1.00 43.24 H new ATOM 0 HE1 HIS A 26 0.908 13.545 -13.351 1.00 43.32 H new ATOM 0 HE2 HIS A 26 3.096 14.683 -12.720 1.00 0.53 H new ATOM 340 N HIS A 27 -0.519 20.982 -13.610 1.00 21.52 N ATOM 341 CA HIS A 27 -1.368 22.162 -13.722 1.00 75.25 C ATOM 342 C HIS A 27 -2.145 22.149 -15.036 1.00 32.34 C ATOM 343 O HIS A 27 -2.014 21.223 -15.837 1.00 40.55 O ATOM 344 CB HIS A 27 -0.526 23.434 -13.628 1.00 25.13 C ATOM 345 CG HIS A 27 0.253 23.731 -14.873 1.00 35.15 C ATOM 346 ND1 HIS A 27 0.613 25.008 -15.248 1.00 20.20 N ATOM 347 CD2 HIS A 27 0.741 22.907 -15.829 1.00 51.10 C ATOM 348 CE1 HIS A 27 1.288 24.957 -16.382 1.00 70.25 C ATOM 349 NE2 HIS A 27 1.380 23.693 -16.756 1.00 51.21 N ATOM 0 H HIS A 27 -0.215 20.595 -14.503 1.00 21.52 H new ATOM 0 HA HIS A 27 -2.081 22.146 -12.897 1.00 75.25 H new ATOM 0 HB2 HIS A 27 -1.181 24.278 -13.409 1.00 25.13 H new ATOM 0 HB3 HIS A 27 0.165 23.341 -12.790 1.00 25.13 H new ATOM 0 HD2 HIS A 27 0.646 21.832 -15.858 1.00 51.10 H new ATOM 0 HE1 HIS A 27 1.696 25.804 -16.913 1.00 70.25 H new ATOM 0 HE2 HIS A 27 1.849 23.356 -17.597 1.00 51.21 H new ATOM 357 N CYS A 28 -2.955 23.181 -15.249 1.00 20.53 N ATOM 358 CA CYS A 28 -3.754 23.288 -16.463 1.00 71.13 C ATOM 359 C CYS A 28 -3.064 24.179 -17.492 1.00 3.23 C ATOM 360 O CYS A 28 -3.104 25.406 -17.393 1.00 10.11 O ATOM 361 CB CYS A 28 -5.141 23.845 -16.138 1.00 53.54 C ATOM 362 SG CYS A 28 -6.509 22.949 -16.940 1.00 75.12 S ATOM 0 H CYS A 28 -3.075 23.955 -14.596 1.00 20.53 H new ATOM 0 HA CYS A 28 -3.861 22.289 -16.887 1.00 71.13 H new ATOM 0 HB2 CYS A 28 -5.287 23.819 -15.058 1.00 53.54 H new ATOM 0 HB3 CYS A 28 -5.180 24.892 -16.440 1.00 53.54 H new ATOM 367 N HIS A 29 -2.431 23.553 -18.479 1.00 5.51 N ATOM 368 CA HIS A 29 -1.732 24.289 -19.527 1.00 3.44 C ATOM 369 C HIS A 29 -2.713 24.805 -20.575 1.00 2.41 C ATOM 370 O HIS A 29 -3.375 24.024 -21.259 1.00 1.14 O ATOM 371 CB HIS A 29 -0.680 23.399 -20.190 1.00 12.33 C ATOM 372 CG HIS A 29 0.369 24.165 -20.935 1.00 4.34 C ATOM 373 ND1 HIS A 29 0.877 23.759 -22.151 1.00 15.21 N ATOM 374 CD2 HIS A 29 1.007 25.320 -20.630 1.00 35.15 C ATOM 375 CE1 HIS A 29 1.781 24.630 -22.561 1.00 24.11 C ATOM 376 NE2 HIS A 29 1.879 25.587 -21.656 1.00 31.02 N ATOM 0 H HIS A 29 -2.388 22.538 -18.575 1.00 5.51 H new ATOM 0 HA HIS A 29 -1.236 25.144 -19.067 1.00 3.44 H new ATOM 0 HB2 HIS A 29 -0.199 22.789 -19.426 1.00 12.33 H new ATOM 0 HB3 HIS A 29 -1.176 22.715 -20.878 1.00 12.33 H new ATOM 0 HD2 HIS A 29 0.858 25.920 -19.744 1.00 35.15 H new ATOM 0 HE1 HIS A 29 2.345 24.570 -23.480 1.00 24.11 H new ATOM 0 HE2 HIS A 29 2.501 26.393 -21.711 1.00 31.02 H new ATOM 384 N CYS A 30 -2.802 26.126 -20.696 1.00 21.34 N ATOM 385 CA CYS A 30 -3.703 26.747 -21.659 1.00 65.01 C ATOM 386 C CYS A 30 -3.195 28.127 -22.066 1.00 53.42 C ATOM 387 O CYS A 30 -3.791 29.155 -21.744 1.00 13.35 O ATOM 388 CB CYS A 30 -5.111 26.862 -21.072 1.00 23.30 C ATOM 389 SG CYS A 30 -6.442 26.783 -22.313 1.00 33.03 S ATOM 0 H CYS A 30 -2.261 26.787 -20.139 1.00 21.34 H new ATOM 0 HA CYS A 30 -3.738 26.115 -22.547 1.00 65.01 H new ATOM 0 HB2 CYS A 30 -5.257 26.062 -20.347 1.00 23.30 H new ATOM 0 HB3 CYS A 30 -5.191 27.803 -20.529 1.00 23.30 H new ATOM 394 N PRO A 31 -2.068 28.153 -22.793 1.00 30.14 N ATOM 395 CA PRO A 31 -1.456 29.400 -23.260 1.00 62.05 C ATOM 396 C PRO A 31 -2.285 30.082 -24.343 1.00 40.31 C ATOM 397 O PRO A 31 -1.741 30.653 -25.288 1.00 4.14 O ATOM 398 CB PRO A 31 -0.109 28.943 -23.827 1.00 0.33 C ATOM 399 CG PRO A 31 -0.322 27.519 -24.208 1.00 42.14 C ATOM 400 CD PRO A 31 -1.305 26.966 -23.214 1.00 4.23 C ATOM 0 HA PRO A 31 -1.370 30.136 -22.461 1.00 62.05 H new ATOM 0 HB2 PRO A 31 0.182 29.544 -24.688 1.00 0.33 H new ATOM 0 HB3 PRO A 31 0.685 29.040 -23.087 1.00 0.33 H new ATOM 0 HG2 PRO A 31 -0.709 27.441 -25.224 1.00 42.14 H new ATOM 0 HG3 PRO A 31 0.615 26.963 -24.180 1.00 42.14 H new ATOM 0 HD2 PRO A 31 -1.951 26.212 -23.664 1.00 4.23 H new ATOM 0 HD3 PRO A 31 -0.801 26.492 -22.371 1.00 4.23 H new ATOM 408 N ALA A 32 -3.605 30.020 -24.199 1.00 23.41 N ATOM 409 CA ALA A 32 -4.509 30.634 -25.163 1.00 64.24 C ATOM 410 C ALA A 32 -5.916 30.765 -24.591 1.00 21.51 C ATOM 411 O ALA A 32 -6.396 29.875 -23.889 1.00 53.44 O ATOM 412 CB ALA A 32 -4.534 29.825 -26.452 1.00 40.21 C ATOM 0 H ALA A 32 -4.072 29.550 -23.423 1.00 23.41 H new ATOM 0 HA ALA A 32 -4.140 31.636 -25.382 1.00 64.24 H new ATOM 0 HB1 ALA A 32 -5.213 30.295 -27.163 1.00 40.21 H new ATOM 0 HB2 ALA A 32 -3.531 29.788 -26.878 1.00 40.21 H new ATOM 0 HB3 ALA A 32 -4.875 28.812 -26.239 1.00 40.21 H new ATOM 418 N GLY A 33 -6.572 31.880 -24.895 1.00 13.34 N ATOM 419 CA GLY A 33 -7.918 32.107 -24.401 1.00 40.10 C ATOM 420 C GLY A 33 -8.890 32.460 -25.509 1.00 51.22 C ATOM 421 O GLY A 33 -8.763 31.977 -26.635 1.00 11.34 O ATOM 0 H GLY A 33 -6.196 32.630 -25.474 1.00 13.34 H new ATOM 0 HA2 GLY A 33 -8.268 31.213 -23.886 1.00 40.10 H new ATOM 0 HA3 GLY A 33 -7.901 32.912 -23.666 1.00 40.10 H new ATOM 425 N LYS A 34 -9.866 33.304 -25.191 1.00 41.23 N ATOM 426 CA LYS A 34 -10.865 33.722 -26.168 1.00 1.24 C ATOM 427 C LYS A 34 -10.210 34.444 -27.341 1.00 13.42 C ATOM 428 O LYS A 34 -8.987 34.448 -27.475 1.00 24.13 O ATOM 429 CB LYS A 34 -11.902 34.634 -25.508 1.00 51.01 C ATOM 430 CG LYS A 34 -13.337 34.254 -25.829 1.00 13.23 C ATOM 431 CD LYS A 34 -14.323 35.002 -24.946 1.00 25.21 C ATOM 432 CE LYS A 34 -15.751 34.541 -25.191 1.00 12.21 C ATOM 433 NZ LYS A 34 -16.395 35.297 -26.300 1.00 53.53 N ATOM 0 H LYS A 34 -9.987 33.712 -24.264 1.00 41.23 H new ATOM 0 HA LYS A 34 -11.363 32.830 -26.547 1.00 1.24 H new ATOM 0 HB2 LYS A 34 -11.761 34.608 -24.427 1.00 51.01 H new ATOM 0 HB3 LYS A 34 -11.727 35.661 -25.828 1.00 51.01 H new ATOM 0 HG2 LYS A 34 -13.547 34.472 -26.876 1.00 13.23 H new ATOM 0 HG3 LYS A 34 -13.469 33.180 -25.695 1.00 13.23 H new ATOM 0 HD2 LYS A 34 -14.064 34.848 -23.898 1.00 25.21 H new ATOM 0 HD3 LYS A 34 -14.247 36.072 -25.139 1.00 25.21 H new ATOM 0 HE2 LYS A 34 -15.754 33.477 -25.427 1.00 12.21 H new ATOM 0 HE3 LYS A 34 -16.335 34.666 -24.279 1.00 12.21 H new ATOM 0 HZ1 LYS A 34 -17.367 34.953 -26.436 1.00 53.53 H new ATOM 0 HZ2 LYS A 34 -16.416 36.310 -26.064 1.00 53.53 H new ATOM 0 HZ3 LYS A 34 -15.853 35.157 -27.176 1.00 53.53 H new ATOM 447 N TRP A 35 -11.032 35.055 -28.186 1.00 53.42 N ATOM 448 CA TRP A 35 -10.532 35.782 -29.348 1.00 10.45 C ATOM 449 C TRP A 35 -9.808 34.844 -30.307 1.00 3.25 C ATOM 450 O TRP A 35 -9.213 33.850 -29.888 1.00 35.23 O ATOM 451 CB TRP A 35 -9.592 36.905 -28.906 1.00 11.41 C ATOM 452 CG TRP A 35 -8.845 37.536 -30.042 1.00 24.52 C ATOM 453 CD1 TRP A 35 -7.526 37.361 -30.352 1.00 51.41 C ATOM 454 CD2 TRP A 35 -9.372 38.442 -31.017 1.00 21.04 C ATOM 455 NE1 TRP A 35 -7.202 38.105 -31.461 1.00 41.11 N ATOM 456 CE2 TRP A 35 -8.317 38.776 -31.888 1.00 41.32 C ATOM 457 CE3 TRP A 35 -10.633 39.002 -31.239 1.00 44.13 C ATOM 458 CZ2 TRP A 35 -8.486 39.646 -32.962 1.00 74.23 C ATOM 459 CZ3 TRP A 35 -10.799 39.865 -32.306 1.00 10.24 C ATOM 460 CH2 TRP A 35 -9.731 40.180 -33.157 1.00 33.33 C ATOM 0 H TRP A 35 -12.047 35.062 -28.089 1.00 53.42 H new ATOM 0 HA TRP A 35 -11.385 36.216 -29.869 1.00 10.45 H new ATOM 0 HB2 TRP A 35 -10.171 37.672 -28.391 1.00 11.41 H new ATOM 0 HB3 TRP A 35 -8.876 36.508 -28.186 1.00 11.41 H new ATOM 0 HD1 TRP A 35 -6.839 36.731 -29.806 1.00 51.41 H new ATOM 0 HE1 TRP A 35 -6.280 38.150 -31.896 1.00 41.11 H new ATOM 0 HE3 TRP A 35 -11.462 38.765 -30.589 1.00 44.13 H new ATOM 0 HZ2 TRP A 35 -7.664 39.891 -33.618 1.00 74.23 H new ATOM 0 HZ3 TRP A 35 -11.769 40.304 -32.487 1.00 10.24 H new ATOM 0 HH2 TRP A 35 -9.894 40.857 -33.983 1.00 33.33 H new ATOM 471 N LEU A 36 -9.860 35.166 -31.594 1.00 72.44 N ATOM 472 CA LEU A 36 -9.208 34.351 -32.614 1.00 31.24 C ATOM 473 C LEU A 36 -9.871 32.981 -32.722 1.00 52.45 C ATOM 474 O LEU A 36 -10.199 32.342 -31.723 1.00 31.12 O ATOM 475 CB LEU A 36 -7.722 34.186 -32.289 1.00 53.24 C ATOM 476 CG LEU A 36 -6.779 34.097 -33.490 1.00 12.22 C ATOM 477 CD1 LEU A 36 -6.897 35.342 -34.355 1.00 15.31 C ATOM 478 CD2 LEU A 36 -5.343 33.902 -33.026 1.00 60.03 C ATOM 0 H LEU A 36 -10.347 35.986 -31.957 1.00 72.44 H new ATOM 0 HA LEU A 36 -9.310 34.861 -33.572 1.00 31.24 H new ATOM 0 HB2 LEU A 36 -7.410 35.027 -31.669 1.00 53.24 H new ATOM 0 HB3 LEU A 36 -7.600 33.285 -31.689 1.00 53.24 H new ATOM 0 HG LEU A 36 -7.067 33.234 -34.091 1.00 12.22 H new ATOM 0 HD11 LEU A 36 -6.219 35.261 -35.204 1.00 15.31 H new ATOM 0 HD12 LEU A 36 -7.921 35.438 -34.716 1.00 15.31 H new ATOM 0 HD13 LEU A 36 -6.636 36.221 -33.765 1.00 15.31 H new ATOM 0 HD21 LEU A 36 -4.686 33.841 -33.893 1.00 60.03 H new ATOM 0 HD22 LEU A 36 -5.044 34.745 -32.403 1.00 60.03 H new ATOM 0 HD23 LEU A 36 -5.269 32.980 -32.449 1.00 60.03 H new ATOM 490 N PRO A 37 -10.072 32.518 -33.965 1.00 54.21 N ATOM 491 CA PRO A 37 -10.695 31.219 -34.234 1.00 73.23 C ATOM 492 C PRO A 37 -9.796 30.052 -33.839 1.00 54.15 C ATOM 493 O PRO A 37 -8.606 30.231 -33.587 1.00 63.12 O ATOM 494 CB PRO A 37 -10.913 31.237 -35.749 1.00 52.03 C ATOM 495 CG PRO A 37 -9.885 32.181 -36.269 1.00 4.23 C ATOM 496 CD PRO A 37 -9.707 33.227 -35.203 1.00 24.01 C ATOM 0 HA PRO A 37 -11.611 31.079 -33.659 1.00 73.23 H new ATOM 0 HB2 PRO A 37 -10.790 30.243 -36.178 1.00 52.03 H new ATOM 0 HB3 PRO A 37 -11.920 31.571 -36.000 1.00 52.03 H new ATOM 0 HG2 PRO A 37 -8.946 31.664 -36.469 1.00 4.23 H new ATOM 0 HG3 PRO A 37 -10.208 32.631 -37.208 1.00 4.23 H new ATOM 0 HD2 PRO A 37 -8.681 33.595 -35.168 1.00 24.01 H new ATOM 0 HD3 PRO A 37 -10.349 34.090 -35.376 1.00 24.01 H new ATOM 504 N GLY A 38 -10.375 28.856 -33.788 1.00 61.13 N ATOM 505 CA GLY A 38 -9.611 27.677 -33.424 1.00 3.32 C ATOM 506 C GLY A 38 -8.836 27.865 -32.135 1.00 24.33 C ATOM 507 O GLY A 38 -7.686 27.435 -32.024 1.00 53.54 O ATOM 0 H GLY A 38 -11.359 28.683 -33.992 1.00 61.13 H new ATOM 0 HA2 GLY A 38 -10.287 26.828 -33.318 1.00 3.32 H new ATOM 0 HA3 GLY A 38 -8.918 27.434 -34.229 1.00 3.32 H new ATOM 511 N LEU A 39 -9.463 28.509 -31.157 1.00 75.31 N ATOM 512 CA LEU A 39 -8.825 28.754 -29.869 1.00 4.13 C ATOM 513 C LEU A 39 -8.271 27.460 -29.280 1.00 41.34 C ATOM 514 O LEU A 39 -9.001 26.485 -29.100 1.00 50.52 O ATOM 515 CB LEU A 39 -9.821 29.385 -28.895 1.00 34.01 C ATOM 516 CG LEU A 39 -11.160 28.662 -28.743 1.00 13.22 C ATOM 517 CD1 LEU A 39 -11.302 28.091 -27.340 1.00 54.53 C ATOM 518 CD2 LEU A 39 -12.314 29.604 -29.057 1.00 5.13 C ATOM 0 H LEU A 39 -10.414 28.871 -31.232 1.00 75.31 H new ATOM 0 HA LEU A 39 -7.996 29.443 -30.028 1.00 4.13 H new ATOM 0 HB2 LEU A 39 -9.350 29.446 -27.914 1.00 34.01 H new ATOM 0 HB3 LEU A 39 -10.017 30.407 -29.219 1.00 34.01 H new ATOM 0 HG LEU A 39 -11.188 27.836 -29.454 1.00 13.22 H new ATOM 0 HD11 LEU A 39 -12.261 27.580 -27.250 1.00 54.53 H new ATOM 0 HD12 LEU A 39 -10.495 27.383 -27.152 1.00 54.53 H new ATOM 0 HD13 LEU A 39 -11.252 28.900 -26.611 1.00 54.53 H new ATOM 0 HD21 LEU A 39 -13.259 29.072 -28.944 1.00 5.13 H new ATOM 0 HD22 LEU A 39 -12.289 30.451 -28.371 1.00 5.13 H new ATOM 0 HD23 LEU A 39 -12.221 29.964 -30.082 1.00 5.13 H new ATOM 530 N PHE A 40 -6.976 27.459 -28.981 1.00 12.22 N ATOM 531 CA PHE A 40 -6.324 26.286 -28.411 1.00 73.31 C ATOM 532 C PHE A 40 -6.956 25.908 -27.074 1.00 62.14 C ATOM 533 O PHE A 40 -7.058 26.735 -26.168 1.00 63.11 O ATOM 534 CB PHE A 40 -4.828 26.547 -28.226 1.00 32.15 C ATOM 535 CG PHE A 40 -4.171 27.154 -29.432 1.00 74.12 C ATOM 536 CD1 PHE A 40 -4.414 26.646 -30.698 1.00 62.23 C ATOM 537 CD2 PHE A 40 -3.312 28.233 -29.301 1.00 31.34 C ATOM 538 CE1 PHE A 40 -3.810 27.202 -31.810 1.00 50.02 C ATOM 539 CE2 PHE A 40 -2.706 28.793 -30.409 1.00 2.51 C ATOM 540 CZ PHE A 40 -2.956 28.278 -31.665 1.00 60.15 C ATOM 0 H PHE A 40 -6.358 28.257 -29.124 1.00 12.22 H new ATOM 0 HA PHE A 40 -6.457 25.455 -29.103 1.00 73.31 H new ATOM 0 HB2 PHE A 40 -4.686 27.210 -27.373 1.00 32.15 H new ATOM 0 HB3 PHE A 40 -4.331 25.607 -27.986 1.00 32.15 H new ATOM 0 HD1 PHE A 40 -5.083 25.806 -30.817 1.00 62.23 H new ATOM 0 HD2 PHE A 40 -3.114 28.641 -28.321 1.00 31.34 H new ATOM 0 HE1 PHE A 40 -4.006 26.796 -32.791 1.00 50.02 H new ATOM 0 HE2 PHE A 40 -2.037 29.633 -30.293 1.00 2.51 H new ATOM 0 HZ PHE A 40 -2.485 28.715 -32.533 1.00 60.15 H new ATOM 550 N ARG A 41 -7.379 24.653 -26.960 1.00 43.21 N ATOM 551 CA ARG A 41 -8.002 24.165 -25.736 1.00 1.53 C ATOM 552 C ARG A 41 -6.978 24.058 -24.610 1.00 3.22 C ATOM 553 O ARG A 41 -5.817 24.435 -24.774 1.00 21.31 O ATOM 554 CB ARG A 41 -8.654 22.803 -25.978 1.00 12.01 C ATOM 555 CG ARG A 41 -7.728 21.793 -26.636 1.00 34.13 C ATOM 556 CD ARG A 41 -7.765 20.453 -25.918 1.00 34.04 C ATOM 557 NE ARG A 41 -7.447 19.344 -26.812 1.00 63.52 N ATOM 558 CZ ARG A 41 -8.312 18.824 -27.676 1.00 42.22 C ATOM 559 NH1 ARG A 41 -9.542 19.312 -27.762 1.00 22.20 N ATOM 560 NH2 ARG A 41 -7.947 17.815 -28.457 1.00 0.30 N ATOM 0 H ARG A 41 -7.301 23.956 -27.701 1.00 43.21 H new ATOM 0 HA ARG A 41 -8.770 24.880 -25.439 1.00 1.53 H new ATOM 0 HB2 ARG A 41 -8.999 22.400 -25.026 1.00 12.01 H new ATOM 0 HB3 ARG A 41 -9.535 22.938 -26.605 1.00 12.01 H new ATOM 0 HG2 ARG A 41 -8.018 21.657 -27.678 1.00 34.13 H new ATOM 0 HG3 ARG A 41 -6.709 22.179 -26.637 1.00 34.13 H new ATOM 0 HD2 ARG A 41 -7.056 20.466 -25.090 1.00 34.04 H new ATOM 0 HD3 ARG A 41 -8.755 20.299 -25.488 1.00 34.04 H new ATOM 0 HE ARG A 41 -6.509 18.946 -26.771 1.00 63.52 H new ATOM 0 HH11 ARG A 41 -9.826 20.088 -27.164 1.00 22.20 H new ATOM 0 HH12 ARG A 41 -10.204 18.911 -28.426 1.00 22.20 H new ATOM 0 HH21 ARG A 41 -7.001 17.438 -28.394 1.00 0.30 H new ATOM 0 HH22 ARG A 41 -8.612 17.417 -29.120 1.00 0.30 H new ATOM 574 N CYS A 42 -7.415 23.543 -23.466 1.00 34.40 N ATOM 575 CA CYS A 42 -6.538 23.386 -22.312 1.00 14.21 C ATOM 576 C CYS A 42 -6.251 21.912 -22.043 1.00 63.22 C ATOM 577 O CYS A 42 -7.043 21.038 -22.397 1.00 33.14 O ATOM 578 CB CYS A 42 -7.170 24.028 -21.075 1.00 23.44 C ATOM 579 SG CYS A 42 -7.855 25.690 -21.367 1.00 34.22 S ATOM 0 H CYS A 42 -8.373 23.227 -23.313 1.00 34.40 H new ATOM 0 HA CYS A 42 -5.595 23.887 -22.532 1.00 14.21 H new ATOM 0 HB2 CYS A 42 -7.965 23.379 -20.708 1.00 23.44 H new ATOM 0 HB3 CYS A 42 -6.419 24.090 -20.287 1.00 23.44 H new ATOM 584 N THR A 43 -5.110 21.642 -21.415 1.00 75.10 N ATOM 585 CA THR A 43 -4.717 20.275 -21.099 1.00 62.34 C ATOM 586 C THR A 43 -3.875 20.224 -19.829 1.00 51.14 C ATOM 587 O THR A 43 -3.070 21.119 -19.570 1.00 22.10 O ATOM 588 CB THR A 43 -3.921 19.638 -22.255 1.00 13.24 C ATOM 589 OG1 THR A 43 -2.801 20.464 -22.591 1.00 23.20 O ATOM 590 CG2 THR A 43 -4.804 19.449 -23.479 1.00 64.52 C ATOM 0 H THR A 43 -4.442 22.353 -21.116 1.00 75.10 H new ATOM 0 HA THR A 43 -5.636 19.710 -20.945 1.00 62.34 H new ATOM 0 HB THR A 43 -3.566 18.661 -21.928 1.00 13.24 H new ATOM 0 HG1 THR A 43 -2.299 20.052 -23.325 1.00 23.20 H new ATOM 0 HG21 THR A 43 -4.221 18.998 -24.282 1.00 64.52 H new ATOM 0 HG22 THR A 43 -5.640 18.797 -23.227 1.00 64.52 H new ATOM 0 HG23 THR A 43 -5.184 20.417 -23.806 1.00 64.52 H new ATOM 598 N CYS A 44 -4.066 19.172 -19.040 1.00 44.05 N ATOM 599 CA CYS A 44 -3.324 19.004 -17.797 1.00 23.12 C ATOM 600 C CYS A 44 -1.933 18.436 -18.065 1.00 71.14 C ATOM 601 O CYS A 44 -1.791 17.392 -18.701 1.00 32.30 O ATOM 602 CB CYS A 44 -4.087 18.083 -16.843 1.00 75.34 C ATOM 603 SG CYS A 44 -4.554 18.866 -15.266 1.00 43.54 S ATOM 0 H CYS A 44 -4.729 18.423 -19.240 1.00 44.05 H new ATOM 0 HA CYS A 44 -3.214 19.985 -17.335 1.00 23.12 H new ATOM 0 HB2 CYS A 44 -4.989 17.729 -17.341 1.00 75.34 H new ATOM 0 HB3 CYS A 44 -3.474 17.207 -16.633 1.00 75.34 H new ATOM 608 N GLN A 45 -0.911 19.131 -17.576 1.00 54.24 N ATOM 609 CA GLN A 45 0.468 18.696 -17.764 1.00 54.22 C ATOM 610 C GLN A 45 1.273 18.870 -16.481 1.00 12.13 C ATOM 611 O GLN A 45 0.852 19.573 -15.562 1.00 32.12 O ATOM 612 CB GLN A 45 1.122 19.482 -18.901 1.00 42.34 C ATOM 613 CG GLN A 45 0.603 19.105 -20.279 1.00 54.44 C ATOM 614 CD GLN A 45 0.697 17.617 -20.552 1.00 14.04 C ATOM 615 OE1 GLN A 45 1.582 16.935 -20.036 1.00 22.45 O ATOM 616 NE2 GLN A 45 -0.219 17.105 -21.366 1.00 23.11 N ATOM 0 H GLN A 45 -1.012 19.997 -17.047 1.00 54.24 H new ATOM 0 HA GLN A 45 0.457 17.637 -18.023 1.00 54.22 H new ATOM 0 HB2 GLN A 45 0.955 20.547 -18.738 1.00 42.34 H new ATOM 0 HB3 GLN A 45 2.199 19.320 -18.871 1.00 42.34 H new ATOM 0 HG2 GLN A 45 -0.436 19.422 -20.371 1.00 54.44 H new ATOM 0 HG3 GLN A 45 1.170 19.646 -21.037 1.00 54.44 H new ATOM 0 HE21 GLN A 45 -0.935 17.708 -21.772 1.00 23.11 H new ATOM 0 HE22 GLN A 45 -0.207 16.109 -21.586 1.00 23.11 H new ATOM 625 N VAL A 46 2.434 18.225 -16.424 1.00 74.21 N ATOM 626 CA VAL A 46 3.299 18.309 -15.253 1.00 74.44 C ATOM 627 C VAL A 46 4.229 19.513 -15.343 1.00 10.04 C ATOM 628 O VAL A 46 4.610 19.938 -16.434 1.00 2.44 O ATOM 629 CB VAL A 46 4.144 17.032 -15.088 1.00 21.23 C ATOM 630 CG1 VAL A 46 4.909 16.728 -16.367 1.00 1.02 C ATOM 631 CG2 VAL A 46 5.095 17.172 -13.909 1.00 11.34 C ATOM 0 H VAL A 46 2.797 17.638 -17.175 1.00 74.21 H new ATOM 0 HA VAL A 46 2.649 18.420 -14.385 1.00 74.44 H new ATOM 0 HB VAL A 46 3.473 16.197 -14.888 1.00 21.23 H new ATOM 0 HG11 VAL A 46 5.500 15.822 -16.231 1.00 1.02 H new ATOM 0 HG12 VAL A 46 4.205 16.582 -17.186 1.00 1.02 H new ATOM 0 HG13 VAL A 46 5.571 17.561 -16.602 1.00 1.02 H new ATOM 0 HG21 VAL A 46 5.684 16.261 -13.807 1.00 11.34 H new ATOM 0 HG22 VAL A 46 5.761 18.018 -14.077 1.00 11.34 H new ATOM 0 HG23 VAL A 46 4.522 17.338 -12.997 1.00 11.34 H new ATOM 641 N THR A 47 4.593 20.060 -14.187 1.00 14.03 N ATOM 642 CA THR A 47 5.478 21.216 -14.133 1.00 41.34 C ATOM 643 C THR A 47 5.921 21.504 -12.703 1.00 41.15 C ATOM 644 O THR A 47 5.566 20.777 -11.776 1.00 41.24 O ATOM 645 CB THR A 47 4.798 22.472 -14.711 1.00 32.04 C ATOM 646 OG1 THR A 47 3.432 22.186 -15.031 1.00 31.32 O ATOM 647 CG2 THR A 47 5.525 22.957 -15.956 1.00 11.45 C ATOM 0 H THR A 47 4.288 19.720 -13.275 1.00 14.03 H new ATOM 0 HA THR A 47 6.351 20.973 -14.739 1.00 41.34 H new ATOM 0 HB THR A 47 4.837 23.259 -13.957 1.00 32.04 H new ATOM 0 HG1 THR A 47 3.349 22.022 -15.994 1.00 31.32 H new ATOM 0 HG21 THR A 47 5.027 23.844 -16.346 1.00 11.45 H new ATOM 0 HG22 THR A 47 6.557 23.202 -15.703 1.00 11.45 H new ATOM 0 HG23 THR A 47 5.514 22.173 -16.713 1.00 11.45 H new ATOM 655 N GLU A 48 6.698 22.569 -12.532 1.00 51.34 N ATOM 656 CA GLU A 48 7.189 22.952 -11.214 1.00 10.02 C ATOM 657 C GLU A 48 6.625 24.307 -10.796 1.00 4.14 C ATOM 658 O GLU A 48 6.651 24.665 -9.618 1.00 53.22 O ATOM 659 CB GLU A 48 8.718 23.000 -11.209 1.00 23.12 C ATOM 660 CG GLU A 48 9.306 23.545 -9.918 1.00 31.01 C ATOM 661 CD GLU A 48 10.820 23.471 -9.889 1.00 62.41 C ATOM 662 OE1 GLU A 48 11.435 23.465 -10.976 1.00 23.13 O ATOM 663 OE2 GLU A 48 11.390 23.418 -8.779 1.00 10.41 O ATOM 0 H GLU A 48 7.001 23.181 -13.289 1.00 51.34 H new ATOM 0 HA GLU A 48 6.854 22.202 -10.498 1.00 10.02 H new ATOM 0 HB2 GLU A 48 9.105 21.995 -11.379 1.00 23.12 H new ATOM 0 HB3 GLU A 48 9.056 23.617 -12.041 1.00 23.12 H new ATOM 0 HG2 GLU A 48 8.994 24.582 -9.791 1.00 31.01 H new ATOM 0 HG3 GLU A 48 8.902 22.985 -9.075 1.00 31.01 H new ATOM 670 N SER A 49 6.118 25.056 -11.769 1.00 54.21 N ATOM 671 CA SER A 49 5.552 26.374 -11.504 1.00 34.41 C ATOM 672 C SER A 49 4.526 26.307 -10.376 1.00 40.33 C ATOM 673 O SER A 49 4.112 25.224 -9.962 1.00 11.50 O ATOM 674 CB SER A 49 4.900 26.936 -12.769 1.00 2.33 C ATOM 675 OG SER A 49 5.224 26.150 -13.902 1.00 43.12 O ATOM 0 H SER A 49 6.087 24.773 -12.749 1.00 54.21 H new ATOM 0 HA SER A 49 6.362 27.036 -11.197 1.00 34.41 H new ATOM 0 HB2 SER A 49 3.818 26.967 -12.641 1.00 2.33 H new ATOM 0 HB3 SER A 49 5.232 27.962 -12.928 1.00 2.33 H new ATOM 0 HG SER A 49 4.794 26.529 -14.697 1.00 43.12 H new ATOM 681 N ASP A 50 4.121 27.473 -9.885 1.00 31.15 N ATOM 682 CA ASP A 50 3.143 27.549 -8.805 1.00 51.15 C ATOM 683 C ASP A 50 1.738 27.766 -9.360 1.00 21.45 C ATOM 684 O ASP A 50 0.865 28.302 -8.677 1.00 22.35 O ATOM 685 CB ASP A 50 3.504 28.679 -7.840 1.00 53.32 C ATOM 686 CG ASP A 50 4.918 28.556 -7.307 1.00 54.23 C ATOM 687 OD1 ASP A 50 5.169 27.641 -6.495 1.00 75.25 O ATOM 688 OD2 ASP A 50 5.774 29.375 -7.703 1.00 35.23 O ATOM 0 H ASP A 50 4.454 28.378 -10.217 1.00 31.15 H new ATOM 0 HA ASP A 50 3.159 26.602 -8.265 1.00 51.15 H new ATOM 0 HB2 ASP A 50 3.393 29.637 -8.349 1.00 53.32 H new ATOM 0 HB3 ASP A 50 2.803 28.678 -7.005 1.00 53.32 H new ATOM 693 N LYS A 51 1.527 27.346 -10.602 1.00 52.25 N ATOM 694 CA LYS A 51 0.229 27.493 -11.250 1.00 14.42 C ATOM 695 C LYS A 51 -0.585 26.208 -11.135 1.00 53.42 C ATOM 696 O LYS A 51 -1.504 25.972 -11.920 1.00 21.51 O ATOM 697 CB LYS A 51 0.410 27.865 -12.723 1.00 53.22 C ATOM 698 CG LYS A 51 -0.204 29.205 -13.092 1.00 63.13 C ATOM 699 CD LYS A 51 -0.789 29.183 -14.494 1.00 72.22 C ATOM 700 CE LYS A 51 -1.573 30.452 -14.791 1.00 11.11 C ATOM 701 NZ LYS A 51 -2.329 30.351 -16.070 1.00 32.22 N ATOM 0 H LYS A 51 2.239 26.900 -11.181 1.00 52.25 H new ATOM 0 HA LYS A 51 -0.313 28.292 -10.744 1.00 14.42 H new ATOM 0 HB2 LYS A 51 1.475 27.886 -12.955 1.00 53.22 H new ATOM 0 HB3 LYS A 51 -0.036 27.087 -13.343 1.00 53.22 H new ATOM 0 HG2 LYS A 51 -0.985 29.458 -12.375 1.00 63.13 H new ATOM 0 HG3 LYS A 51 0.555 29.985 -13.026 1.00 63.13 H new ATOM 0 HD2 LYS A 51 0.014 29.071 -15.223 1.00 72.22 H new ATOM 0 HD3 LYS A 51 -1.442 28.317 -14.603 1.00 72.22 H new ATOM 0 HE2 LYS A 51 -2.267 30.650 -13.974 1.00 11.11 H new ATOM 0 HE3 LYS A 51 -0.888 31.299 -14.840 1.00 11.11 H new ATOM 0 HZ1 LYS A 51 -2.850 31.236 -16.236 1.00 32.22 H new ATOM 0 HZ2 LYS A 51 -1.665 30.188 -16.854 1.00 32.22 H new ATOM 0 HZ3 LYS A 51 -3.001 29.559 -16.015 1.00 32.22 H new ATOM 715 N VAL A 52 -0.243 25.382 -10.152 1.00 12.23 N ATOM 716 CA VAL A 52 -0.944 24.123 -9.933 1.00 20.42 C ATOM 717 C VAL A 52 -2.139 24.312 -9.005 1.00 50.44 C ATOM 718 O VAL A 52 -2.306 25.370 -8.400 1.00 4.21 O ATOM 719 CB VAL A 52 -0.008 23.056 -9.334 1.00 42.10 C ATOM 720 CG1 VAL A 52 1.240 22.900 -10.189 1.00 63.04 C ATOM 721 CG2 VAL A 52 0.359 23.413 -7.902 1.00 11.54 C ATOM 0 H VAL A 52 0.516 25.562 -9.494 1.00 12.23 H new ATOM 0 HA VAL A 52 -1.295 23.783 -10.908 1.00 20.42 H new ATOM 0 HB VAL A 52 -0.534 22.101 -9.323 1.00 42.10 H new ATOM 0 HG11 VAL A 52 1.889 22.142 -9.750 1.00 63.04 H new ATOM 0 HG12 VAL A 52 0.955 22.595 -11.196 1.00 63.04 H new ATOM 0 HG13 VAL A 52 1.771 23.851 -10.234 1.00 63.04 H new ATOM 0 HG21 VAL A 52 1.021 22.649 -7.495 1.00 11.54 H new ATOM 0 HG22 VAL A 52 0.866 24.378 -7.886 1.00 11.54 H new ATOM 0 HG23 VAL A 52 -0.546 23.469 -7.298 1.00 11.54 H new ATOM 731 N ASN A 53 -2.968 23.279 -8.899 1.00 14.40 N ATOM 732 CA ASN A 53 -4.149 23.332 -8.045 1.00 13.23 C ATOM 733 C ASN A 53 -3.768 23.691 -6.612 1.00 14.23 C ATOM 734 O ASN A 53 -2.626 23.499 -6.194 1.00 34.41 O ATOM 735 CB ASN A 53 -4.882 21.989 -8.068 1.00 50.24 C ATOM 736 CG ASN A 53 -3.929 20.810 -8.050 1.00 4.12 C ATOM 737 OD1 ASN A 53 -2.791 20.924 -7.592 1.00 55.20 O ATOM 738 ND2 ASN A 53 -4.389 19.669 -8.549 1.00 52.11 N ATOM 0 H ASN A 53 -2.844 22.396 -9.393 1.00 14.40 H new ATOM 0 HA ASN A 53 -4.811 24.107 -8.431 1.00 13.23 H new ATOM 0 HB2 ASN A 53 -5.548 21.927 -7.208 1.00 50.24 H new ATOM 0 HB3 ASN A 53 -5.507 21.934 -8.960 1.00 50.24 H new ATOM 0 HD21 ASN A 53 -3.793 18.842 -8.563 1.00 52.11 H new ATOM 0 HD22 ASN A 53 -5.339 19.620 -8.918 1.00 52.11 H new ATOM 745 N LYS A 54 -4.733 24.214 -5.862 1.00 71.22 N ATOM 746 CA LYS A 54 -4.501 24.599 -4.475 1.00 75.40 C ATOM 747 C LYS A 54 -4.476 23.373 -3.567 1.00 65.15 C ATOM 748 O LYS A 54 -4.206 23.479 -2.371 1.00 11.53 O ATOM 749 CB LYS A 54 -5.586 25.571 -4.006 1.00 32.21 C ATOM 750 CG LYS A 54 -6.999 25.081 -4.274 1.00 1.40 C ATOM 751 CD LYS A 54 -7.645 25.843 -5.419 1.00 60.12 C ATOM 752 CE LYS A 54 -8.252 24.898 -6.445 1.00 30.23 C ATOM 753 NZ LYS A 54 -8.747 25.626 -7.645 1.00 52.15 N ATOM 0 H LYS A 54 -5.684 24.381 -6.192 1.00 71.22 H new ATOM 0 HA LYS A 54 -3.530 25.092 -4.418 1.00 75.40 H new ATOM 0 HB2 LYS A 54 -5.468 25.746 -2.937 1.00 32.21 H new ATOM 0 HB3 LYS A 54 -5.443 26.530 -4.504 1.00 32.21 H new ATOM 0 HG2 LYS A 54 -6.978 24.017 -4.510 1.00 1.40 H new ATOM 0 HG3 LYS A 54 -7.602 25.196 -3.373 1.00 1.40 H new ATOM 0 HD2 LYS A 54 -8.419 26.503 -5.027 1.00 60.12 H new ATOM 0 HD3 LYS A 54 -6.901 26.476 -5.902 1.00 60.12 H new ATOM 0 HE2 LYS A 54 -7.506 24.163 -6.748 1.00 30.23 H new ATOM 0 HE3 LYS A 54 -9.075 24.347 -5.989 1.00 30.23 H new ATOM 0 HZ1 LYS A 54 -9.153 24.947 -8.320 1.00 52.15 H new ATOM 0 HZ2 LYS A 54 -9.477 26.309 -7.360 1.00 52.15 H new ATOM 0 HZ3 LYS A 54 -7.957 26.131 -8.095 1.00 52.15 H new ATOM 767 N CYS A 55 -4.756 22.209 -4.144 1.00 41.24 N ATOM 768 CA CYS A 55 -4.764 20.963 -3.388 1.00 62.45 C ATOM 769 C CYS A 55 -3.367 20.632 -2.870 1.00 13.25 C ATOM 770 O CYS A 55 -2.355 21.065 -3.420 1.00 62.35 O ATOM 771 CB CYS A 55 -5.280 19.816 -4.260 1.00 53.43 C ATOM 772 SG CYS A 55 -6.947 19.234 -3.812 1.00 53.23 S ATOM 0 H CYS A 55 -4.980 22.103 -5.133 1.00 41.24 H new ATOM 0 HA CYS A 55 -5.429 21.090 -2.534 1.00 62.45 H new ATOM 0 HB2 CYS A 55 -5.287 20.140 -5.301 1.00 53.43 H new ATOM 0 HB3 CYS A 55 -4.584 18.980 -4.191 1.00 53.43 H new ATOM 777 N PRO A 56 -3.310 19.847 -1.784 1.00 32.32 N ATOM 778 CA PRO A 56 -2.044 19.440 -1.167 1.00 32.11 C ATOM 779 C PRO A 56 -1.264 18.461 -2.037 1.00 24.31 C ATOM 780 O PRO A 56 -1.777 17.916 -3.014 1.00 71.14 O ATOM 781 CB PRO A 56 -2.485 18.765 0.135 1.00 44.14 C ATOM 782 CG PRO A 56 -3.871 18.290 -0.135 1.00 44.11 C ATOM 783 CD PRO A 56 -4.477 19.295 -1.075 1.00 71.22 C ATOM 0 HA PRO A 56 -1.372 20.285 -1.019 1.00 32.11 H new ATOM 0 HB2 PRO A 56 -1.826 17.936 0.394 1.00 44.14 H new ATOM 0 HB3 PRO A 56 -2.462 19.464 0.971 1.00 44.14 H new ATOM 0 HG2 PRO A 56 -3.863 17.295 -0.580 1.00 44.11 H new ATOM 0 HG3 PRO A 56 -4.447 18.222 0.788 1.00 44.11 H new ATOM 0 HD2 PRO A 56 -5.181 18.828 -1.763 1.00 71.22 H new ATOM 0 HD3 PRO A 56 -5.024 20.070 -0.537 1.00 71.22 H new ATOM 791 N PRO A 57 0.007 18.230 -1.675 1.00 62.25 N ATOM 792 CA PRO A 57 0.885 17.314 -2.410 1.00 43.10 C ATOM 793 C PRO A 57 0.470 15.856 -2.245 1.00 45.12 C ATOM 794 O PRO A 57 -0.576 15.560 -1.669 1.00 50.04 O ATOM 795 CB PRO A 57 2.258 17.554 -1.777 1.00 11.53 C ATOM 796 CG PRO A 57 1.960 18.056 -0.406 1.00 1.21 C ATOM 797 CD PRO A 57 0.685 18.844 -0.522 1.00 13.45 C ATOM 0 HA PRO A 57 0.858 17.497 -3.484 1.00 43.10 H new ATOM 0 HB2 PRO A 57 2.845 16.636 -1.744 1.00 11.53 H new ATOM 0 HB3 PRO A 57 2.836 18.281 -2.348 1.00 11.53 H new ATOM 0 HG2 PRO A 57 1.846 17.230 0.296 1.00 1.21 H new ATOM 0 HG3 PRO A 57 2.772 18.680 -0.034 1.00 1.21 H new ATOM 0 HD2 PRO A 57 0.083 18.770 0.384 1.00 13.45 H new ATOM 0 HD3 PRO A 57 0.881 19.903 -0.689 1.00 13.45 H new ATOM 805 N ALA A 58 1.298 14.949 -2.754 1.00 1.11 N ATOM 806 CA ALA A 58 1.018 13.522 -2.660 1.00 71.34 C ATOM 807 C ALA A 58 2.282 12.699 -2.881 1.00 25.51 C ATOM 808 O ALA A 58 2.487 12.136 -3.956 1.00 24.33 O ATOM 809 CB ALA A 58 -0.053 13.127 -3.666 1.00 52.14 C ATOM 0 H ALA A 58 2.168 15.178 -3.235 1.00 1.11 H new ATOM 0 HA ALA A 58 0.651 13.314 -1.655 1.00 71.34 H new ATOM 0 HB1 ALA A 58 -0.252 12.058 -3.585 1.00 52.14 H new ATOM 0 HB2 ALA A 58 -0.968 13.683 -3.461 1.00 52.14 H new ATOM 0 HB3 ALA A 58 0.293 13.356 -4.674 1.00 52.14 H new ATOM 815 N GLU A 59 3.127 12.634 -1.856 1.00 61.33 N ATOM 816 CA GLU A 59 4.373 11.880 -1.940 1.00 75.05 C ATOM 817 C GLU A 59 4.789 11.363 -0.567 1.00 24.24 C ATOM 818 O GLU A 59 4.073 10.580 0.056 1.00 14.33 O ATOM 819 CB GLU A 59 5.484 12.752 -2.528 1.00 11.41 C ATOM 820 CG GLU A 59 6.818 12.037 -2.651 1.00 65.44 C ATOM 821 CD GLU A 59 7.637 12.105 -1.377 1.00 22.31 C ATOM 822 OE1 GLU A 59 7.448 13.066 -0.602 1.00 22.42 O ATOM 823 OE2 GLU A 59 8.466 11.198 -1.155 1.00 4.04 O ATOM 0 H GLU A 59 2.972 13.094 -0.959 1.00 61.33 H new ATOM 0 HA GLU A 59 4.207 11.025 -2.596 1.00 75.05 H new ATOM 0 HB2 GLU A 59 5.177 13.102 -3.514 1.00 11.41 H new ATOM 0 HB3 GLU A 59 5.611 13.635 -1.902 1.00 11.41 H new ATOM 0 HG2 GLU A 59 6.644 10.993 -2.911 1.00 65.44 H new ATOM 0 HG3 GLU A 59 7.388 12.478 -3.469 1.00 65.44 H new TER 830 GLU A 59