USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 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 66 LYS NZ :NH3+ 143:sc= 1.65 (180deg=-0.561) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.464 K(o=2.1,f=-8!) USER MOD Set 2.1: A 54 ASN : amide:sc= -5.51! C(o=-9.1!,f=-14!) USER MOD Set 2.2: A 56 GLN : amide:sc= -3.56! C(o=-9.1!,f=-18!) USER MOD Set 3.1: A 40 TYR OH : rot 180:sc= -0.0763 USER MOD Set 3.2: A 42 SER OG : rot -43:sc= -0.7 USER MOD Set 4.1: A 33 LYS NZ :NH3+ -163:sc= 2.34 (180deg=2.22) USER MOD Set 4.2: A 64 THR OG1 : rot 86:sc= 1.15 USER MOD Set 5.1: A 7 SER OG : rot 79:sc= 2.06 USER MOD Set 5.2: A 12 SER OG : rot 133:sc= 0.758 USER MOD Set 6.1: A 1 GLY N :NH3+ -126:sc= 1.18 (180deg=-1.47!) USER MOD Set 6.2: A 46 ASN : amide:sc= 0.986 K(o=2.2,f=-9.1!) USER MOD Single : A 10 SER OG : rot 83:sc= 1.19 USER MOD Single : A 13 THR OG1 : rot -7:sc= 0.0814 USER MOD Single : A 15 SER OG : rot 65:sc= 0.235 USER MOD Single : A 17 THR OG1 : rot -140:sc= 0.653 USER MOD Single : A 23 SER OG : rot 65:sc= 0.35 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= 0.251 (180deg=-1.42) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 49 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -138:sc= 0.403 (180deg=-3.2!) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 70 ASN : amide:sc= -0.0814 K(o=-0.081,f=-3!) USER MOD Single : A 72 THR OG1 : rot -150:sc= -0.268 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.473 -0.119 -2.176 1.00 70.02 N ATOM 2 CA GLY A 1 2.129 -0.720 -2.108 1.00 30.41 C ATOM 3 C GLY A 1 1.857 -1.619 -3.297 1.00 22.41 C ATOM 4 O GLY A 1 0.744 -1.637 -3.852 1.00 43.41 O ATOM 0 H1 GLY A 1 3.988 -0.321 -1.296 1.00 70.02 H new ATOM 0 H2 GLY A 1 3.993 -0.522 -2.982 1.00 70.02 H new ATOM 0 H3 GLY A 1 3.387 0.910 -2.299 1.00 70.02 H new ATOM 0 HA2 GLY A 1 2.034 -1.295 -1.187 1.00 30.41 H new ATOM 0 HA3 GLY A 1 1.379 0.070 -2.069 1.00 30.41 H new ATOM 5 N CYS A 2 2.856 -2.350 -3.690 1.00 62.52 N ATOM 6 CA CYS A 2 2.796 -3.234 -4.796 1.00 63.51 C ATOM 7 C CYS A 2 2.303 -4.612 -4.363 1.00 21.30 C ATOM 8 O CYS A 2 3.053 -5.447 -3.881 1.00 31.43 O ATOM 9 CB CYS A 2 4.156 -3.284 -5.472 1.00 22.42 C ATOM 10 SG CYS A 2 4.671 -1.680 -6.189 1.00 20.44 S ATOM 0 H CYS A 2 3.765 -2.341 -3.227 1.00 62.52 H new ATOM 0 HA CYS A 2 2.073 -2.867 -5.525 1.00 63.51 H new ATOM 0 HB2 CYS A 2 4.903 -3.606 -4.746 1.00 22.42 H new ATOM 0 HB3 CYS A 2 4.134 -4.036 -6.261 1.00 22.42 H new ATOM 11 N PHE A 3 1.013 -4.807 -4.525 1.00 52.52 N ATOM 12 CA PHE A 3 0.311 -5.986 -4.050 1.00 75.44 C ATOM 13 C PHE A 3 0.428 -7.235 -4.930 1.00 70.34 C ATOM 14 O PHE A 3 0.235 -8.342 -4.466 1.00 11.32 O ATOM 15 CB PHE A 3 -1.168 -5.666 -3.780 1.00 61.44 C ATOM 16 CG PHE A 3 -1.924 -5.068 -4.965 1.00 23.10 C ATOM 17 CD1 PHE A 3 -2.313 -5.872 -6.033 1.00 20.23 C ATOM 18 CD2 PHE A 3 -2.231 -3.701 -5.020 1.00 24.44 C ATOM 19 CE1 PHE A 3 -2.976 -5.334 -7.114 1.00 1.41 C ATOM 20 CE2 PHE A 3 -2.902 -3.170 -6.102 1.00 45.23 C ATOM 21 CZ PHE A 3 -3.272 -3.986 -7.151 1.00 24.04 C ATOM 0 H PHE A 3 0.407 -4.138 -5.000 1.00 52.52 H new ATOM 0 HA PHE A 3 0.824 -6.247 -3.125 1.00 75.44 H new ATOM 0 HB2 PHE A 3 -1.672 -6.582 -3.471 1.00 61.44 H new ATOM 0 HB3 PHE A 3 -1.227 -4.971 -2.942 1.00 61.44 H new ATOM 0 HD1 PHE A 3 -2.093 -6.929 -6.014 1.00 20.23 H new ATOM 0 HD2 PHE A 3 -1.938 -3.056 -4.205 1.00 24.44 H new ATOM 0 HE1 PHE A 3 -3.266 -5.970 -7.937 1.00 1.41 H new ATOM 0 HE2 PHE A 3 -3.137 -2.116 -6.128 1.00 45.23 H new ATOM 0 HZ PHE A 3 -3.793 -3.570 -8.001 1.00 24.04 H new ATOM 22 N GLU A 4 0.744 -7.038 -6.144 1.00 71.30 N ATOM 23 CA GLU A 4 0.608 -8.035 -7.191 1.00 63.11 C ATOM 24 C GLU A 4 1.591 -9.211 -7.048 1.00 33.33 C ATOM 25 O GLU A 4 1.147 -10.363 -6.839 1.00 52.14 O ATOM 26 CB GLU A 4 0.781 -7.295 -8.456 1.00 41.22 C ATOM 27 CG GLU A 4 0.412 -7.935 -9.719 1.00 62.21 C ATOM 28 CD GLU A 4 0.613 -6.911 -10.801 1.00 53.33 C ATOM 29 OE1 GLU A 4 1.700 -6.257 -10.797 1.00 15.14 O ATOM 30 OE2 GLU A 4 -0.300 -6.680 -11.585 1.00 61.21 O ATOM 0 H GLU A 4 1.122 -6.152 -6.478 1.00 71.30 H new ATOM 0 HA GLU A 4 -0.366 -8.521 -7.141 1.00 63.11 H new ATOM 0 HB2 GLU A 4 0.206 -6.373 -8.377 1.00 41.22 H new ATOM 0 HB3 GLU A 4 1.831 -7.011 -8.528 1.00 41.22 H new ATOM 0 HG2 GLU A 4 1.029 -8.815 -9.901 1.00 62.21 H new ATOM 0 HG3 GLU A 4 -0.624 -8.272 -9.693 1.00 62.21 H new ATOM 31 N ASP A 5 2.907 -8.949 -7.112 1.00 32.14 N ATOM 32 CA ASP A 5 3.880 -10.041 -6.962 1.00 15.34 C ATOM 33 C ASP A 5 3.920 -10.419 -5.504 1.00 13.33 C ATOM 34 O ASP A 5 4.127 -11.573 -5.147 1.00 3.20 O ATOM 35 CB ASP A 5 5.300 -9.709 -7.474 1.00 1.50 C ATOM 36 CG ASP A 5 6.212 -10.967 -7.568 1.00 32.32 C ATOM 37 OD1 ASP A 5 6.817 -11.367 -6.544 1.00 45.44 O ATOM 38 OD2 ASP A 5 6.319 -11.572 -8.696 1.00 65.44 O ATOM 0 H ASP A 5 3.311 -8.024 -7.261 1.00 32.14 H new ATOM 0 HA ASP A 5 3.548 -10.869 -7.588 1.00 15.34 H new ATOM 0 HB2 ASP A 5 5.228 -9.243 -8.457 1.00 1.50 H new ATOM 0 HB3 ASP A 5 5.761 -8.980 -6.808 1.00 1.50 H new ATOM 39 N TRP A 6 3.624 -9.418 -4.653 1.00 22.44 N ATOM 40 CA TRP A 6 3.492 -9.638 -3.209 1.00 53.44 C ATOM 41 C TRP A 6 2.495 -10.790 -2.924 1.00 55.12 C ATOM 42 O TRP A 6 2.810 -11.760 -2.224 1.00 2.31 O ATOM 43 CB TRP A 6 3.040 -8.315 -2.541 1.00 62.20 C ATOM 44 CG TRP A 6 2.360 -8.438 -1.193 1.00 72.13 C ATOM 45 CD1 TRP A 6 1.038 -8.203 -0.932 1.00 61.15 C ATOM 46 CD2 TRP A 6 2.947 -8.822 0.057 1.00 71.42 C ATOM 47 NE1 TRP A 6 0.774 -8.402 0.394 1.00 64.22 N ATOM 48 CE2 TRP A 6 1.926 -8.787 1.025 1.00 0.41 C ATOM 49 CE3 TRP A 6 4.225 -9.189 0.450 1.00 1.34 C ATOM 50 CZ2 TRP A 6 2.153 -9.104 2.362 1.00 61.45 C ATOM 51 CZ3 TRP A 6 4.454 -9.506 1.774 1.00 60.22 C ATOM 52 CH2 TRP A 6 3.423 -9.461 2.717 1.00 51.34 C ATOM 0 H TRP A 6 3.473 -8.452 -4.945 1.00 22.44 H new ATOM 0 HA TRP A 6 4.453 -9.934 -2.789 1.00 53.44 H new ATOM 0 HB2 TRP A 6 3.915 -7.675 -2.425 1.00 62.20 H new ATOM 0 HB3 TRP A 6 2.359 -7.804 -3.222 1.00 62.20 H new ATOM 0 HD1 TRP A 6 0.307 -7.903 -1.669 1.00 61.15 H new ATOM 0 HE1 TRP A 6 -0.135 -8.283 0.841 1.00 64.22 H new ATOM 0 HE3 TRP A 6 5.030 -9.226 -0.269 1.00 1.34 H new ATOM 0 HZ2 TRP A 6 1.356 -9.069 3.090 1.00 61.45 H new ATOM 0 HZ3 TRP A 6 5.447 -9.794 2.087 1.00 60.22 H new ATOM 0 HH2 TRP A 6 3.634 -9.713 3.746 1.00 51.34 H new ATOM 53 N SER A 7 1.330 -10.704 -3.539 1.00 63.13 N ATOM 54 CA SER A 7 0.269 -11.672 -3.362 1.00 44.24 C ATOM 55 C SER A 7 0.566 -13.038 -3.966 1.00 35.53 C ATOM 56 O SER A 7 -0.123 -14.005 -3.649 1.00 22.55 O ATOM 57 CB SER A 7 -1.056 -11.137 -3.849 1.00 33.14 C ATOM 58 OG SER A 7 -1.423 -9.977 -3.109 1.00 75.33 O ATOM 0 H SER A 7 1.093 -9.949 -4.183 1.00 63.13 H new ATOM 0 HA SER A 7 0.204 -11.833 -2.286 1.00 44.24 H new ATOM 0 HB2 SER A 7 -0.990 -10.894 -4.910 1.00 33.14 H new ATOM 0 HB3 SER A 7 -1.825 -11.902 -3.744 1.00 33.14 H new ATOM 0 HG SER A 7 -0.930 -9.202 -3.451 1.00 75.33 H new ATOM 59 N ARG A 8 1.569 -13.127 -4.843 1.00 22.42 N ATOM 60 CA ARG A 8 1.914 -14.417 -5.459 1.00 3.22 C ATOM 61 C ARG A 8 2.333 -15.388 -4.372 1.00 21.21 C ATOM 62 O ARG A 8 2.032 -16.566 -4.426 1.00 63.11 O ATOM 63 CB ARG A 8 3.082 -14.298 -6.454 1.00 23.01 C ATOM 64 CG ARG A 8 2.914 -13.312 -7.601 1.00 60.42 C ATOM 65 CD ARG A 8 1.728 -13.590 -8.501 1.00 72.23 C ATOM 66 NE ARG A 8 0.531 -12.853 -8.067 1.00 62.52 N ATOM 67 CZ ARG A 8 -0.721 -13.107 -8.462 1.00 64.21 C ATOM 68 NH1 ARG A 8 -0.974 -14.110 -9.313 1.00 72.43 N ATOM 69 NH2 ARG A 8 -1.722 -12.334 -8.020 1.00 30.40 N ATOM 0 H ARG A 8 2.148 -12.341 -5.140 1.00 22.42 H new ATOM 0 HA ARG A 8 1.032 -14.763 -5.998 1.00 3.22 H new ATOM 0 HB2 ARG A 8 3.976 -14.019 -5.896 1.00 23.01 H new ATOM 0 HB3 ARG A 8 3.267 -15.284 -6.879 1.00 23.01 H new ATOM 0 HG2 ARG A 8 2.813 -12.308 -7.188 1.00 60.42 H new ATOM 0 HG3 ARG A 8 3.821 -13.319 -8.205 1.00 60.42 H new ATOM 0 HD2 ARG A 8 1.975 -13.311 -9.525 1.00 72.23 H new ATOM 0 HD3 ARG A 8 1.516 -14.659 -8.504 1.00 72.23 H new ATOM 0 HE ARG A 8 0.667 -12.085 -7.410 1.00 62.52 H new ATOM 0 HH11 ARG A 8 -0.209 -14.686 -9.664 1.00 72.43 H new ATOM 0 HH12 ARG A 8 -1.932 -14.298 -9.610 1.00 72.43 H new ATOM 0 HH21 ARG A 8 -1.526 -11.559 -7.387 1.00 30.40 H new ATOM 0 HH22 ARG A 8 -2.680 -12.521 -8.317 1.00 30.40 H new ATOM 70 N CYS A 9 2.988 -14.855 -3.366 1.00 20.23 N ATOM 71 CA CYS A 9 3.525 -15.646 -2.307 1.00 30.13 C ATOM 72 C CYS A 9 2.793 -15.379 -0.992 1.00 64.23 C ATOM 73 O CYS A 9 3.161 -15.910 0.049 1.00 72.34 O ATOM 74 CB CYS A 9 4.991 -15.294 -2.177 1.00 4.22 C ATOM 75 SG CYS A 9 5.883 -15.352 -3.776 1.00 54.14 S ATOM 0 H CYS A 9 3.159 -13.854 -3.268 1.00 20.23 H new ATOM 0 HA CYS A 9 3.400 -16.705 -2.532 1.00 30.13 H new ATOM 0 HB2 CYS A 9 5.083 -14.295 -1.751 1.00 4.22 H new ATOM 0 HB3 CYS A 9 5.464 -15.983 -1.478 1.00 4.22 H new ATOM 76 N SER A 10 1.747 -14.581 -1.043 1.00 11.42 N ATOM 77 CA SER A 10 1.010 -14.263 0.153 1.00 42.12 C ATOM 78 C SER A 10 -0.398 -14.858 0.054 1.00 5.02 C ATOM 79 O SER A 10 -0.879 -15.098 -1.054 1.00 23.34 O ATOM 80 CB SER A 10 0.969 -12.743 0.358 1.00 44.33 C ATOM 81 OG SER A 10 2.279 -12.214 0.416 1.00 45.32 O ATOM 0 H SER A 10 1.393 -14.146 -1.895 1.00 11.42 H new ATOM 0 HA SER A 10 1.505 -14.698 1.021 1.00 42.12 H new ATOM 0 HB2 SER A 10 0.418 -12.275 -0.458 1.00 44.33 H new ATOM 0 HB3 SER A 10 0.435 -12.509 1.279 1.00 44.33 H new ATOM 0 HG SER A 10 2.613 -12.067 -0.494 1.00 45.32 H new ATOM 82 N PRO A 11 -1.089 -15.098 1.203 1.00 52.30 N ATOM 83 CA PRO A 11 -2.443 -15.723 1.234 1.00 63.14 C ATOM 84 C PRO A 11 -3.533 -14.929 0.486 1.00 74.53 C ATOM 85 O PRO A 11 -4.666 -15.372 0.395 1.00 4.51 O ATOM 86 CB PRO A 11 -2.775 -15.787 2.732 1.00 52.33 C ATOM 87 CG PRO A 11 -1.461 -15.706 3.422 1.00 3.45 C ATOM 88 CD PRO A 11 -0.605 -14.817 2.572 1.00 72.50 C ATOM 0 HA PRO A 11 -2.426 -16.687 0.726 1.00 63.14 H new ATOM 0 HB2 PRO A 11 -3.427 -14.965 3.027 1.00 52.33 H new ATOM 0 HB3 PRO A 11 -3.295 -16.712 2.982 1.00 52.33 H new ATOM 0 HG2 PRO A 11 -1.572 -15.297 4.426 1.00 3.45 H new ATOM 0 HG3 PRO A 11 -1.014 -16.694 3.528 1.00 3.45 H new ATOM 0 HD2 PRO A 11 -0.728 -13.767 2.836 1.00 72.50 H new ATOM 0 HD3 PRO A 11 0.454 -15.051 2.682 1.00 72.50 H new ATOM 89 N SER A 12 -3.183 -13.777 -0.034 1.00 63.30 N ATOM 90 CA SER A 12 -4.088 -12.960 -0.785 1.00 74.11 C ATOM 91 C SER A 12 -4.273 -13.496 -2.223 1.00 22.13 C ATOM 92 O SER A 12 -5.153 -13.053 -2.957 1.00 53.41 O ATOM 93 CB SER A 12 -3.567 -11.532 -0.758 1.00 12.25 C ATOM 94 OG SER A 12 -2.147 -11.528 -0.905 1.00 3.41 O ATOM 0 H SER A 12 -2.248 -13.381 0.057 1.00 63.30 H new ATOM 0 HA SER A 12 -5.080 -12.986 -0.335 1.00 74.11 H new ATOM 0 HB2 SER A 12 -4.026 -10.954 -1.560 1.00 12.25 H new ATOM 0 HB3 SER A 12 -3.845 -11.052 0.180 1.00 12.25 H new ATOM 0 HG SER A 12 -1.889 -10.862 -1.576 1.00 3.41 H new ATOM 95 N THR A 13 -3.416 -14.426 -2.625 1.00 15.41 N ATOM 96 CA THR A 13 -3.544 -15.090 -3.911 1.00 43.31 C ATOM 97 C THR A 13 -2.900 -16.483 -3.842 1.00 24.44 C ATOM 98 O THR A 13 -3.514 -17.475 -4.224 1.00 13.20 O ATOM 99 CB THR A 13 -2.903 -14.273 -5.071 1.00 45.30 C ATOM 100 OG1 THR A 13 -3.453 -12.944 -5.113 1.00 14.10 O ATOM 101 CG2 THR A 13 -3.166 -14.950 -6.407 1.00 73.22 C ATOM 0 H THR A 13 -2.618 -14.738 -2.071 1.00 15.41 H new ATOM 0 HA THR A 13 -4.609 -15.177 -4.125 1.00 43.31 H new ATOM 0 HB THR A 13 -1.829 -14.222 -4.890 1.00 45.30 H new ATOM 0 HG1 THR A 13 -4.196 -12.877 -4.478 1.00 14.10 H new ATOM 0 HG21 THR A 13 -2.711 -14.366 -7.207 1.00 73.22 H new ATOM 0 HG22 THR A 13 -2.735 -15.951 -6.399 1.00 73.22 H new ATOM 0 HG23 THR A 13 -4.241 -15.019 -6.574 1.00 73.22 H new ATOM 102 N ALA A 14 -1.636 -16.527 -3.377 1.00 22.41 N ATOM 103 CA ALA A 14 -0.859 -17.780 -3.188 1.00 52.22 C ATOM 104 C ALA A 14 -0.638 -18.541 -4.505 1.00 21.40 C ATOM 105 O ALA A 14 -0.259 -19.709 -4.511 1.00 31.22 O ATOM 106 CB ALA A 14 -1.515 -18.674 -2.131 1.00 64.42 C ATOM 0 H ALA A 14 -1.116 -15.689 -3.118 1.00 22.41 H new ATOM 0 HA ALA A 14 0.129 -17.492 -2.828 1.00 52.22 H new ATOM 0 HB1 ALA A 14 -0.929 -19.585 -2.010 1.00 64.42 H new ATOM 0 HB2 ALA A 14 -1.559 -18.142 -1.181 1.00 64.42 H new ATOM 0 HB3 ALA A 14 -2.525 -18.932 -2.449 1.00 64.42 H new ATOM 107 N SER A 15 -0.838 -17.864 -5.604 1.00 4.54 N ATOM 108 CA SER A 15 -0.674 -18.455 -6.892 1.00 24.33 C ATOM 109 C SER A 15 0.517 -17.816 -7.591 1.00 71.13 C ATOM 110 O SER A 15 0.534 -16.590 -7.817 1.00 72.50 O ATOM 111 CB SER A 15 -1.943 -18.255 -7.714 1.00 63.12 C ATOM 112 OG SER A 15 -3.085 -18.698 -6.995 1.00 75.05 O ATOM 0 H SER A 15 -1.120 -16.884 -5.624 1.00 4.54 H new ATOM 0 HA SER A 15 -0.492 -19.524 -6.786 1.00 24.33 H new ATOM 0 HB2 SER A 15 -2.054 -17.201 -7.969 1.00 63.12 H new ATOM 0 HB3 SER A 15 -1.864 -18.803 -8.653 1.00 63.12 H new ATOM 0 HG SER A 15 -3.211 -18.135 -6.203 1.00 75.05 H new ATOM 113 N ALA A 16 1.511 -18.628 -7.896 1.00 54.41 N ATOM 114 CA ALA A 16 2.699 -18.179 -8.592 1.00 14.55 C ATOM 115 C ALA A 16 2.349 -17.777 -10.019 1.00 72.23 C ATOM 116 O ALA A 16 1.413 -18.316 -10.623 1.00 20.14 O ATOM 117 CB ALA A 16 3.759 -19.270 -8.587 1.00 32.14 C ATOM 0 H ALA A 16 1.516 -19.622 -7.666 1.00 54.41 H new ATOM 0 HA ALA A 16 3.102 -17.308 -8.075 1.00 14.55 H new ATOM 0 HB1 ALA A 16 4.646 -18.918 -9.114 1.00 32.14 H new ATOM 0 HB2 ALA A 16 4.022 -19.517 -7.558 1.00 32.14 H new ATOM 0 HB3 ALA A 16 3.370 -20.158 -9.085 1.00 32.14 H new ATOM 118 N THR A 17 3.040 -16.809 -10.534 1.00 1.31 N ATOM 119 CA THR A 17 2.807 -16.322 -11.869 1.00 44.43 C ATOM 120 C THR A 17 4.130 -15.808 -12.452 1.00 52.34 C ATOM 121 O THR A 17 4.717 -14.860 -11.926 1.00 51.43 O ATOM 122 CB THR A 17 1.759 -15.178 -11.846 1.00 53.51 C ATOM 123 OG1 THR A 17 0.594 -15.610 -11.101 1.00 2.03 O ATOM 124 CG2 THR A 17 1.330 -14.802 -13.262 1.00 31.44 C ATOM 0 H THR A 17 3.790 -16.326 -10.040 1.00 1.31 H new ATOM 0 HA THR A 17 2.422 -17.132 -12.489 1.00 44.43 H new ATOM 0 HB THR A 17 2.212 -14.306 -11.373 1.00 53.51 H new ATOM 0 HG1 THR A 17 -0.217 -15.290 -11.548 1.00 2.03 H new ATOM 0 HG21 THR A 17 0.595 -13.998 -13.218 1.00 31.44 H new ATOM 0 HG22 THR A 17 2.199 -14.469 -13.829 1.00 31.44 H new ATOM 0 HG23 THR A 17 0.889 -15.670 -13.751 1.00 31.44 H new ATOM 125 N GLY A 18 4.595 -16.443 -13.510 1.00 41.11 N ATOM 126 CA GLY A 18 5.847 -16.064 -14.104 1.00 40.34 C ATOM 127 C GLY A 18 5.675 -15.460 -15.478 1.00 3.43 C ATOM 128 O GLY A 18 5.314 -16.150 -16.418 1.00 14.24 O ATOM 0 H GLY A 18 4.121 -17.221 -13.970 1.00 41.11 H new ATOM 0 HA2 GLY A 18 6.351 -15.347 -13.456 1.00 40.34 H new ATOM 0 HA3 GLY A 18 6.493 -16.940 -14.174 1.00 40.34 H new ATOM 129 N VAL A 19 5.907 -14.166 -15.565 1.00 51.11 N ATOM 130 CA VAL A 19 5.866 -13.406 -16.808 1.00 10.10 C ATOM 131 C VAL A 19 6.469 -11.993 -16.593 1.00 40.32 C ATOM 132 O VAL A 19 7.678 -11.812 -16.744 1.00 20.02 O ATOM 133 CB VAL A 19 4.443 -13.417 -17.528 1.00 63.24 C ATOM 134 CG1 VAL A 19 3.279 -13.031 -16.606 1.00 71.13 C ATOM 135 CG2 VAL A 19 4.450 -12.560 -18.795 1.00 24.40 C ATOM 0 H VAL A 19 6.136 -13.593 -14.753 1.00 51.11 H new ATOM 0 HA VAL A 19 6.502 -13.918 -17.530 1.00 10.10 H new ATOM 0 HB VAL A 19 4.268 -14.455 -17.812 1.00 63.24 H new ATOM 0 HG11 VAL A 19 2.345 -13.061 -17.167 1.00 71.13 H new ATOM 0 HG12 VAL A 19 3.226 -13.733 -15.774 1.00 71.13 H new ATOM 0 HG13 VAL A 19 3.438 -12.024 -16.221 1.00 71.13 H new ATOM 0 HG21 VAL A 19 3.465 -12.590 -19.260 1.00 24.40 H new ATOM 0 HG22 VAL A 19 4.698 -11.531 -18.537 1.00 24.40 H new ATOM 0 HG23 VAL A 19 5.192 -12.948 -19.492 1.00 24.40 H new ATOM 136 N LEU A 20 5.671 -11.025 -16.164 1.00 0.23 N ATOM 137 CA LEU A 20 6.194 -9.693 -15.842 1.00 0.14 C ATOM 138 C LEU A 20 6.620 -9.699 -14.402 1.00 20.14 C ATOM 139 O LEU A 20 7.411 -8.890 -13.948 1.00 50.54 O ATOM 140 CB LEU A 20 5.132 -8.610 -16.067 1.00 65.13 C ATOM 141 CG LEU A 20 4.576 -8.475 -17.489 1.00 20.43 C ATOM 142 CD1 LEU A 20 3.511 -7.393 -17.536 1.00 63.11 C ATOM 143 CD2 LEU A 20 5.690 -8.168 -18.484 1.00 75.33 C ATOM 0 H LEU A 20 4.665 -11.130 -16.030 1.00 0.23 H new ATOM 0 HA LEU A 20 7.037 -9.466 -16.495 1.00 0.14 H new ATOM 0 HB2 LEU A 20 4.298 -8.806 -15.393 1.00 65.13 H new ATOM 0 HB3 LEU A 20 5.558 -7.650 -15.776 1.00 65.13 H new ATOM 0 HG LEU A 20 4.124 -9.426 -17.770 1.00 20.43 H new ATOM 0 HD11 LEU A 20 3.124 -7.307 -18.551 1.00 63.11 H new ATOM 0 HD12 LEU A 20 2.698 -7.653 -16.859 1.00 63.11 H new ATOM 0 HD13 LEU A 20 3.946 -6.441 -17.232 1.00 63.11 H new ATOM 0 HD21 LEU A 20 5.269 -8.077 -19.485 1.00 75.33 H new ATOM 0 HD22 LEU A 20 6.176 -7.232 -18.209 1.00 75.33 H new ATOM 0 HD23 LEU A 20 6.423 -8.975 -18.470 1.00 75.33 H new ATOM 144 N TRP A 21 6.097 -10.666 -13.734 1.00 4.23 N ATOM 145 CA TRP A 21 6.304 -10.927 -12.338 1.00 22.31 C ATOM 146 C TRP A 21 6.926 -12.288 -12.298 1.00 20.50 C ATOM 147 O TRP A 21 6.931 -12.978 -13.337 1.00 3.31 O ATOM 148 CB TRP A 21 4.946 -10.947 -11.637 1.00 64.25 C ATOM 149 CG TRP A 21 4.106 -9.803 -12.075 1.00 72.11 C ATOM 150 CD1 TRP A 21 4.271 -8.497 -11.747 1.00 32.11 C ATOM 151 CD2 TRP A 21 2.993 -9.862 -12.971 1.00 23.54 C ATOM 152 NE1 TRP A 21 3.335 -7.739 -12.380 1.00 42.23 N ATOM 153 CE2 TRP A 21 2.529 -8.556 -13.133 1.00 61.34 C ATOM 154 CE3 TRP A 21 2.344 -10.900 -13.643 1.00 65.45 C ATOM 155 CZ2 TRP A 21 1.442 -8.247 -13.949 1.00 3.14 C ATOM 156 CZ3 TRP A 21 1.266 -10.596 -14.450 1.00 52.45 C ATOM 157 CH2 TRP A 21 0.825 -9.278 -14.596 1.00 52.42 C ATOM 0 H TRP A 21 5.471 -11.344 -14.169 1.00 4.23 H new ATOM 0 HA TRP A 21 6.927 -10.180 -11.846 1.00 22.31 H new ATOM 0 HB2 TRP A 21 4.434 -11.884 -11.855 1.00 64.25 H new ATOM 0 HB3 TRP A 21 5.089 -10.906 -10.557 1.00 64.25 H new ATOM 0 HD1 TRP A 21 5.032 -8.116 -11.082 1.00 32.11 H new ATOM 0 HE1 TRP A 21 3.246 -6.726 -12.307 1.00 42.23 H new ATOM 0 HE3 TRP A 21 2.679 -11.921 -13.533 1.00 65.45 H new ATOM 0 HZ2 TRP A 21 1.101 -7.229 -14.065 1.00 3.14 H new ATOM 0 HZ3 TRP A 21 0.756 -11.389 -14.977 1.00 52.45 H new ATOM 0 HH2 TRP A 21 -0.022 -9.071 -15.234 1.00 52.42 H new ATOM 158 N ARG A 22 7.468 -12.695 -11.201 1.00 44.25 N ATOM 159 CA ARG A 22 8.133 -13.991 -11.171 1.00 63.54 C ATOM 160 C ARG A 22 7.664 -14.839 -10.079 1.00 4.52 C ATOM 161 O ARG A 22 7.806 -16.061 -10.168 1.00 62.34 O ATOM 162 CB ARG A 22 9.650 -13.845 -11.074 1.00 72.31 C ATOM 163 CG ARG A 22 10.262 -13.105 -12.259 1.00 4.43 C ATOM 164 CD ARG A 22 10.130 -13.903 -13.561 1.00 13.22 C ATOM 165 NE ARG A 22 9.897 -13.022 -14.715 1.00 20.52 N ATOM 166 CZ ARG A 22 10.836 -12.517 -15.527 1.00 10.02 C ATOM 167 NH1 ARG A 22 12.104 -12.863 -15.398 1.00 25.34 N ATOM 168 NH2 ARG A 22 10.486 -11.704 -16.507 1.00 31.22 N ATOM 0 H ARG A 22 7.475 -12.177 -10.322 1.00 44.25 H new ATOM 0 HA ARG A 22 7.876 -14.473 -12.114 1.00 63.54 H new ATOM 0 HB2 ARG A 22 9.899 -13.314 -10.155 1.00 72.31 H new ATOM 0 HB3 ARG A 22 10.099 -14.835 -11.002 1.00 72.31 H new ATOM 0 HG2 ARG A 22 9.773 -12.138 -12.375 1.00 4.43 H new ATOM 0 HG3 ARG A 22 11.315 -12.908 -12.059 1.00 4.43 H new ATOM 0 HD2 ARG A 22 11.037 -14.486 -13.725 1.00 13.22 H new ATOM 0 HD3 ARG A 22 9.307 -14.612 -13.472 1.00 13.22 H new ATOM 0 HE ARG A 22 8.929 -12.771 -14.917 1.00 20.52 H new ATOM 0 HH11 ARG A 22 12.381 -13.524 -14.672 1.00 25.34 H new ATOM 0 HH12 ARG A 22 12.806 -12.469 -16.024 1.00 25.34 H new ATOM 0 HH21 ARG A 22 9.504 -11.463 -16.643 1.00 31.22 H new ATOM 0 HH22 ARG A 22 11.197 -11.317 -17.127 1.00 31.22 H new ATOM 169 N SER A 23 7.058 -14.204 -9.072 1.00 15.33 N ATOM 170 CA SER A 23 6.801 -14.804 -7.818 1.00 70.32 C ATOM 171 C SER A 23 8.146 -15.135 -7.260 1.00 10.10 C ATOM 172 O SER A 23 8.777 -16.146 -7.598 1.00 52.34 O ATOM 173 CB SER A 23 5.938 -15.989 -7.929 1.00 74.02 C ATOM 174 OG SER A 23 4.821 -15.688 -8.757 1.00 33.34 O ATOM 0 H SER A 23 6.737 -13.238 -9.136 1.00 15.33 H new ATOM 0 HA SER A 23 6.249 -14.132 -7.162 1.00 70.32 H new ATOM 0 HB2 SER A 23 6.500 -16.823 -8.348 1.00 74.02 H new ATOM 0 HB3 SER A 23 5.598 -16.298 -6.941 1.00 74.02 H new ATOM 0 HG SER A 23 5.129 -15.507 -9.670 1.00 33.34 H new ATOM 175 N CYS A 24 8.580 -14.259 -6.468 1.00 34.40 N ATOM 176 CA CYS A 24 9.975 -14.181 -6.039 1.00 64.42 C ATOM 177 C CYS A 24 10.603 -15.497 -5.570 1.00 52.32 C ATOM 178 O CYS A 24 11.727 -15.819 -5.982 1.00 73.55 O ATOM 179 CB CYS A 24 10.204 -13.072 -5.040 1.00 72.22 C ATOM 180 SG CYS A 24 11.927 -12.933 -4.507 1.00 32.20 S ATOM 0 H CYS A 24 7.988 -13.533 -6.063 1.00 34.40 H new ATOM 0 HA CYS A 24 10.510 -13.938 -6.957 1.00 64.42 H new ATOM 0 HB2 CYS A 24 9.890 -12.126 -5.480 1.00 72.22 H new ATOM 0 HB3 CYS A 24 9.574 -13.243 -4.167 1.00 72.22 H new ATOM 181 N ASP A 25 9.893 -16.291 -4.780 1.00 72.22 N ATOM 182 CA ASP A 25 10.492 -17.538 -4.305 1.00 5.15 C ATOM 183 C ASP A 25 10.742 -18.504 -5.452 1.00 51.04 C ATOM 184 O ASP A 25 11.740 -19.216 -5.458 1.00 60.41 O ATOM 185 CB ASP A 25 9.690 -18.218 -3.195 1.00 62.22 C ATOM 186 CG ASP A 25 10.516 -19.312 -2.522 1.00 3.42 C ATOM 187 OD1 ASP A 25 11.350 -18.985 -1.644 1.00 24.23 O ATOM 188 OD2 ASP A 25 10.401 -20.501 -2.881 1.00 24.22 O ATOM 0 H ASP A 25 8.941 -16.109 -4.463 1.00 72.22 H new ATOM 0 HA ASP A 25 11.449 -17.255 -3.866 1.00 5.15 H new ATOM 0 HB2 ASP A 25 9.386 -17.478 -2.455 1.00 62.22 H new ATOM 0 HB3 ASP A 25 8.778 -18.648 -3.610 1.00 62.22 H new ATOM 189 N SER A 26 9.910 -18.429 -6.490 1.00 63.32 N ATOM 190 CA SER A 26 10.035 -19.328 -7.599 1.00 43.13 C ATOM 191 C SER A 26 11.253 -18.899 -8.405 1.00 41.22 C ATOM 192 O SER A 26 12.108 -19.716 -8.752 1.00 64.22 O ATOM 193 CB SER A 26 8.757 -19.284 -8.436 1.00 54.34 C ATOM 194 OG SER A 26 7.622 -19.519 -7.607 1.00 34.53 O ATOM 0 H SER A 26 9.151 -17.753 -6.571 1.00 63.32 H new ATOM 0 HA SER A 26 10.170 -20.357 -7.266 1.00 43.13 H new ATOM 0 HB2 SER A 26 8.666 -18.314 -8.925 1.00 54.34 H new ATOM 0 HB3 SER A 26 8.803 -20.035 -9.225 1.00 54.34 H new ATOM 0 HG SER A 26 6.807 -19.487 -8.151 1.00 34.53 H new ATOM 195 N TYR A 27 11.338 -17.595 -8.649 1.00 21.12 N ATOM 196 CA TYR A 27 12.483 -16.976 -9.294 1.00 1.02 C ATOM 197 C TYR A 27 13.785 -17.348 -8.594 1.00 5.03 C ATOM 198 O TYR A 27 14.698 -17.888 -9.217 1.00 14.15 O ATOM 199 CB TYR A 27 12.308 -15.479 -9.242 1.00 14.35 C ATOM 200 CG TYR A 27 13.410 -14.675 -9.909 1.00 31.41 C ATOM 201 CD1 TYR A 27 13.606 -14.752 -11.277 1.00 5.21 C ATOM 202 CD2 TYR A 27 14.240 -13.840 -9.178 1.00 72.10 C ATOM 203 CE1 TYR A 27 14.590 -14.027 -11.901 1.00 30.02 C ATOM 204 CE2 TYR A 27 15.234 -13.108 -9.798 1.00 64.24 C ATOM 205 CZ TYR A 27 15.406 -13.205 -11.159 1.00 71.10 C ATOM 206 OH TYR A 27 16.384 -12.463 -11.785 1.00 25.43 O ATOM 0 H TYR A 27 10.603 -16.933 -8.400 1.00 21.12 H new ATOM 0 HA TYR A 27 12.538 -17.330 -10.323 1.00 1.02 H new ATOM 0 HB2 TYR A 27 11.359 -15.224 -9.713 1.00 14.35 H new ATOM 0 HB3 TYR A 27 12.239 -15.174 -8.198 1.00 14.35 H new ATOM 0 HD1 TYR A 27 12.971 -15.397 -11.866 1.00 5.21 H new ATOM 0 HD2 TYR A 27 14.108 -13.760 -8.109 1.00 72.10 H new ATOM 0 HE1 TYR A 27 14.723 -14.102 -12.970 1.00 30.02 H new ATOM 0 HE2 TYR A 27 15.874 -12.462 -9.216 1.00 64.24 H new ATOM 0 HH TYR A 27 16.871 -11.935 -11.118 1.00 25.43 H new ATOM 207 N CYS A 28 13.854 -17.075 -7.310 1.00 74.40 N ATOM 208 CA CYS A 28 15.033 -17.319 -6.532 1.00 41.14 C ATOM 209 C CYS A 28 15.435 -18.776 -6.493 1.00 54.30 C ATOM 210 O CYS A 28 16.629 -19.076 -6.531 1.00 15.33 O ATOM 211 CB CYS A 28 14.894 -16.765 -5.133 1.00 62.33 C ATOM 212 SG CYS A 28 14.857 -14.966 -5.042 1.00 10.25 S ATOM 0 H CYS A 28 13.082 -16.674 -6.778 1.00 74.40 H new ATOM 0 HA CYS A 28 15.839 -16.789 -7.040 1.00 41.14 H new ATOM 0 HB2 CYS A 28 13.979 -17.157 -4.690 1.00 62.33 H new ATOM 0 HB3 CYS A 28 15.724 -17.130 -4.527 1.00 62.33 H new ATOM 213 N LYS A 29 14.464 -19.682 -6.461 1.00 25.25 N ATOM 214 CA LYS A 29 14.778 -21.108 -6.408 1.00 22.11 C ATOM 215 C LYS A 29 15.422 -21.564 -7.695 1.00 54.43 C ATOM 216 O LYS A 29 16.462 -22.207 -7.699 1.00 51.01 O ATOM 217 CB LYS A 29 13.532 -21.969 -6.140 1.00 33.45 C ATOM 218 CG LYS A 29 12.969 -21.905 -4.726 1.00 15.21 C ATOM 219 CD LYS A 29 14.048 -22.170 -3.706 1.00 35.23 C ATOM 220 CE LYS A 29 13.483 -22.447 -2.312 1.00 23.21 C ATOM 221 NZ LYS A 29 12.687 -21.331 -1.771 1.00 71.11 N ATOM 0 H LYS A 29 13.468 -19.462 -6.471 1.00 25.25 H new ATOM 0 HA LYS A 29 15.473 -21.240 -5.579 1.00 22.11 H new ATOM 0 HB2 LYS A 29 12.749 -21.667 -6.836 1.00 33.45 H new ATOM 0 HB3 LYS A 29 13.776 -23.007 -6.366 1.00 33.45 H new ATOM 0 HG2 LYS A 29 12.529 -20.924 -4.549 1.00 15.21 H new ATOM 0 HG3 LYS A 29 12.170 -22.638 -4.615 1.00 15.21 H new ATOM 0 HD2 LYS A 29 14.646 -23.023 -4.028 1.00 35.23 H new ATOM 0 HD3 LYS A 29 14.717 -21.311 -3.659 1.00 35.23 H new ATOM 0 HE2 LYS A 29 12.861 -23.341 -2.351 1.00 23.21 H new ATOM 0 HE3 LYS A 29 14.306 -22.660 -1.630 1.00 23.21 H new ATOM 0 HZ1 LYS A 29 12.733 -21.344 -0.732 1.00 71.11 H new ATOM 0 HZ2 LYS A 29 13.068 -20.430 -2.124 1.00 71.11 H new ATOM 0 HZ3 LYS A 29 11.697 -21.431 -2.075 1.00 71.11 H new ATOM 222 N VAL A 30 14.813 -21.184 -8.773 1.00 24.23 N ATOM 223 CA VAL A 30 15.193 -21.572 -10.053 1.00 0.30 C ATOM 224 C VAL A 30 16.471 -20.851 -10.527 1.00 1.45 C ATOM 225 O VAL A 30 17.381 -21.466 -11.092 1.00 74.52 O ATOM 226 CB VAL A 30 14.001 -21.246 -10.964 1.00 63.20 C ATOM 227 CG1 VAL A 30 14.357 -21.377 -12.377 1.00 23.31 C ATOM 228 CG2 VAL A 30 12.813 -22.125 -10.617 1.00 75.42 C ATOM 0 H VAL A 30 14.002 -20.566 -8.761 1.00 24.23 H new ATOM 0 HA VAL A 30 15.438 -22.634 -10.075 1.00 0.30 H new ATOM 0 HB VAL A 30 13.721 -20.206 -10.794 1.00 63.20 H new ATOM 0 HG11 VAL A 30 13.491 -21.139 -12.994 1.00 23.31 H new ATOM 0 HG12 VAL A 30 15.170 -20.690 -12.613 1.00 23.31 H new ATOM 0 HG13 VAL A 30 14.676 -22.400 -12.579 1.00 23.31 H new ATOM 0 HG21 VAL A 30 11.976 -21.881 -11.272 1.00 75.42 H new ATOM 0 HG22 VAL A 30 13.084 -23.172 -10.749 1.00 75.42 H new ATOM 0 HG23 VAL A 30 12.524 -21.953 -9.580 1.00 75.42 H new ATOM 229 N CYS A 31 16.542 -19.576 -10.278 1.00 1.33 N ATOM 230 CA CYS A 31 17.612 -18.767 -10.815 1.00 33.42 C ATOM 231 C CYS A 31 18.913 -18.826 -10.004 1.00 61.12 C ATOM 232 O CYS A 31 19.913 -19.360 -10.477 1.00 72.11 O ATOM 233 CB CYS A 31 17.149 -17.327 -11.014 1.00 5.11 C ATOM 234 SG CYS A 31 18.036 -16.468 -12.330 1.00 1.31 S ATOM 0 H CYS A 31 15.871 -19.066 -9.704 1.00 1.33 H new ATOM 0 HA CYS A 31 17.859 -19.202 -11.784 1.00 33.42 H new ATOM 0 HB2 CYS A 31 16.083 -17.323 -11.241 1.00 5.11 H new ATOM 0 HB3 CYS A 31 17.278 -16.779 -10.081 1.00 5.11 H new ATOM 235 N PHE A 32 18.881 -18.334 -8.788 1.00 41.43 N ATOM 236 CA PHE A 32 20.110 -18.177 -7.966 1.00 62.24 C ATOM 237 C PHE A 32 20.230 -19.295 -6.954 1.00 33.13 C ATOM 238 O PHE A 32 21.152 -19.319 -6.139 1.00 2.20 O ATOM 239 CB PHE A 32 20.062 -16.870 -7.181 1.00 72.43 C ATOM 240 CG PHE A 32 19.875 -15.614 -7.981 1.00 51.13 C ATOM 241 CD1 PHE A 32 18.622 -15.229 -8.428 1.00 62.42 C ATOM 242 CD2 PHE A 32 20.951 -14.799 -8.255 1.00 43.45 C ATOM 243 CE1 PHE A 32 18.455 -14.062 -9.133 1.00 11.14 C ATOM 244 CE2 PHE A 32 20.788 -13.630 -8.963 1.00 30.20 C ATOM 245 CZ PHE A 32 19.537 -13.259 -9.402 1.00 63.41 C ATOM 0 H PHE A 32 18.026 -18.028 -8.324 1.00 41.43 H new ATOM 0 HA PHE A 32 20.957 -18.190 -8.652 1.00 62.24 H new ATOM 0 HB2 PHE A 32 19.250 -16.937 -6.457 1.00 72.43 H new ATOM 0 HB3 PHE A 32 20.988 -16.778 -6.614 1.00 72.43 H new ATOM 0 HD1 PHE A 32 17.766 -15.854 -8.220 1.00 62.42 H new ATOM 0 HD2 PHE A 32 21.935 -15.081 -7.910 1.00 43.45 H new ATOM 0 HE1 PHE A 32 17.472 -13.775 -9.476 1.00 11.14 H new ATOM 0 HE2 PHE A 32 21.642 -13.003 -9.174 1.00 30.20 H new ATOM 0 HZ PHE A 32 19.407 -12.341 -9.955 1.00 63.41 H new ATOM 246 N LYS A 33 19.314 -20.224 -7.054 1.00 1.22 N ATOM 247 CA LYS A 33 19.115 -21.296 -6.104 1.00 62.42 C ATOM 248 C LYS A 33 19.177 -20.781 -4.679 1.00 44.12 C ATOM 249 O LYS A 33 20.044 -21.112 -3.897 1.00 13.44 O ATOM 250 CB LYS A 33 20.000 -22.527 -6.384 1.00 50.15 C ATOM 251 CG LYS A 33 19.742 -23.132 -7.775 1.00 31.24 C ATOM 252 CD LYS A 33 20.390 -22.299 -8.891 1.00 45.14 C ATOM 253 CE LYS A 33 20.114 -22.797 -10.302 1.00 64.11 C ATOM 254 NZ LYS A 33 20.703 -21.859 -11.309 1.00 5.43 N ATOM 0 H LYS A 33 18.656 -20.258 -7.833 1.00 1.22 H new ATOM 0 HA LYS A 33 18.102 -21.676 -6.240 1.00 62.42 H new ATOM 0 HB2 LYS A 33 21.049 -22.242 -6.304 1.00 50.15 H new ATOM 0 HB3 LYS A 33 19.816 -23.284 -5.622 1.00 50.15 H new ATOM 0 HG2 LYS A 33 20.134 -24.149 -7.807 1.00 31.24 H new ATOM 0 HG3 LYS A 33 18.668 -23.198 -7.949 1.00 31.24 H new ATOM 0 HD2 LYS A 33 20.038 -21.271 -8.809 1.00 45.14 H new ATOM 0 HD3 LYS A 33 21.468 -22.281 -8.732 1.00 45.14 H new ATOM 0 HE2 LYS A 33 20.537 -23.793 -10.432 1.00 64.11 H new ATOM 0 HE3 LYS A 33 19.039 -22.883 -10.461 1.00 64.11 H new ATOM 0 HZ1 LYS A 33 20.277 -22.037 -12.241 1.00 5.43 H new ATOM 0 HZ2 LYS A 33 20.512 -20.878 -11.023 1.00 5.43 H new ATOM 0 HZ3 LYS A 33 21.731 -22.009 -11.364 1.00 5.43 H new ATOM 255 N ALA A 34 18.310 -19.858 -4.430 1.00 4.52 N ATOM 256 CA ALA A 34 18.208 -19.198 -3.141 1.00 14.31 C ATOM 257 C ALA A 34 17.538 -20.044 -2.115 1.00 40.13 C ATOM 258 O ALA A 34 16.868 -21.023 -2.447 1.00 11.53 O ATOM 259 CB ALA A 34 17.532 -17.855 -3.254 1.00 70.44 C ATOM 0 H ALA A 34 17.634 -19.525 -5.118 1.00 4.52 H new ATOM 0 HA ALA A 34 19.231 -19.035 -2.803 1.00 14.31 H new ATOM 0 HB1 ALA A 34 17.475 -17.393 -2.269 1.00 70.44 H new ATOM 0 HB2 ALA A 34 18.106 -17.214 -3.923 1.00 70.44 H new ATOM 0 HB3 ALA A 34 16.526 -17.986 -3.652 1.00 70.44 H new ATOM 260 N ASP A 35 17.686 -19.644 -0.869 1.00 61.33 N ATOM 261 CA ASP A 35 17.120 -20.380 0.223 1.00 25.04 C ATOM 262 C ASP A 35 15.661 -20.054 0.227 1.00 23.25 C ATOM 263 O ASP A 35 14.793 -20.928 0.279 1.00 4.12 O ATOM 264 CB ASP A 35 17.773 -19.931 1.514 1.00 61.15 C ATOM 265 CG ASP A 35 17.674 -20.943 2.611 1.00 11.10 C ATOM 266 OD1 ASP A 35 18.618 -21.789 2.697 1.00 34.53 O ATOM 267 OD2 ASP A 35 16.724 -20.892 3.388 1.00 60.55 O ATOM 0 H ASP A 35 18.199 -18.806 -0.595 1.00 61.33 H new ATOM 0 HA ASP A 35 17.277 -21.454 0.126 1.00 25.04 H new ATOM 0 HB2 ASP A 35 18.824 -19.713 1.325 1.00 61.15 H new ATOM 0 HB3 ASP A 35 17.309 -19.002 1.844 1.00 61.15 H new ATOM 268 N ARG A 36 15.382 -18.776 0.055 1.00 11.02 N ATOM 269 CA ARG A 36 14.039 -18.333 -0.067 1.00 73.04 C ATOM 270 C ARG A 36 14.037 -17.083 -0.906 1.00 43.11 C ATOM 271 O ARG A 36 15.093 -16.425 -1.052 1.00 74.05 O ATOM 272 CB ARG A 36 13.387 -18.083 1.311 1.00 13.12 C ATOM 273 CG ARG A 36 13.909 -16.870 2.052 1.00 13.12 C ATOM 274 CD ARG A 36 13.275 -16.734 3.420 1.00 43.53 C ATOM 275 NE ARG A 36 13.527 -15.410 4.006 1.00 0.15 N ATOM 276 CZ ARG A 36 13.501 -15.098 5.296 1.00 3.20 C ATOM 277 NH1 ARG A 36 13.481 -16.060 6.231 1.00 65.42 N ATOM 278 NH2 ARG A 36 13.529 -13.815 5.645 1.00 24.50 N ATOM 0 H ARG A 36 16.083 -18.037 -0.001 1.00 11.02 H new ATOM 0 HA ARG A 36 13.443 -19.109 -0.547 1.00 73.04 H new ATOM 0 HB2 ARG A 36 12.312 -17.972 1.173 1.00 13.12 H new ATOM 0 HB3 ARG A 36 13.539 -18.964 1.934 1.00 13.12 H new ATOM 0 HG2 ARG A 36 14.991 -16.946 2.158 1.00 13.12 H new ATOM 0 HG3 ARG A 36 13.709 -15.972 1.467 1.00 13.12 H new ATOM 0 HD2 ARG A 36 12.200 -16.899 3.341 1.00 43.53 H new ATOM 0 HD3 ARG A 36 13.668 -17.506 4.082 1.00 43.53 H new ATOM 0 HE ARG A 36 13.744 -14.655 3.356 1.00 0.15 H new ATOM 0 HH11 ARG A 36 13.486 -17.041 5.953 1.00 65.42 H new ATOM 0 HH12 ARG A 36 13.461 -15.810 7.220 1.00 65.42 H new ATOM 0 HH21 ARG A 36 13.570 -13.092 4.927 1.00 24.50 H new ATOM 0 HH22 ARG A 36 13.510 -13.554 6.631 1.00 24.50 H new ATOM 279 N GLY A 37 12.931 -16.814 -1.507 1.00 33.24 N ATOM 280 CA GLY A 37 12.750 -15.612 -2.238 1.00 3.02 C ATOM 281 C GLY A 37 11.609 -14.859 -1.647 1.00 24.01 C ATOM 282 O GLY A 37 10.506 -15.392 -1.520 1.00 3.32 O ATOM 0 H GLY A 37 12.118 -17.430 -1.504 1.00 33.24 H new ATOM 0 HA2 GLY A 37 13.658 -15.009 -2.205 1.00 3.02 H new ATOM 0 HA3 GLY A 37 12.553 -15.834 -3.287 1.00 3.02 H new ATOM 283 N GLU A 38 11.847 -13.646 -1.282 1.00 75.44 N ATOM 284 CA GLU A 38 10.841 -12.879 -0.616 1.00 5.33 C ATOM 285 C GLU A 38 10.135 -11.932 -1.553 1.00 42.20 C ATOM 286 O GLU A 38 10.705 -10.941 -2.046 1.00 53.25 O ATOM 287 CB GLU A 38 11.431 -12.179 0.594 1.00 50.44 C ATOM 288 CG GLU A 38 11.920 -13.190 1.615 1.00 51.32 C ATOM 289 CD GLU A 38 12.541 -12.601 2.850 1.00 64.43 C ATOM 290 OE1 GLU A 38 11.842 -11.993 3.646 1.00 43.31 O ATOM 291 OE2 GLU A 38 13.739 -12.859 3.088 1.00 3.31 O ATOM 0 H GLU A 38 12.731 -13.159 -1.432 1.00 75.44 H new ATOM 0 HA GLU A 38 10.070 -13.562 -0.258 1.00 5.33 H new ATOM 0 HB2 GLU A 38 12.258 -11.540 0.283 1.00 50.44 H new ATOM 0 HB3 GLU A 38 10.680 -11.531 1.047 1.00 50.44 H new ATOM 0 HG2 GLU A 38 11.080 -13.817 1.914 1.00 51.32 H new ATOM 0 HG3 GLU A 38 12.650 -13.842 1.136 1.00 51.32 H new ATOM 292 N CYS A 39 8.906 -12.296 -1.836 1.00 42.31 N ATOM 293 CA CYS A 39 8.005 -11.548 -2.679 1.00 4.44 C ATOM 294 C CYS A 39 7.432 -10.447 -1.820 1.00 22.11 C ATOM 295 O CYS A 39 6.530 -10.685 -1.033 1.00 13.44 O ATOM 296 CB CYS A 39 6.887 -12.496 -3.140 1.00 71.10 C ATOM 297 SG CYS A 39 7.514 -14.189 -3.496 1.00 53.21 S ATOM 0 H CYS A 39 8.492 -13.154 -1.471 1.00 42.31 H new ATOM 0 HA CYS A 39 8.501 -11.131 -3.556 1.00 4.44 H new ATOM 0 HB2 CYS A 39 6.118 -12.550 -2.369 1.00 71.10 H new ATOM 0 HB3 CYS A 39 6.414 -12.090 -4.034 1.00 71.10 H new ATOM 298 N TYR A 40 7.997 -9.277 -1.910 1.00 64.52 N ATOM 299 CA TYR A 40 7.626 -8.209 -1.021 1.00 14.22 C ATOM 300 C TYR A 40 7.379 -6.967 -1.817 1.00 54.15 C ATOM 301 O TYR A 40 7.901 -6.841 -2.914 1.00 75.23 O ATOM 302 CB TYR A 40 8.770 -7.948 0.006 1.00 60.23 C ATOM 303 CG TYR A 40 9.952 -7.121 -0.544 1.00 14.24 C ATOM 304 CD1 TYR A 40 10.615 -7.516 -1.699 1.00 75.32 C ATOM 305 CD2 TYR A 40 10.430 -5.990 0.120 1.00 14.12 C ATOM 306 CE1 TYR A 40 11.707 -6.816 -2.174 1.00 15.13 C ATOM 307 CE2 TYR A 40 11.511 -5.290 -0.351 1.00 74.31 C ATOM 308 CZ TYR A 40 12.148 -5.705 -1.494 1.00 74.15 C ATOM 309 OH TYR A 40 13.245 -5.011 -1.949 1.00 12.43 O ATOM 0 H TYR A 40 8.718 -9.036 -2.591 1.00 64.52 H new ATOM 0 HA TYR A 40 6.721 -8.489 -0.482 1.00 14.22 H new ATOM 0 HB2 TYR A 40 8.353 -7.431 0.870 1.00 60.23 H new ATOM 0 HB3 TYR A 40 9.148 -8.907 0.360 1.00 60.23 H new ATOM 0 HD1 TYR A 40 10.270 -8.387 -2.236 1.00 75.32 H new ATOM 0 HD2 TYR A 40 9.938 -5.660 1.023 1.00 14.12 H new ATOM 0 HE1 TYR A 40 12.211 -7.139 -3.073 1.00 15.13 H new ATOM 0 HE2 TYR A 40 11.860 -4.414 0.176 1.00 74.31 H new ATOM 0 HH TYR A 40 13.422 -4.253 -1.354 1.00 12.43 H new ATOM 310 N ASP A 41 6.609 -6.073 -1.276 1.00 74.21 N ATOM 311 CA ASP A 41 6.403 -4.779 -1.888 1.00 34.53 C ATOM 312 C ASP A 41 7.634 -3.967 -1.763 1.00 22.33 C ATOM 313 O ASP A 41 8.174 -3.803 -0.674 1.00 20.25 O ATOM 314 CB ASP A 41 5.225 -4.069 -1.266 1.00 50.11 C ATOM 315 CG ASP A 41 5.187 -2.564 -1.491 1.00 53.32 C ATOM 316 OD1 ASP A 41 5.217 -2.122 -2.643 1.00 32.43 O ATOM 317 OD2 ASP A 41 4.983 -1.806 -0.542 1.00 14.41 O ATOM 0 H ASP A 41 6.103 -6.211 -0.401 1.00 74.21 H new ATOM 0 HA ASP A 41 6.180 -4.922 -2.945 1.00 34.53 H new ATOM 0 HB2 ASP A 41 4.308 -4.504 -1.663 1.00 50.11 H new ATOM 0 HB3 ASP A 41 5.230 -4.260 -0.193 1.00 50.11 H new ATOM 318 N SER A 42 8.110 -3.527 -2.867 1.00 31.52 N ATOM 319 CA SER A 42 9.293 -2.730 -2.895 1.00 32.33 C ATOM 320 C SER A 42 8.995 -1.243 -2.632 1.00 55.43 C ATOM 321 O SER A 42 8.416 -0.568 -3.467 1.00 54.13 O ATOM 322 CB SER A 42 10.006 -2.955 -4.208 1.00 74.12 C ATOM 323 OG SER A 42 10.528 -4.276 -4.247 1.00 74.25 O ATOM 0 H SER A 42 7.695 -3.705 -3.782 1.00 31.52 H new ATOM 0 HA SER A 42 9.952 -3.039 -2.084 1.00 32.33 H new ATOM 0 HB2 SER A 42 9.317 -2.801 -5.039 1.00 74.12 H new ATOM 0 HB3 SER A 42 10.812 -2.231 -4.324 1.00 74.12 H new ATOM 0 HG SER A 42 10.942 -4.490 -3.385 1.00 74.25 H new ATOM 324 N PRO A 43 9.418 -0.705 -1.452 1.00 3.13 N ATOM 325 CA PRO A 43 9.163 0.697 -1.072 1.00 30.10 C ATOM 326 C PRO A 43 9.883 1.685 -1.989 1.00 21.15 C ATOM 327 O PRO A 43 9.455 2.818 -2.163 1.00 3.24 O ATOM 328 CB PRO A 43 9.723 0.801 0.358 1.00 62.13 C ATOM 329 CG PRO A 43 9.860 -0.604 0.829 1.00 64.33 C ATOM 330 CD PRO A 43 10.150 -1.423 -0.391 1.00 5.04 C ATOM 0 HA PRO A 43 8.104 0.945 -1.147 1.00 30.10 H new ATOM 0 HB2 PRO A 43 10.684 1.315 0.368 1.00 62.13 H new ATOM 0 HB3 PRO A 43 9.052 1.368 1.003 1.00 62.13 H new ATOM 0 HG2 PRO A 43 10.664 -0.694 1.559 1.00 64.33 H new ATOM 0 HG3 PRO A 43 8.946 -0.942 1.318 1.00 64.33 H new ATOM 0 HD2 PRO A 43 11.219 -1.472 -0.600 1.00 5.04 H new ATOM 0 HD3 PRO A 43 9.799 -2.449 -0.282 1.00 5.04 H new ATOM 331 N SER A 44 10.956 1.231 -2.596 1.00 34.34 N ATOM 332 CA SER A 44 11.738 2.037 -3.504 1.00 64.21 C ATOM 333 C SER A 44 11.157 1.964 -4.924 1.00 43.42 C ATOM 334 O SER A 44 11.708 2.512 -5.866 1.00 60.25 O ATOM 335 CB SER A 44 13.171 1.523 -3.464 1.00 15.22 C ATOM 336 OG SER A 44 13.182 0.099 -3.570 1.00 54.53 O ATOM 0 H SER A 44 11.313 0.284 -2.472 1.00 34.34 H new ATOM 0 HA SER A 44 11.714 3.085 -3.205 1.00 64.21 H new ATOM 0 HB2 SER A 44 13.746 1.961 -4.280 1.00 15.22 H new ATOM 0 HB3 SER A 44 13.651 1.830 -2.535 1.00 15.22 H new ATOM 0 HG SER A 44 14.107 -0.224 -3.545 1.00 54.53 H new ATOM 337 N LEU A 45 10.048 1.279 -5.037 1.00 63.31 N ATOM 338 CA LEU A 45 9.352 1.072 -6.279 1.00 33.24 C ATOM 339 C LEU A 45 7.857 1.218 -5.942 1.00 55.11 C ATOM 340 O LEU A 45 6.984 0.742 -6.638 1.00 10.34 O ATOM 341 CB LEU A 45 9.777 -0.356 -6.794 1.00 14.51 C ATOM 342 CG LEU A 45 9.309 -0.888 -8.180 1.00 33.13 C ATOM 343 CD1 LEU A 45 7.990 -1.637 -8.089 1.00 15.52 C ATOM 344 CD2 LEU A 45 9.225 0.237 -9.205 1.00 50.12 C ATOM 0 H LEU A 45 9.590 0.836 -4.240 1.00 63.31 H new ATOM 0 HA LEU A 45 9.582 1.777 -7.078 1.00 33.24 H new ATOM 0 HB2 LEU A 45 10.867 -0.382 -6.795 1.00 14.51 H new ATOM 0 HB3 LEU A 45 9.442 -1.076 -6.047 1.00 14.51 H new ATOM 0 HG LEU A 45 10.063 -1.599 -8.517 1.00 33.13 H new ATOM 0 HD11 LEU A 45 7.703 -1.990 -9.080 1.00 15.52 H new ATOM 0 HD12 LEU A 45 8.101 -2.489 -7.418 1.00 15.52 H new ATOM 0 HD13 LEU A 45 7.219 -0.970 -7.704 1.00 15.52 H new ATOM 0 HD21 LEU A 45 8.895 -0.167 -10.162 1.00 50.12 H new ATOM 0 HD22 LEU A 45 8.513 0.988 -8.863 1.00 50.12 H new ATOM 0 HD23 LEU A 45 10.207 0.696 -9.323 1.00 50.12 H new ATOM 345 N ASN A 46 7.618 1.980 -4.852 1.00 31.25 N ATOM 346 CA ASN A 46 6.287 2.199 -4.262 1.00 54.33 C ATOM 347 C ASN A 46 5.276 2.676 -5.287 1.00 61.55 C ATOM 348 O ASN A 46 5.235 3.849 -5.665 1.00 43.20 O ATOM 349 CB ASN A 46 6.354 3.194 -3.096 1.00 64.42 C ATOM 350 CG ASN A 46 5.001 3.430 -2.429 1.00 11.45 C ATOM 351 OD1 ASN A 46 4.143 2.542 -2.374 1.00 61.21 O ATOM 352 ND2 ASN A 46 4.800 4.623 -1.919 1.00 64.41 N ATOM 0 H ASN A 46 8.361 2.467 -4.351 1.00 31.25 H new ATOM 0 HA ASN A 46 5.953 1.232 -3.886 1.00 54.33 H new ATOM 0 HB2 ASN A 46 7.059 2.825 -2.352 1.00 64.42 H new ATOM 0 HB3 ASN A 46 6.743 4.145 -3.460 1.00 64.42 H new ATOM 0 HD21 ASN A 46 3.915 4.839 -1.461 1.00 64.41 H new ATOM 0 HD22 ASN A 46 5.529 5.334 -1.981 1.00 64.41 H new ATOM 353 N CYS A 47 4.503 1.755 -5.743 1.00 31.40 N ATOM 354 CA CYS A 47 3.514 1.996 -6.726 1.00 22.32 C ATOM 355 C CYS A 47 2.171 2.360 -6.072 1.00 71.11 C ATOM 356 O CYS A 47 1.737 1.723 -5.095 1.00 64.12 O ATOM 357 CB CYS A 47 3.367 0.731 -7.537 1.00 44.02 C ATOM 358 SG CYS A 47 2.925 -0.703 -6.504 1.00 23.13 S ATOM 0 H CYS A 47 4.545 0.785 -5.431 1.00 31.40 H new ATOM 0 HA CYS A 47 3.809 2.833 -7.359 1.00 22.32 H new ATOM 0 HB2 CYS A 47 2.601 0.877 -8.299 1.00 44.02 H new ATOM 0 HB3 CYS A 47 4.301 0.526 -8.059 1.00 44.02 H new ATOM 359 N PRO A 48 1.485 3.380 -6.586 1.00 3.41 N ATOM 360 CA PRO A 48 0.172 3.775 -6.085 1.00 45.43 C ATOM 361 C PRO A 48 -0.945 2.911 -6.713 1.00 55.15 C ATOM 362 O PRO A 48 -1.850 3.430 -7.373 1.00 70.45 O ATOM 363 CB PRO A 48 0.065 5.233 -6.551 1.00 75.14 C ATOM 364 CG PRO A 48 0.858 5.290 -7.816 1.00 15.03 C ATOM 365 CD PRO A 48 1.959 4.273 -7.673 1.00 23.20 C ATOM 0 HA PRO A 48 0.063 3.652 -5.008 1.00 45.43 H new ATOM 0 HB2 PRO A 48 -0.973 5.518 -6.722 1.00 75.14 H new ATOM 0 HB3 PRO A 48 0.465 5.918 -5.803 1.00 75.14 H new ATOM 0 HG2 PRO A 48 0.231 5.065 -8.678 1.00 15.03 H new ATOM 0 HG3 PRO A 48 1.269 6.288 -7.973 1.00 15.03 H new ATOM 0 HD2 PRO A 48 2.117 3.723 -8.601 1.00 23.20 H new ATOM 0 HD3 PRO A 48 2.907 4.745 -7.417 1.00 23.20 H new ATOM 366 N HIS A 49 -0.869 1.577 -6.485 1.00 3.21 N ATOM 367 CA HIS A 49 -1.809 0.553 -7.038 1.00 52.34 C ATOM 368 C HIS A 49 -1.953 0.620 -8.561 1.00 21.34 C ATOM 369 O HIS A 49 -2.964 0.243 -9.121 1.00 2.52 O ATOM 370 CB HIS A 49 -3.195 0.483 -6.311 1.00 21.11 C ATOM 371 CG HIS A 49 -4.082 1.703 -6.370 1.00 13.44 C ATOM 372 ND1 HIS A 49 -4.259 2.566 -5.301 1.00 61.10 N ATOM 373 CD2 HIS A 49 -4.867 2.187 -7.367 1.00 75.45 C ATOM 374 CE1 HIS A 49 -5.106 3.519 -5.641 1.00 61.13 C ATOM 375 NE2 HIS A 49 -5.488 3.313 -6.886 1.00 55.12 N ATOM 0 H HIS A 49 -0.140 1.168 -5.901 1.00 3.21 H new ATOM 0 HA HIS A 49 -1.322 -0.396 -6.815 1.00 52.34 H new ATOM 0 HB2 HIS A 49 -3.751 -0.356 -6.729 1.00 21.11 H new ATOM 0 HB3 HIS A 49 -3.012 0.252 -5.262 1.00 21.11 H new ATOM 0 HD2 HIS A 49 -4.981 1.765 -8.354 1.00 75.45 H new ATOM 0 HE1 HIS A 49 -5.431 4.330 -5.007 1.00 61.13 H new ATOM 0 HE2 HIS A 49 -6.141 3.897 -7.409 1.00 55.12 H new ATOM 376 N ARG A 50 -0.908 1.069 -9.198 1.00 53.15 N ATOM 377 CA ARG A 50 -0.809 1.132 -10.651 1.00 73.30 C ATOM 378 C ARG A 50 0.457 0.404 -11.026 1.00 51.02 C ATOM 379 O ARG A 50 1.176 0.798 -11.927 1.00 54.11 O ATOM 380 CB ARG A 50 -0.718 2.590 -11.114 1.00 72.12 C ATOM 381 CG ARG A 50 -1.968 3.419 -10.874 1.00 25.52 C ATOM 382 CD ARG A 50 -1.779 4.841 -11.379 1.00 40.32 C ATOM 383 NE ARG A 50 -1.433 4.875 -12.817 1.00 1.02 N ATOM 384 CZ ARG A 50 -1.136 5.983 -13.520 1.00 32.41 C ATOM 385 NH1 ARG A 50 -1.158 7.184 -12.927 1.00 22.13 N ATOM 386 NH2 ARG A 50 -0.816 5.883 -14.819 1.00 20.41 N ATOM 0 H ARG A 50 -0.075 1.413 -8.720 1.00 53.15 H new ATOM 0 HA ARG A 50 -1.685 0.684 -11.121 1.00 73.30 H new ATOM 0 HB2 ARG A 50 0.119 3.066 -10.603 1.00 72.12 H new ATOM 0 HB3 ARG A 50 -0.490 2.603 -12.180 1.00 72.12 H new ATOM 0 HG2 ARG A 50 -2.817 2.959 -11.379 1.00 25.52 H new ATOM 0 HG3 ARG A 50 -2.201 3.434 -9.809 1.00 25.52 H new ATOM 0 HD2 ARG A 50 -2.694 5.410 -11.212 1.00 40.32 H new ATOM 0 HD3 ARG A 50 -0.991 5.328 -10.805 1.00 40.32 H new ATOM 0 HE ARG A 50 -1.418 3.986 -13.316 1.00 1.02 H new ATOM 0 HH11 ARG A 50 -1.400 7.261 -11.939 1.00 22.13 H new ATOM 0 HH12 ARG A 50 -0.932 8.022 -13.463 1.00 22.13 H new ATOM 0 HH21 ARG A 50 -0.798 4.969 -15.271 1.00 20.41 H new ATOM 0 HH22 ARG A 50 -0.590 6.721 -15.355 1.00 20.41 H new ATOM 387 N LEU A 51 0.675 -0.683 -10.331 1.00 3.04 N ATOM 388 CA LEU A 51 1.910 -1.431 -10.389 1.00 13.20 C ATOM 389 C LEU A 51 2.227 -2.199 -11.669 1.00 44.33 C ATOM 390 O LEU A 51 3.115 -1.764 -12.381 1.00 2.21 O ATOM 391 CB LEU A 51 2.161 -2.301 -9.151 1.00 3.45 C ATOM 392 CG LEU A 51 1.043 -3.217 -8.632 1.00 42.12 C ATOM 393 CD1 LEU A 51 1.661 -4.304 -7.826 1.00 13.13 C ATOM 394 CD2 LEU A 51 0.063 -2.465 -7.743 1.00 25.45 C ATOM 0 H LEU A 51 -0.014 -1.083 -9.695 1.00 3.04 H new ATOM 0 HA LEU A 51 2.627 -0.610 -10.402 1.00 13.20 H new ATOM 0 HB2 LEU A 51 3.026 -2.929 -9.363 1.00 3.45 H new ATOM 0 HB3 LEU A 51 2.443 -1.635 -8.335 1.00 3.45 H new ATOM 0 HG LEU A 51 0.499 -3.609 -9.491 1.00 42.12 H new ATOM 0 HD11 LEU A 51 0.881 -4.965 -7.449 1.00 13.13 H new ATOM 0 HD12 LEU A 51 2.349 -4.874 -8.450 1.00 13.13 H new ATOM 0 HD13 LEU A 51 2.206 -3.870 -6.988 1.00 13.13 H new ATOM 0 HD21 LEU A 51 -0.712 -3.148 -7.397 1.00 25.45 H new ATOM 0 HD22 LEU A 51 0.593 -2.053 -6.885 1.00 25.45 H new ATOM 0 HD23 LEU A 51 -0.395 -1.655 -8.310 1.00 25.45 H new ATOM 395 N PRO A 52 1.435 -3.266 -12.048 1.00 15.32 N ATOM 396 CA PRO A 52 1.746 -4.329 -13.013 1.00 34.21 C ATOM 397 C PRO A 52 3.213 -4.706 -13.393 1.00 33.11 C ATOM 398 O PRO A 52 3.433 -5.597 -14.193 1.00 20.41 O ATOM 399 CB PRO A 52 0.835 -3.937 -14.128 1.00 30.12 C ATOM 400 CG PRO A 52 -0.429 -3.548 -13.341 1.00 2.00 C ATOM 401 CD PRO A 52 0.023 -3.410 -11.855 1.00 0.41 C ATOM 0 HA PRO A 52 1.591 -5.314 -12.572 1.00 34.21 H new ATOM 0 HB2 PRO A 52 1.230 -3.106 -14.713 1.00 30.12 H new ATOM 0 HB3 PRO A 52 0.654 -4.758 -14.822 1.00 30.12 H new ATOM 0 HG2 PRO A 52 -0.848 -2.612 -13.711 1.00 2.00 H new ATOM 0 HG3 PRO A 52 -1.204 -4.307 -13.445 1.00 2.00 H new ATOM 0 HD2 PRO A 52 -0.422 -2.547 -11.361 1.00 0.41 H new ATOM 0 HD3 PRO A 52 -0.231 -4.285 -11.257 1.00 0.41 H new ATOM 402 N ASN A 53 4.170 -4.016 -12.877 1.00 0.31 N ATOM 403 CA ASN A 53 5.573 -4.305 -13.098 1.00 0.23 C ATOM 404 C ASN A 53 6.356 -4.457 -11.820 1.00 10.30 C ATOM 405 O ASN A 53 7.576 -4.316 -11.826 1.00 64.43 O ATOM 406 CB ASN A 53 6.207 -3.297 -14.049 1.00 72.44 C ATOM 407 CG ASN A 53 5.811 -3.608 -15.472 1.00 1.32 C ATOM 408 OD1 ASN A 53 6.527 -4.299 -16.193 1.00 12.44 O ATOM 409 ND2 ASN A 53 4.656 -3.148 -15.871 1.00 2.23 N ATOM 0 H ASN A 53 4.010 -3.211 -12.271 1.00 0.31 H new ATOM 0 HA ASN A 53 5.614 -5.281 -13.582 1.00 0.23 H new ATOM 0 HB2 ASN A 53 5.889 -2.288 -13.787 1.00 72.44 H new ATOM 0 HB3 ASN A 53 7.292 -3.325 -13.951 1.00 72.44 H new ATOM 0 HD21 ASN A 53 4.320 -3.359 -16.811 1.00 2.23 H new ATOM 0 HD22 ASN A 53 4.090 -2.577 -15.243 1.00 2.23 H new ATOM 410 N ASN A 54 5.669 -4.786 -10.717 1.00 14.14 N ATOM 411 CA ASN A 54 6.340 -5.006 -9.390 1.00 72.10 C ATOM 412 C ASN A 54 7.146 -6.328 -9.366 1.00 74.41 C ATOM 413 O ASN A 54 6.957 -7.202 -8.526 1.00 50.54 O ATOM 414 CB ASN A 54 5.333 -4.940 -8.206 1.00 43.22 C ATOM 415 CG ASN A 54 4.367 -6.132 -8.082 1.00 43.14 C ATOM 416 OD1 ASN A 54 3.908 -6.454 -6.979 1.00 11.42 O ATOM 417 ND2 ASN A 54 4.056 -6.786 -9.178 1.00 21.41 N ATOM 0 H ASN A 54 4.657 -4.909 -10.698 1.00 14.14 H new ATOM 0 HA ASN A 54 7.047 -4.186 -9.259 1.00 72.10 H new ATOM 0 HB2 ASN A 54 5.898 -4.856 -7.277 1.00 43.22 H new ATOM 0 HB3 ASN A 54 4.744 -4.028 -8.305 1.00 43.22 H new ATOM 0 HD21 ASN A 54 3.420 -7.583 -9.134 1.00 21.41 H new ATOM 0 HD22 ASN A 54 4.450 -6.497 -10.073 1.00 21.41 H new ATOM 418 N LYS A 55 8.002 -6.461 -10.327 1.00 3.55 N ATOM 419 CA LYS A 55 8.930 -7.555 -10.434 1.00 43.23 C ATOM 420 C LYS A 55 10.004 -7.373 -9.346 1.00 2.23 C ATOM 421 O LYS A 55 11.079 -6.815 -9.567 1.00 64.10 O ATOM 422 CB LYS A 55 9.494 -7.555 -11.860 1.00 44.13 C ATOM 423 CG LYS A 55 10.451 -8.680 -12.233 1.00 74.41 C ATOM 424 CD LYS A 55 10.697 -8.687 -13.752 1.00 13.34 C ATOM 425 CE LYS A 55 11.293 -7.365 -14.260 1.00 20.21 C ATOM 426 NZ LYS A 55 11.361 -7.318 -15.744 1.00 73.33 N ATOM 0 H LYS A 55 8.082 -5.789 -11.090 1.00 3.55 H new ATOM 0 HA LYS A 55 8.465 -8.527 -10.269 1.00 43.23 H new ATOM 0 HB2 LYS A 55 8.655 -7.582 -12.555 1.00 44.13 H new ATOM 0 HB3 LYS A 55 10.009 -6.608 -12.019 1.00 44.13 H new ATOM 0 HG2 LYS A 55 11.396 -8.553 -11.705 1.00 74.41 H new ATOM 0 HG3 LYS A 55 10.037 -9.638 -11.920 1.00 74.41 H new ATOM 0 HD2 LYS A 55 11.371 -9.506 -14.003 1.00 13.34 H new ATOM 0 HD3 LYS A 55 9.756 -8.879 -14.268 1.00 13.34 H new ATOM 0 HE2 LYS A 55 10.689 -6.533 -13.898 1.00 20.21 H new ATOM 0 HE3 LYS A 55 12.294 -7.236 -13.847 1.00 20.21 H new ATOM 0 HZ1 LYS A 55 12.269 -6.904 -16.037 1.00 73.33 H new ATOM 0 HZ2 LYS A 55 11.281 -8.282 -16.126 1.00 73.33 H new ATOM 0 HZ3 LYS A 55 10.581 -6.735 -16.109 1.00 73.33 H new ATOM 427 N GLN A 56 9.620 -7.770 -8.164 1.00 4.32 N ATOM 428 CA GLN A 56 10.350 -7.577 -6.939 1.00 13.31 C ATOM 429 C GLN A 56 10.853 -8.899 -6.468 1.00 41.42 C ATOM 430 O GLN A 56 10.138 -9.888 -6.581 1.00 42.52 O ATOM 431 CB GLN A 56 9.360 -7.064 -5.913 1.00 73.32 C ATOM 432 CG GLN A 56 8.699 -5.756 -6.296 1.00 62.44 C ATOM 433 CD GLN A 56 7.389 -5.520 -5.574 1.00 43.11 C ATOM 434 OE1 GLN A 56 7.045 -4.395 -5.270 1.00 25.41 O ATOM 435 NE2 GLN A 56 6.608 -6.566 -5.374 1.00 35.11 N ATOM 0 H GLN A 56 8.740 -8.265 -8.021 1.00 4.32 H new ATOM 0 HA GLN A 56 11.182 -6.887 -7.082 1.00 13.31 H new ATOM 0 HB2 GLN A 56 8.588 -7.818 -5.759 1.00 73.32 H new ATOM 0 HB3 GLN A 56 9.874 -6.935 -4.960 1.00 73.32 H new ATOM 0 HG2 GLN A 56 9.381 -4.934 -6.078 1.00 62.44 H new ATOM 0 HG3 GLN A 56 8.521 -5.747 -7.371 1.00 62.44 H new ATOM 0 HE21 GLN A 56 6.926 -7.498 -5.640 1.00 35.11 H new ATOM 0 HE22 GLN A 56 5.687 -6.442 -4.953 1.00 35.11 H new ATOM 436 N CYS A 57 12.058 -8.944 -5.925 1.00 33.33 N ATOM 437 CA CYS A 57 12.557 -10.209 -5.472 1.00 21.10 C ATOM 438 C CYS A 57 13.807 -10.065 -4.593 1.00 13.34 C ATOM 439 O CYS A 57 14.702 -9.251 -4.889 1.00 31.23 O ATOM 440 CB CYS A 57 12.855 -11.096 -6.678 1.00 22.13 C ATOM 441 SG CYS A 57 12.957 -12.826 -6.254 1.00 71.31 S ATOM 0 H CYS A 57 12.681 -8.147 -5.795 1.00 33.33 H new ATOM 0 HA CYS A 57 11.788 -10.669 -4.852 1.00 21.10 H new ATOM 0 HB2 CYS A 57 12.077 -10.956 -7.428 1.00 22.13 H new ATOM 0 HB3 CYS A 57 13.795 -10.781 -7.131 1.00 22.13 H new ATOM 442 N ARG A 58 13.839 -10.805 -3.482 1.00 3.31 N ATOM 443 CA ARG A 58 14.989 -10.884 -2.598 1.00 24.25 C ATOM 444 C ARG A 58 15.414 -12.357 -2.525 1.00 22.35 C ATOM 445 O ARG A 58 14.675 -13.177 -1.995 1.00 45.33 O ATOM 446 CB ARG A 58 14.631 -10.429 -1.171 1.00 5.21 C ATOM 447 CG ARG A 58 14.031 -9.025 -1.003 1.00 11.40 C ATOM 448 CD ARG A 58 15.014 -7.878 -1.290 1.00 21.32 C ATOM 449 NE ARG A 58 15.347 -7.727 -2.719 1.00 54.15 N ATOM 450 CZ ARG A 58 15.858 -6.621 -3.293 1.00 14.05 C ATOM 451 NH1 ARG A 58 15.998 -5.494 -2.587 1.00 30.11 N ATOM 452 NH2 ARG A 58 16.166 -6.640 -4.594 1.00 0.13 N ATOM 0 H ARG A 58 13.050 -11.373 -3.172 1.00 3.31 H new ATOM 0 HA ARG A 58 15.779 -10.240 -2.984 1.00 24.25 H new ATOM 0 HB2 ARG A 58 13.925 -11.148 -0.756 1.00 5.21 H new ATOM 0 HB3 ARG A 58 15.535 -10.483 -0.564 1.00 5.21 H new ATOM 0 HG2 ARG A 58 13.173 -8.927 -1.668 1.00 11.40 H new ATOM 0 HG3 ARG A 58 13.658 -8.922 0.016 1.00 11.40 H new ATOM 0 HD2 ARG A 58 14.586 -6.944 -0.925 1.00 21.32 H new ATOM 0 HD3 ARG A 58 15.932 -8.049 -0.728 1.00 21.32 H new ATOM 0 HE ARG A 58 15.175 -8.530 -3.325 1.00 54.15 H new ATOM 0 HH11 ARG A 58 15.717 -5.468 -1.607 1.00 30.11 H new ATOM 0 HH12 ARG A 58 16.386 -4.660 -3.029 1.00 30.11 H new ATOM 0 HH21 ARG A 58 16.013 -7.487 -5.142 1.00 0.13 H new ATOM 0 HH22 ARG A 58 16.554 -5.808 -5.039 1.00 0.13 H new ATOM 453 N CYS A 59 16.567 -12.678 -3.063 1.00 52.14 N ATOM 454 CA CYS A 59 17.081 -14.030 -3.055 1.00 23.42 C ATOM 455 C CYS A 59 18.051 -14.181 -1.913 1.00 51.14 C ATOM 456 O CYS A 59 19.136 -13.605 -1.922 1.00 4.25 O ATOM 457 CB CYS A 59 17.763 -14.359 -4.385 1.00 34.15 C ATOM 458 SG CYS A 59 16.636 -14.362 -5.818 1.00 34.04 S ATOM 0 H CYS A 59 17.180 -12.005 -3.522 1.00 52.14 H new ATOM 0 HA CYS A 59 16.254 -14.728 -2.924 1.00 23.42 H new ATOM 0 HB2 CYS A 59 18.558 -13.634 -4.563 1.00 34.15 H new ATOM 0 HB3 CYS A 59 18.236 -15.338 -4.306 1.00 34.15 H new ATOM 459 N ILE A 60 17.655 -14.928 -0.932 1.00 41.10 N ATOM 460 CA ILE A 60 18.422 -15.058 0.294 1.00 75.54 C ATOM 461 C ILE A 60 19.282 -16.259 0.204 1.00 4.23 C ATOM 462 O ILE A 60 18.824 -17.275 -0.312 1.00 3.34 O ATOM 463 CB ILE A 60 17.487 -15.313 1.486 1.00 62.42 C ATOM 464 CG1 ILE A 60 16.211 -14.510 1.339 1.00 32.33 C ATOM 465 CG2 ILE A 60 18.192 -15.002 2.804 1.00 72.32 C ATOM 466 CD1 ILE A 60 16.396 -13.021 1.286 1.00 22.51 C ATOM 0 H ILE A 60 16.792 -15.471 -0.945 1.00 41.10 H new ATOM 0 HA ILE A 60 18.996 -14.141 0.427 1.00 75.54 H new ATOM 0 HB ILE A 60 17.219 -16.370 1.497 1.00 62.42 H new ATOM 0 HG12 ILE A 60 15.702 -14.830 0.430 1.00 32.33 H new ATOM 0 HG13 ILE A 60 15.552 -14.749 2.174 1.00 32.33 H new ATOM 0 HG21 ILE A 60 17.511 -15.190 3.634 1.00 72.32 H new ATOM 0 HG22 ILE A 60 19.071 -15.638 2.905 1.00 72.32 H new ATOM 0 HG23 ILE A 60 18.498 -13.956 2.815 1.00 72.32 H new ATOM 0 HD11 ILE A 60 15.425 -12.537 1.180 1.00 22.51 H new ATOM 0 HD12 ILE A 60 16.873 -12.681 2.205 1.00 22.51 H new ATOM 0 HD13 ILE A 60 17.025 -12.763 0.434 1.00 22.51 H new ATOM 467 N ASN A 61 20.531 -16.151 0.678 1.00 33.01 N ATOM 468 CA ASN A 61 21.417 -17.321 0.815 1.00 21.32 C ATOM 469 C ASN A 61 21.585 -18.055 -0.494 1.00 65.44 C ATOM 470 O ASN A 61 21.752 -19.280 -0.507 1.00 61.21 O ATOM 471 CB ASN A 61 20.812 -18.268 1.863 1.00 4.55 C ATOM 472 CG ASN A 61 21.094 -17.875 3.298 1.00 64.23 C ATOM 473 OD1 ASN A 61 21.316 -16.711 3.604 1.00 52.31 O ATOM 474 ND2 ASN A 61 21.031 -18.831 4.193 1.00 42.24 N ATOM 0 H ASN A 61 20.952 -15.270 0.973 1.00 33.01 H new ATOM 0 HA ASN A 61 22.404 -16.976 1.125 1.00 21.32 H new ATOM 0 HB2 ASN A 61 19.733 -18.311 1.716 1.00 4.55 H new ATOM 0 HB3 ASN A 61 21.197 -19.273 1.692 1.00 4.55 H new ATOM 0 HD21 ASN A 61 21.169 -18.615 5.180 1.00 42.24 H new ATOM 0 HD22 ASN A 61 20.844 -19.791 3.902 1.00 42.24 H new ATOM 475 N ALA A 62 21.551 -17.303 -1.582 1.00 21.13 N ATOM 476 CA ALA A 62 21.641 -17.855 -2.907 1.00 51.33 C ATOM 477 C ALA A 62 22.874 -18.703 -3.085 1.00 52.04 C ATOM 478 O ALA A 62 23.979 -18.286 -2.749 1.00 5.22 O ATOM 479 CB ALA A 62 21.542 -16.772 -3.939 1.00 50.14 C ATOM 0 H ALA A 62 21.459 -16.287 -1.561 1.00 21.13 H new ATOM 0 HA ALA A 62 20.792 -18.524 -3.048 1.00 51.33 H new ATOM 0 HB1 ALA A 62 21.612 -17.210 -4.934 1.00 50.14 H new ATOM 0 HB2 ALA A 62 20.587 -16.257 -3.836 1.00 50.14 H new ATOM 0 HB3 ALA A 62 22.355 -16.060 -3.798 1.00 50.14 H new ATOM 480 N ARG A 63 22.666 -19.910 -3.569 1.00 15.03 N ATOM 481 CA ARG A 63 23.743 -20.857 -3.695 1.00 33.32 C ATOM 482 C ARG A 63 24.557 -20.549 -4.935 1.00 13.43 C ATOM 483 O ARG A 63 25.753 -20.825 -4.991 1.00 4.53 O ATOM 484 CB ARG A 63 23.233 -22.303 -3.825 1.00 25.23 C ATOM 485 CG ARG A 63 22.197 -22.803 -2.803 1.00 33.33 C ATOM 486 CD ARG A 63 22.580 -22.614 -1.337 1.00 15.24 C ATOM 487 NE ARG A 63 21.616 -23.338 -0.448 1.00 32.54 N ATOM 488 CZ ARG A 63 20.783 -22.776 0.478 1.00 51.34 C ATOM 489 NH1 ARG A 63 20.724 -21.479 0.638 1.00 20.15 N ATOM 490 NH2 ARG A 63 19.981 -23.536 1.220 1.00 55.54 N ATOM 0 H ARG A 63 21.758 -20.254 -3.881 1.00 15.03 H new ATOM 0 HA ARG A 63 24.345 -20.770 -2.790 1.00 33.32 H new ATOM 0 HB2 ARG A 63 22.801 -22.416 -4.819 1.00 25.23 H new ATOM 0 HB3 ARG A 63 24.096 -22.966 -3.776 1.00 25.23 H new ATOM 0 HG2 ARG A 63 21.254 -22.287 -2.984 1.00 33.33 H new ATOM 0 HG3 ARG A 63 22.019 -23.864 -2.981 1.00 33.33 H new ATOM 0 HD2 ARG A 63 23.590 -22.986 -1.168 1.00 15.24 H new ATOM 0 HD3 ARG A 63 22.586 -21.552 -1.090 1.00 15.24 H new ATOM 0 HE ARG A 63 21.577 -24.353 -0.543 1.00 32.54 H new ATOM 0 HH11 ARG A 63 21.306 -20.868 0.066 1.00 20.15 H new ATOM 0 HH12 ARG A 63 20.096 -21.079 1.335 1.00 20.15 H new ATOM 0 HH21 ARG A 63 19.984 -24.549 1.100 1.00 55.54 H new ATOM 0 HH22 ARG A 63 19.363 -23.105 1.908 1.00 55.54 H new ATOM 491 N THR A 64 23.904 -20.015 -5.943 1.00 35.13 N ATOM 492 CA THR A 64 24.576 -19.763 -7.183 1.00 23.20 C ATOM 493 C THR A 64 24.509 -18.311 -7.578 1.00 61.11 C ATOM 494 O THR A 64 23.903 -17.471 -6.909 1.00 43.04 O ATOM 495 CB THR A 64 23.975 -20.597 -8.370 1.00 33.30 C ATOM 496 OG1 THR A 64 22.669 -20.124 -8.735 1.00 21.31 O ATOM 497 CG2 THR A 64 23.830 -22.029 -7.999 1.00 33.33 C ATOM 0 H THR A 64 22.919 -19.752 -5.923 1.00 35.13 H new ATOM 0 HA THR A 64 25.610 -20.059 -7.007 1.00 23.20 H new ATOM 0 HB THR A 64 24.668 -20.483 -9.204 1.00 33.30 H new ATOM 0 HG1 THR A 64 22.755 -19.383 -9.371 1.00 21.31 H new ATOM 0 HG21 THR A 64 23.412 -22.582 -8.840 1.00 33.33 H new ATOM 0 HG22 THR A 64 24.807 -22.440 -7.745 1.00 33.33 H new ATOM 0 HG23 THR A 64 23.165 -22.117 -7.140 1.00 33.33 H new ATOM 498 N ALA A 65 25.115 -18.056 -8.701 1.00 1.32 N ATOM 499 CA ALA A 65 25.030 -16.790 -9.383 1.00 64.12 C ATOM 500 C ALA A 65 23.753 -16.851 -10.200 1.00 14.13 C ATOM 501 O ALA A 65 23.105 -17.917 -10.222 1.00 75.31 O ATOM 502 CB ALA A 65 26.242 -16.584 -10.286 1.00 74.43 C ATOM 0 H ALA A 65 25.699 -18.739 -9.184 1.00 1.32 H new ATOM 0 HA ALA A 65 25.017 -15.955 -8.683 1.00 64.12 H new ATOM 0 HB1 ALA A 65 26.159 -15.622 -10.792 1.00 74.43 H new ATOM 0 HB2 ALA A 65 27.151 -16.600 -9.684 1.00 74.43 H new ATOM 0 HB3 ALA A 65 26.283 -17.382 -11.027 1.00 74.43 H new ATOM 503 N LYS A 66 23.334 -15.763 -10.824 1.00 40.31 N ATOM 504 CA LYS A 66 22.112 -15.830 -11.584 1.00 11.32 C ATOM 505 C LYS A 66 22.257 -16.783 -12.754 1.00 41.33 C ATOM 506 O LYS A 66 23.366 -17.057 -13.222 1.00 74.31 O ATOM 507 CB LYS A 66 21.621 -14.481 -12.071 1.00 44.31 C ATOM 508 CG LYS A 66 22.408 -13.845 -13.214 1.00 22.31 C ATOM 509 CD LYS A 66 21.542 -12.801 -13.889 1.00 51.13 C ATOM 510 CE LYS A 66 20.368 -13.467 -14.622 1.00 24.35 C ATOM 511 NZ LYS A 66 20.731 -13.921 -15.981 1.00 61.12 N ATOM 0 H LYS A 66 23.805 -14.858 -10.818 1.00 40.31 H new ATOM 0 HA LYS A 66 21.356 -16.205 -10.894 1.00 11.32 H new ATOM 0 HB2 LYS A 66 20.584 -14.589 -12.389 1.00 44.31 H new ATOM 0 HB3 LYS A 66 21.626 -13.791 -11.227 1.00 44.31 H new ATOM 0 HG2 LYS A 66 23.321 -13.388 -12.833 1.00 22.31 H new ATOM 0 HG3 LYS A 66 22.709 -14.607 -13.933 1.00 22.31 H new ATOM 0 HD2 LYS A 66 21.163 -12.099 -13.146 1.00 51.13 H new ATOM 0 HD3 LYS A 66 22.140 -12.226 -14.596 1.00 51.13 H new ATOM 0 HE2 LYS A 66 20.017 -14.319 -14.040 1.00 24.35 H new ATOM 0 HE3 LYS A 66 19.539 -12.763 -14.688 1.00 24.35 H new ATOM 0 HZ1 LYS A 66 20.249 -14.819 -16.187 1.00 61.12 H new ATOM 0 HZ2 LYS A 66 20.440 -13.204 -16.676 1.00 61.12 H new ATOM 0 HZ3 LYS A 66 21.760 -14.059 -16.037 1.00 61.12 H new ATOM 512 N ASP A 67 21.158 -17.216 -13.261 1.00 54.14 N ATOM 513 CA ASP A 67 21.182 -18.250 -14.271 1.00 63.21 C ATOM 514 C ASP A 67 20.921 -17.601 -15.604 1.00 1.31 C ATOM 515 O ASP A 67 20.252 -16.573 -15.669 1.00 22.24 O ATOM 516 CB ASP A 67 20.128 -19.311 -13.958 1.00 53.21 C ATOM 517 CG ASP A 67 20.343 -20.623 -14.678 1.00 33.44 C ATOM 518 OD1 ASP A 67 20.236 -20.673 -15.923 1.00 15.43 O ATOM 519 OD2 ASP A 67 20.571 -21.650 -13.987 1.00 41.44 O ATOM 0 H ASP A 67 20.229 -16.882 -13.005 1.00 54.14 H new ATOM 0 HA ASP A 67 22.151 -18.748 -14.291 1.00 63.21 H new ATOM 0 HB2 ASP A 67 20.120 -19.495 -12.884 1.00 53.21 H new ATOM 0 HB3 ASP A 67 19.145 -18.921 -14.221 1.00 53.21 H new ATOM 520 N ASN A 68 21.489 -18.117 -16.643 1.00 10.11 N ATOM 521 CA ASN A 68 21.318 -17.510 -17.958 1.00 51.34 C ATOM 522 C ASN A 68 20.554 -18.405 -18.893 1.00 73.10 C ATOM 523 O ASN A 68 20.157 -17.983 -19.973 1.00 35.21 O ATOM 524 CB ASN A 68 22.659 -17.135 -18.583 1.00 64.34 C ATOM 525 CG ASN A 68 23.400 -16.032 -17.832 1.00 23.32 C ATOM 526 OD1 ASN A 68 22.789 -15.158 -17.200 1.00 22.11 O ATOM 527 ND2 ASN A 68 24.710 -16.050 -17.899 1.00 14.32 N ATOM 0 H ASN A 68 22.075 -18.952 -16.627 1.00 10.11 H new ATOM 0 HA ASN A 68 20.739 -16.600 -17.804 1.00 51.34 H new ATOM 0 HB2 ASN A 68 23.291 -18.022 -18.624 1.00 64.34 H new ATOM 0 HB3 ASN A 68 22.493 -16.814 -19.611 1.00 64.34 H new ATOM 0 HD21 ASN A 68 25.255 -15.331 -17.423 1.00 14.32 H new ATOM 0 HD22 ASN A 68 25.184 -16.783 -18.427 1.00 14.32 H new ATOM 528 N ARG A 69 20.333 -19.626 -18.469 1.00 52.21 N ATOM 529 CA ARG A 69 19.692 -20.626 -19.306 1.00 64.54 C ATOM 530 C ARG A 69 18.206 -20.523 -19.114 1.00 14.11 C ATOM 531 O ARG A 69 17.420 -20.760 -20.023 1.00 64.03 O ATOM 532 CB ARG A 69 20.088 -22.007 -18.832 1.00 74.04 C ATOM 533 CG ARG A 69 21.574 -22.277 -18.674 1.00 74.24 C ATOM 534 CD ARG A 69 21.814 -23.122 -17.410 1.00 54.42 C ATOM 535 NE ARG A 69 20.963 -24.337 -17.363 1.00 73.05 N ATOM 536 CZ ARG A 69 19.785 -24.427 -16.680 1.00 75.32 C ATOM 537 NH1 ARG A 69 19.352 -23.403 -15.947 1.00 51.11 N ATOM 538 NH2 ARG A 69 19.062 -25.549 -16.735 1.00 31.20 N ATOM 0 H ARG A 69 20.589 -19.959 -17.539 1.00 52.21 H new ATOM 0 HA ARG A 69 19.984 -20.467 -20.344 1.00 64.54 H new ATOM 0 HB2 ARG A 69 19.606 -22.188 -17.871 1.00 74.04 H new ATOM 0 HB3 ARG A 69 19.683 -22.736 -19.534 1.00 74.04 H new ATOM 0 HG2 ARG A 69 21.954 -22.801 -19.551 1.00 74.24 H new ATOM 0 HG3 ARG A 69 22.119 -21.336 -18.603 1.00 74.24 H new ATOM 0 HD2 ARG A 69 22.863 -23.416 -17.368 1.00 54.42 H new ATOM 0 HD3 ARG A 69 21.619 -22.512 -16.528 1.00 54.42 H new ATOM 0 HE ARG A 69 21.280 -25.160 -17.876 1.00 73.05 H new ATOM 0 HH11 ARG A 69 19.902 -22.545 -15.894 1.00 51.11 H new ATOM 0 HH12 ARG A 69 18.471 -23.476 -15.439 1.00 51.11 H new ATOM 0 HH21 ARG A 69 19.390 -26.341 -17.288 1.00 31.20 H new ATOM 0 HH22 ARG A 69 18.182 -25.614 -16.224 1.00 31.20 H new ATOM 539 N ASN A 70 17.840 -20.193 -17.898 1.00 1.12 N ATOM 540 CA ASN A 70 16.457 -20.119 -17.502 1.00 3.24 C ATOM 541 C ASN A 70 15.796 -18.898 -18.092 1.00 64.14 C ATOM 542 O ASN A 70 16.253 -17.770 -17.855 1.00 11.21 O ATOM 543 CB ASN A 70 16.312 -20.040 -15.981 1.00 24.40 C ATOM 544 CG ASN A 70 16.778 -21.258 -15.208 1.00 22.00 C ATOM 545 OD1 ASN A 70 16.735 -22.395 -15.679 1.00 3.43 O ATOM 546 ND2 ASN A 70 17.221 -21.024 -14.004 1.00 44.53 N ATOM 0 H ASN A 70 18.499 -19.967 -17.153 1.00 1.12 H new ATOM 0 HA ASN A 70 15.978 -21.026 -17.870 1.00 3.24 H new ATOM 0 HB2 ASN A 70 16.870 -19.173 -15.627 1.00 24.40 H new ATOM 0 HB3 ASN A 70 15.263 -19.863 -15.744 1.00 24.40 H new ATOM 0 HD21 ASN A 70 17.546 -21.796 -13.421 1.00 44.53 H new ATOM 0 HD22 ASN A 70 17.243 -20.069 -13.645 1.00 44.53 H new ATOM 547 N PRO A 71 14.694 -19.083 -18.849 1.00 70.30 N ATOM 548 CA PRO A 71 13.916 -17.966 -19.409 1.00 41.11 C ATOM 549 C PRO A 71 13.357 -17.075 -18.300 1.00 30.40 C ATOM 550 O PRO A 71 13.135 -15.887 -18.481 1.00 43.11 O ATOM 551 CB PRO A 71 12.766 -18.662 -20.150 1.00 44.10 C ATOM 552 CG PRO A 71 13.265 -20.035 -20.426 1.00 11.43 C ATOM 553 CD PRO A 71 14.148 -20.391 -19.267 1.00 61.33 C ATOM 0 HA PRO A 71 14.518 -17.320 -20.049 1.00 41.11 H new ATOM 0 HB2 PRO A 71 11.861 -18.685 -19.543 1.00 44.10 H new ATOM 0 HB3 PRO A 71 12.517 -18.139 -21.073 1.00 44.10 H new ATOM 0 HG2 PRO A 71 12.439 -20.740 -20.519 1.00 11.43 H new ATOM 0 HG3 PRO A 71 13.819 -20.068 -21.364 1.00 11.43 H new ATOM 0 HD2 PRO A 71 13.587 -20.869 -18.464 1.00 61.33 H new ATOM 0 HD3 PRO A 71 14.938 -21.083 -19.559 1.00 61.33 H new ATOM 554 N THR A 72 13.186 -17.664 -17.138 1.00 75.01 N ATOM 555 CA THR A 72 12.684 -16.986 -15.981 1.00 64.42 C ATOM 556 C THR A 72 13.738 -16.050 -15.372 1.00 43.13 C ATOM 557 O THR A 72 13.419 -15.206 -14.532 1.00 23.35 O ATOM 558 CB THR A 72 12.220 -18.028 -14.959 1.00 42.54 C ATOM 559 OG1 THR A 72 13.147 -19.135 -14.977 1.00 61.03 O ATOM 560 CG2 THR A 72 10.821 -18.528 -15.291 1.00 43.15 C ATOM 0 H THR A 72 13.399 -18.648 -16.975 1.00 75.01 H new ATOM 0 HA THR A 72 11.841 -16.361 -16.275 1.00 64.42 H new ATOM 0 HB THR A 72 12.191 -17.571 -13.970 1.00 42.54 H new ATOM 0 HG1 THR A 72 12.675 -19.960 -14.739 1.00 61.03 H new ATOM 0 HG21 THR A 72 10.514 -19.267 -14.551 1.00 43.15 H new ATOM 0 HG22 THR A 72 10.123 -17.691 -15.279 1.00 43.15 H new ATOM 0 HG23 THR A 72 10.823 -18.985 -16.281 1.00 43.15 H new ATOM 561 N CYS A 73 14.979 -16.189 -15.823 1.00 3.34 N ATOM 562 CA CYS A 73 16.070 -15.361 -15.351 1.00 45.25 C ATOM 563 C CYS A 73 16.308 -14.193 -16.257 1.00 42.25 C ATOM 564 O CYS A 73 17.272 -13.422 -16.061 1.00 64.44 O ATOM 565 CB CYS A 73 17.338 -16.144 -15.239 1.00 54.41 C ATOM 566 SG CYS A 73 17.316 -17.423 -13.968 1.00 5.31 S ATOM 0 H CYS A 73 15.252 -16.878 -16.524 1.00 3.34 H new ATOM 0 HA CYS A 73 15.777 -14.998 -14.366 1.00 45.25 H new ATOM 0 HB2 CYS A 73 17.549 -16.610 -16.202 1.00 54.41 H new ATOM 0 HB3 CYS A 73 18.158 -15.456 -15.031 1.00 54.41 H new ATOM 567 N TRP A 74 15.500 -14.069 -17.275 1.00 71.10 N ATOM 568 CA TRP A 74 15.566 -12.913 -18.095 1.00 64.34 C ATOM 569 C TRP A 74 14.599 -11.946 -17.466 1.00 35.42 C ATOM 570 O TRP A 74 13.399 -12.039 -17.667 1.00 41.35 O ATOM 571 CB TRP A 74 15.208 -13.231 -19.560 1.00 3.11 C ATOM 572 CG TRP A 74 16.019 -14.370 -20.156 1.00 21.03 C ATOM 573 CD1 TRP A 74 17.318 -14.716 -19.867 1.00 2.14 C ATOM 574 CD2 TRP A 74 15.583 -15.290 -21.165 1.00 20.13 C ATOM 575 NE1 TRP A 74 17.692 -15.813 -20.605 1.00 54.53 N ATOM 576 CE2 TRP A 74 16.651 -16.178 -21.415 1.00 41.01 C ATOM 577 CE3 TRP A 74 14.389 -15.458 -21.873 1.00 41.52 C ATOM 578 CZ2 TRP A 74 16.559 -17.212 -22.342 1.00 53.45 C ATOM 579 CZ3 TRP A 74 14.301 -16.483 -22.795 1.00 52.11 C ATOM 580 CH2 TRP A 74 15.379 -17.348 -23.021 1.00 22.43 C ATOM 0 H TRP A 74 14.796 -14.755 -17.547 1.00 71.10 H new ATOM 0 HA TRP A 74 16.573 -12.499 -18.145 1.00 64.34 H new ATOM 0 HB2 TRP A 74 14.149 -13.482 -19.619 1.00 3.11 H new ATOM 0 HB3 TRP A 74 15.358 -12.336 -20.164 1.00 3.11 H new ATOM 0 HD1 TRP A 74 17.953 -14.200 -19.162 1.00 2.14 H new ATOM 0 HE1 TRP A 74 18.598 -16.279 -20.557 1.00 54.53 H new ATOM 0 HE3 TRP A 74 13.551 -14.799 -21.702 1.00 41.52 H new ATOM 0 HZ2 TRP A 74 17.388 -17.882 -22.519 1.00 53.45 H new ATOM 0 HZ3 TRP A 74 13.385 -16.620 -23.351 1.00 52.11 H new ATOM 0 HH2 TRP A 74 15.277 -18.140 -23.748 1.00 22.43 H new ATOM 581 N ALA A 75 15.144 -11.152 -16.568 1.00 40.45 N ATOM 582 CA ALA A 75 14.401 -10.224 -15.718 1.00 23.43 C ATOM 583 C ALA A 75 13.472 -9.280 -16.477 1.00 51.43 C ATOM 584 O ALA A 75 12.287 -9.627 -16.674 1.00 11.04 O ATOM 585 CB ALA A 75 15.361 -9.445 -14.826 1.00 52.10 C ATOM 0 H ALA A 75 16.150 -11.129 -16.398 1.00 40.45 H new ATOM 0 HA ALA A 75 13.743 -10.839 -15.104 1.00 23.43 H new ATOM 0 HB1 ALA A 75 14.796 -8.757 -14.197 1.00 52.10 H new ATOM 0 HB2 ALA A 75 15.917 -10.139 -14.196 1.00 52.10 H new ATOM 0 HB3 ALA A 75 16.058 -8.881 -15.446 1.00 52.10 H new TER 586 ALA A 75