USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 79 GLN : amide:sc= 0.88 K(o=2.1,f=-0.84) USER MOD Set 1.2: A 80 TYR OH : rot 152:sc= 1.24 USER MOD Set 2.1: A 34 MET CE :methyl -110:sc= -1.59 (180deg=-7.18!) USER MOD Set 2.2: A 59 TYR OH : rot 2:sc= -2.77 USER MOD Set 2.3: A 110 THR OG1 : rot 89:sc= 1.15 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.0668 K(o=0.35,f=-2.4!) USER MOD Set 3.2: A 20 SER OG : rot -14:sc= 0.275 USER MOD Set 3.3: A 21 SER OG : rot -69:sc= 0.0128 USER MOD Single : A 15 GLN : amide:sc= -0.739 X(o=-0.74,f=-0.74) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= -0.135 (180deg=-0.648) USER MOD Single : A 29 SER OG : rot 93:sc= 1.21 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -25:sc= 0.251 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 60:sc= -0.33 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 1.41 (180deg=1.35) USER MOD Single : A 69 ASN : amide:sc= 0.265 K(o=0.27,f=-5.1!) USER MOD Single : A 70 THR OG1 : rot -79:sc= 0.308 USER MOD Single : A 78 THR OG1 : rot 63:sc= 0.413 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 170:sc= -0.0104 USER MOD Single : A 87 THR OG1 : rot -70:sc= 0.964 USER MOD Single : A 92 LYS NZ :NH3+ -113:sc= -1.28 (180deg=-3.5!) USER MOD Single : A 93 ASN : amide:sc= 0.382 K(o=0.38,f=-0.71) USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= -0.168 (180deg=-0.97) USER MOD Single : A 99 SER OG : rot 42:sc= 0.606 USER MOD Single : A 106 LYS NZ :NH3+ -166:sc= -0.227 (180deg=-0.466) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0446 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 112 SER OG : rot 136:sc= -0.234 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 8:sc= -0.21 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.141 -3.076 -9.483 1.00 0.00 N ATOM 2 CA VAL A 14 -3.463 -2.453 -9.645 1.00 0.00 C ATOM 3 C VAL A 14 -3.402 -0.987 -10.110 1.00 0.00 C ATOM 4 O VAL A 14 -2.546 -0.206 -9.690 1.00 0.00 O ATOM 5 CB VAL A 14 -4.263 -2.615 -8.332 1.00 0.00 C ATOM 6 CG1 VAL A 14 -3.773 -1.714 -7.196 1.00 0.00 C ATOM 7 CG2 VAL A 14 -5.762 -2.423 -8.531 1.00 0.00 C ATOM 0 HA VAL A 14 -3.980 -2.973 -10.451 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.079 -3.647 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.382 -1.884 -6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.732 -1.946 -6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.855 -0.670 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.275 -2.548 -7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.952 -1.422 -8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.132 -3.162 -9.241 1.00 0.00 H new ATOM 17 N GLN A 15 -4.342 -0.670 -10.983 1.00 0.00 N ATOM 18 CA GLN A 15 -4.647 0.728 -11.348 1.00 0.00 C ATOM 19 C GLN A 15 -5.794 1.195 -10.448 1.00 0.00 C ATOM 20 O GLN A 15 -6.974 0.968 -10.718 1.00 0.00 O ATOM 21 CB GLN A 15 -4.972 0.851 -12.838 1.00 0.00 C ATOM 22 CG GLN A 15 -3.732 0.756 -13.748 1.00 0.00 C ATOM 23 CD GLN A 15 -2.963 -0.561 -13.573 1.00 0.00 C ATOM 24 OE1 GLN A 15 -3.465 -1.663 -13.778 1.00 0.00 O ATOM 25 NE2 GLN A 15 -1.734 -0.465 -13.133 1.00 0.00 N ATOM 0 H GLN A 15 -4.920 -1.360 -11.464 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.782 1.371 -11.189 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.676 0.066 -13.114 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.471 1.804 -13.015 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.042 0.854 -14.788 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.065 1.591 -13.534 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.323 0.453 -12.965 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.187 -1.308 -12.958 1.00 0.00 H new ATOM 34 N ASP A 16 -5.368 1.610 -9.255 1.00 0.00 N ATOM 35 CA ASP A 16 -6.202 2.058 -8.118 1.00 0.00 C ATOM 36 C ASP A 16 -7.325 1.102 -7.681 1.00 0.00 C ATOM 37 O ASP A 16 -8.396 0.999 -8.289 1.00 0.00 O ATOM 38 CB ASP A 16 -6.715 3.500 -8.282 1.00 0.00 C ATOM 39 CG ASP A 16 -7.568 3.704 -9.542 1.00 0.00 C ATOM 40 OD1 ASP A 16 -8.765 3.359 -9.469 1.00 0.00 O ATOM 41 OD2 ASP A 16 -7.011 4.272 -10.498 1.00 0.00 O ATOM 0 H ASP A 16 -4.373 1.648 -9.034 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.498 2.040 -7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.304 3.770 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.863 4.179 -8.315 1.00 0.00 H new ATOM 47 N VAL A 17 -7.079 0.514 -6.519 1.00 0.00 N ATOM 48 CA VAL A 17 -8.031 -0.385 -5.834 1.00 0.00 C ATOM 49 C VAL A 17 -9.181 0.437 -5.233 1.00 0.00 C ATOM 50 O VAL A 17 -9.040 1.072 -4.199 1.00 0.00 O ATOM 51 CB VAL A 17 -7.412 -1.212 -4.690 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.687 -2.700 -4.924 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.941 -0.985 -4.356 1.00 0.00 C ATOM 0 H VAL A 17 -6.205 0.642 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.371 -1.080 -6.601 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.916 -0.835 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.248 -3.283 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.763 -2.871 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.245 -3.007 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.650 -1.637 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.330 -1.211 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.790 0.055 -4.067 1.00 0.00 H new ATOM 63 N ASN A 18 -10.242 0.565 -6.014 1.00 0.00 N ATOM 64 CA ASN A 18 -11.464 1.250 -5.560 1.00 0.00 C ATOM 65 C ASN A 18 -12.371 0.233 -4.842 1.00 0.00 C ATOM 66 O ASN A 18 -12.082 -0.967 -4.818 1.00 0.00 O ATOM 67 CB ASN A 18 -12.121 1.908 -6.782 1.00 0.00 C ATOM 68 CG ASN A 18 -12.389 0.869 -7.862 1.00 0.00 C ATOM 69 OD1 ASN A 18 -13.292 0.054 -7.745 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.466 0.727 -8.784 1.00 0.00 N ATOM 0 H ASN A 18 -10.291 0.207 -6.968 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.252 2.039 -4.838 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.055 2.386 -6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.472 2.691 -7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.496 -0.073 -9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.719 1.416 -8.868 1.00 0.00 H new ATOM 77 N ASP A 19 -13.565 0.678 -4.491 1.00 0.00 N ATOM 78 CA ASP A 19 -14.536 -0.123 -3.709 1.00 0.00 C ATOM 79 C ASP A 19 -14.959 -1.478 -4.279 1.00 0.00 C ATOM 80 O ASP A 19 -15.222 -2.398 -3.504 1.00 0.00 O ATOM 81 CB ASP A 19 -15.760 0.735 -3.365 1.00 0.00 C ATOM 82 CG ASP A 19 -15.500 1.651 -2.170 1.00 0.00 C ATOM 83 OD1 ASP A 19 -16.104 1.394 -1.109 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.707 2.612 -2.329 1.00 0.00 O ATOM 0 H ASP A 19 -13.905 1.608 -4.734 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.981 -0.406 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.035 1.338 -4.231 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.608 0.086 -3.146 1.00 0.00 H new ATOM 90 N SER A 20 -15.028 -1.590 -5.603 1.00 0.00 N ATOM 91 CA SER A 20 -15.347 -2.877 -6.245 1.00 0.00 C ATOM 92 C SER A 20 -14.111 -3.789 -6.323 1.00 0.00 C ATOM 93 O SER A 20 -14.091 -4.867 -5.725 1.00 0.00 O ATOM 94 CB SER A 20 -16.008 -2.671 -7.607 1.00 0.00 C ATOM 95 OG SER A 20 -15.216 -1.808 -8.416 1.00 0.00 O ATOM 0 H SER A 20 -14.871 -0.819 -6.252 1.00 0.00 H new ATOM 0 HA SER A 20 -16.075 -3.392 -5.618 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.136 -3.632 -8.106 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.003 -2.245 -7.475 1.00 0.00 H new ATOM 0 HG SER A 20 -14.542 -1.365 -7.859 1.00 0.00 H new ATOM 101 N SER A 21 -13.019 -3.283 -6.917 1.00 0.00 N ATOM 102 CA SER A 21 -11.748 -4.020 -7.019 1.00 0.00 C ATOM 103 C SER A 21 -11.133 -4.461 -5.687 1.00 0.00 C ATOM 104 O SER A 21 -10.393 -5.443 -5.664 1.00 0.00 O ATOM 105 CB SER A 21 -10.639 -3.274 -7.740 1.00 0.00 C ATOM 106 OG SER A 21 -11.092 -2.868 -9.040 1.00 0.00 O ATOM 0 H SER A 21 -12.991 -2.355 -7.339 1.00 0.00 H new ATOM 0 HA SER A 21 -12.079 -4.887 -7.591 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.339 -2.401 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.760 -3.912 -7.834 1.00 0.00 H new ATOM 0 HG SER A 21 -11.197 -3.657 -9.611 1.00 0.00 H new ATOM 112 N TRP A 22 -11.397 -3.706 -4.618 1.00 0.00 N ATOM 113 CA TRP A 22 -10.930 -4.024 -3.249 1.00 0.00 C ATOM 114 C TRP A 22 -11.129 -5.510 -2.922 1.00 0.00 C ATOM 115 O TRP A 22 -10.162 -6.228 -2.672 1.00 0.00 O ATOM 116 CB TRP A 22 -11.688 -3.096 -2.310 1.00 0.00 C ATOM 117 CG TRP A 22 -11.198 -3.222 -0.874 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.808 -3.934 0.061 1.00 0.00 C ATOM 119 CD2 TRP A 22 -10.018 -2.740 -0.339 1.00 0.00 C ATOM 120 NE1 TRP A 22 -11.091 -3.940 1.180 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.962 -3.248 0.976 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.953 -1.966 -0.852 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.836 -3.044 1.778 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.813 -1.771 -0.051 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.753 -2.309 1.257 1.00 0.00 C ATOM 0 H TRP A 22 -11.945 -2.847 -4.669 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.858 -3.860 -3.142 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.571 -2.065 -2.645 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.753 -3.326 -2.352 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.754 -4.438 -0.068 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.357 -4.397 2.052 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.013 -1.533 -1.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.797 -3.443 2.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.977 -1.206 -0.437 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.870 -2.155 1.860 1.00 0.00 H new ATOM 136 N LYS A 23 -12.324 -6.009 -3.228 1.00 0.00 N ATOM 137 CA LYS A 23 -12.658 -7.431 -3.040 1.00 0.00 C ATOM 138 C LYS A 23 -11.817 -8.393 -3.897 1.00 0.00 C ATOM 139 O LYS A 23 -10.924 -9.029 -3.340 1.00 0.00 O ATOM 140 CB LYS A 23 -14.159 -7.654 -3.155 1.00 0.00 C ATOM 141 CG LYS A 23 -14.727 -7.132 -1.844 1.00 0.00 C ATOM 142 CD LYS A 23 -16.247 -6.963 -1.875 1.00 0.00 C ATOM 143 CE LYS A 23 -16.743 -6.377 -0.545 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.129 -5.064 -0.317 1.00 0.00 N ATOM 0 H LYS A 23 -13.087 -5.450 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.373 -7.691 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.575 -7.118 -4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.393 -8.709 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.460 -7.818 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.265 -6.173 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.530 -6.307 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.724 -7.926 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.829 -6.282 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.495 -7.051 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.714 -4.518 0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.177 -5.191 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.061 -4.551 -1.219 1.00 0.00 H new ATOM 158 N GLU A 24 -11.867 -8.235 -5.215 1.00 0.00 N ATOM 159 CA GLU A 24 -11.095 -9.106 -6.130 1.00 0.00 C ATOM 160 C GLU A 24 -9.561 -9.096 -5.897 1.00 0.00 C ATOM 161 O GLU A 24 -8.900 -10.121 -6.064 1.00 0.00 O ATOM 162 CB GLU A 24 -11.409 -8.817 -7.613 1.00 0.00 C ATOM 163 CG GLU A 24 -10.819 -7.490 -8.075 1.00 0.00 C ATOM 164 CD GLU A 24 -10.932 -7.179 -9.574 1.00 0.00 C ATOM 165 OE1 GLU A 24 -10.943 -5.968 -9.871 1.00 0.00 O ATOM 166 OE2 GLU A 24 -10.962 -8.128 -10.389 1.00 0.00 O ATOM 0 H GLU A 24 -12.426 -7.521 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.434 -10.112 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.014 -9.624 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.489 -8.803 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.307 -6.688 -7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.764 -7.471 -7.800 1.00 0.00 H new ATOM 174 N PHE A 25 -9.015 -7.928 -5.523 1.00 0.00 N ATOM 175 CA PHE A 25 -7.564 -7.794 -5.319 1.00 0.00 C ATOM 176 C PHE A 25 -6.990 -8.025 -3.930 1.00 0.00 C ATOM 177 O PHE A 25 -6.173 -8.913 -3.719 1.00 0.00 O ATOM 178 CB PHE A 25 -7.105 -6.444 -5.878 1.00 0.00 C ATOM 179 CG PHE A 25 -6.880 -6.536 -7.383 1.00 0.00 C ATOM 180 CD1 PHE A 25 -5.891 -7.418 -7.878 1.00 0.00 C ATOM 181 CD2 PHE A 25 -7.586 -5.679 -8.258 1.00 0.00 C ATOM 182 CE1 PHE A 25 -5.586 -7.442 -9.253 1.00 0.00 C ATOM 183 CE2 PHE A 25 -7.296 -5.703 -9.634 1.00 0.00 C ATOM 184 CZ PHE A 25 -6.302 -6.578 -10.120 1.00 0.00 C ATOM 0 H PHE A 25 -9.548 -7.074 -5.358 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.153 -8.644 -5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.853 -5.681 -5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.183 -6.134 -5.385 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.368 -8.075 -7.199 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.342 -5.011 -7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.824 -8.103 -9.638 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.831 -5.056 -10.314 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.081 -6.590 -11.177 1.00 0.00 H new ATOM 194 N VAL A 26 -7.639 -7.391 -2.974 1.00 0.00 N ATOM 195 CA VAL A 26 -7.161 -7.353 -1.577 1.00 0.00 C ATOM 196 C VAL A 26 -7.717 -8.553 -0.784 1.00 0.00 C ATOM 197 O VAL A 26 -7.008 -9.163 0.015 1.00 0.00 O ATOM 198 CB VAL A 26 -7.480 -5.998 -0.903 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.996 -5.931 0.546 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.823 -4.854 -1.684 1.00 0.00 C ATOM 0 H VAL A 26 -8.511 -6.885 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.075 -7.441 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.566 -5.900 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.247 -4.958 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.480 -6.715 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.916 -6.072 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.054 -3.904 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.743 -4.999 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.205 -4.844 -2.705 1.00 0.00 H new ATOM 210 N LEU A 27 -8.978 -8.860 -1.055 1.00 0.00 N ATOM 211 CA LEU A 27 -9.644 -10.009 -0.424 1.00 0.00 C ATOM 212 C LEU A 27 -9.483 -11.316 -1.222 1.00 0.00 C ATOM 213 O LEU A 27 -9.322 -12.373 -0.617 1.00 0.00 O ATOM 214 CB LEU A 27 -11.120 -9.707 -0.143 1.00 0.00 C ATOM 215 CG LEU A 27 -11.361 -8.785 1.053 1.00 0.00 C ATOM 216 CD1 LEU A 27 -10.954 -7.327 0.788 1.00 0.00 C ATOM 217 CD2 LEU A 27 -12.832 -8.832 1.450 1.00 0.00 C ATOM 0 H LEU A 27 -9.565 -8.336 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.139 -10.171 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.560 -9.253 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.644 -10.647 0.027 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.729 -9.152 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.151 -6.727 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.891 -7.284 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.530 -6.935 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.000 -8.174 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.446 -8.503 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.103 -9.852 1.720 1.00 0.00 H new ATOM 229 N GLU A 28 -9.412 -11.226 -2.558 1.00 0.00 N ATOM 230 CA GLU A 28 -9.368 -12.408 -3.447 1.00 0.00 C ATOM 231 C GLU A 28 -8.182 -12.533 -4.422 1.00 0.00 C ATOM 232 O GLU A 28 -8.334 -13.011 -5.549 1.00 0.00 O ATOM 233 CB GLU A 28 -10.679 -12.540 -4.230 1.00 0.00 C ATOM 234 CG GLU A 28 -11.856 -13.124 -3.438 1.00 0.00 C ATOM 235 CD GLU A 28 -12.701 -12.032 -2.775 1.00 0.00 C ATOM 236 OE1 GLU A 28 -13.376 -11.289 -3.514 1.00 0.00 O ATOM 237 OE2 GLU A 28 -12.662 -11.976 -1.529 1.00 0.00 O ATOM 0 H GLU A 28 -9.383 -10.337 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.219 -13.227 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.964 -11.555 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.501 -13.169 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.485 -13.714 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.477 -13.803 -2.674 1.00 0.00 H new ATOM 245 N SER A 29 -6.961 -12.260 -3.944 1.00 0.00 N ATOM 246 CA SER A 29 -5.749 -12.349 -4.804 1.00 0.00 C ATOM 247 C SER A 29 -4.457 -12.509 -4.018 1.00 0.00 C ATOM 248 O SER A 29 -4.268 -11.860 -2.982 1.00 0.00 O ATOM 249 CB SER A 29 -5.558 -11.197 -5.791 1.00 0.00 C ATOM 250 OG SER A 29 -6.523 -11.262 -6.839 1.00 0.00 O ATOM 0 H SER A 29 -6.776 -11.978 -2.981 1.00 0.00 H new ATOM 0 HA SER A 29 -5.954 -13.253 -5.377 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.647 -10.245 -5.267 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.554 -11.236 -6.213 1.00 0.00 H new ATOM 0 HG SER A 29 -7.301 -10.716 -6.602 1.00 0.00 H new ATOM 256 N GLU A 30 -3.758 -13.570 -4.403 1.00 0.00 N ATOM 257 CA GLU A 30 -2.483 -14.114 -3.866 1.00 0.00 C ATOM 258 C GLU A 30 -2.660 -14.782 -2.494 1.00 0.00 C ATOM 259 O GLU A 30 -2.162 -15.882 -2.258 1.00 0.00 O ATOM 260 CB GLU A 30 -1.357 -13.060 -3.821 1.00 0.00 C ATOM 261 CG GLU A 30 0.014 -13.727 -3.628 1.00 0.00 C ATOM 262 CD GLU A 30 1.133 -12.721 -3.354 1.00 0.00 C ATOM 263 OE1 GLU A 30 1.270 -12.338 -2.180 1.00 0.00 O ATOM 264 OE2 GLU A 30 1.761 -12.291 -4.353 1.00 0.00 O ATOM 0 H GLU A 30 -4.092 -14.141 -5.179 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.177 -14.886 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.358 -12.482 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.542 -12.359 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.044 -14.432 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.261 -14.303 -4.520 1.00 0.00 H new ATOM 272 N VAL A 31 -3.483 -14.090 -1.712 1.00 0.00 N ATOM 273 CA VAL A 31 -3.946 -14.301 -0.328 1.00 0.00 C ATOM 274 C VAL A 31 -3.213 -13.320 0.615 1.00 0.00 C ATOM 275 O VAL A 31 -3.890 -12.383 1.051 1.00 0.00 O ATOM 276 CB VAL A 31 -4.182 -15.766 0.110 1.00 0.00 C ATOM 277 CG1 VAL A 31 -4.540 -15.908 1.590 1.00 0.00 C ATOM 278 CG2 VAL A 31 -5.299 -16.383 -0.732 1.00 0.00 C ATOM 0 H VAL A 31 -3.907 -13.240 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.997 -14.021 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.239 -16.289 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.692 -16.961 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.729 -15.511 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.455 -15.353 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.462 -17.415 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.217 -15.812 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.015 -16.362 -1.784 1.00 0.00 H new ATOM 288 N PRO A 32 -1.878 -13.368 0.802 1.00 0.00 N ATOM 289 CA PRO A 32 -1.175 -12.323 1.559 1.00 0.00 C ATOM 290 C PRO A 32 -1.100 -11.078 0.656 1.00 0.00 C ATOM 291 O PRO A 32 -0.803 -11.159 -0.529 1.00 0.00 O ATOM 292 CB PRO A 32 0.204 -12.884 1.869 1.00 0.00 C ATOM 293 CG PRO A 32 0.100 -14.375 1.588 1.00 0.00 C ATOM 294 CD PRO A 32 -0.926 -14.447 0.457 1.00 0.00 C ATOM 0 HA PRO A 32 -1.669 -12.042 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.968 -12.418 1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.481 -12.697 2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.060 -14.796 1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.230 -14.928 2.467 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.465 -14.282 -0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.416 -15.420 0.418 1.00 0.00 H new ATOM 302 N VAL A 33 -1.616 -9.990 1.209 1.00 0.00 N ATOM 303 CA VAL A 33 -1.794 -8.717 0.474 1.00 0.00 C ATOM 304 C VAL A 33 -1.154 -7.529 1.217 1.00 0.00 C ATOM 305 O VAL A 33 -1.337 -7.371 2.428 1.00 0.00 O ATOM 306 CB VAL A 33 -3.309 -8.550 0.245 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.740 -7.127 -0.105 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.818 -9.521 -0.823 1.00 0.00 C ATOM 0 H VAL A 33 -1.927 -9.951 2.179 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.277 -8.740 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.764 -8.783 1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.820 -7.099 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.465 -6.453 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.243 -6.812 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.890 -9.379 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.301 -9.331 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.626 -10.546 -0.505 1.00 0.00 H new ATOM 318 N MET A 34 -0.650 -6.618 0.402 1.00 0.00 N ATOM 319 CA MET A 34 -0.129 -5.318 0.859 1.00 0.00 C ATOM 320 C MET A 34 -0.909 -4.210 0.151 1.00 0.00 C ATOM 321 O MET A 34 -1.132 -4.250 -1.061 1.00 0.00 O ATOM 322 CB MET A 34 1.351 -5.192 0.520 1.00 0.00 C ATOM 323 CG MET A 34 1.913 -3.859 1.027 1.00 0.00 C ATOM 324 SD MET A 34 3.712 -3.654 0.783 1.00 0.00 S ATOM 325 CE MET A 34 4.324 -4.739 2.043 1.00 0.00 C ATOM 0 H MET A 34 -0.585 -6.751 -0.607 1.00 0.00 H new ATOM 0 HA MET A 34 -0.246 -5.237 1.940 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.903 -6.018 0.968 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.489 -5.263 -0.559 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.395 -3.045 0.520 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.690 -3.766 2.090 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.781 -4.151 2.839 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.500 -5.324 2.452 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.068 -5.411 1.615 1.00 0.00 H new ATOM 335 N VAL A 35 -1.278 -3.208 0.934 1.00 0.00 N ATOM 336 CA VAL A 35 -2.005 -2.045 0.401 1.00 0.00 C ATOM 337 C VAL A 35 -1.423 -0.688 0.858 1.00 0.00 C ATOM 338 O VAL A 35 -1.348 -0.376 2.043 1.00 0.00 O ATOM 339 CB VAL A 35 -3.503 -2.221 0.680 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.861 -2.126 2.163 1.00 0.00 C ATOM 341 CG2 VAL A 35 -4.296 -1.187 -0.107 1.00 0.00 C ATOM 0 H VAL A 35 -1.092 -3.168 1.936 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.869 -2.010 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.764 -3.230 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.936 -2.260 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.333 -2.903 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.570 -1.148 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.360 -1.315 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.988 -0.186 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.109 -1.319 -1.173 1.00 0.00 H new ATOM 351 N ASP A 36 -1.012 0.058 -0.158 1.00 0.00 N ATOM 352 CA ASP A 36 -0.477 1.415 -0.053 1.00 0.00 C ATOM 353 C ASP A 36 -1.631 2.430 -0.152 1.00 0.00 C ATOM 354 O ASP A 36 -2.397 2.434 -1.115 1.00 0.00 O ATOM 355 CB ASP A 36 0.498 1.624 -1.200 1.00 0.00 C ATOM 356 CG ASP A 36 1.349 2.876 -1.056 1.00 0.00 C ATOM 357 OD1 ASP A 36 2.341 2.780 -0.303 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.991 3.908 -1.675 1.00 0.00 O ATOM 0 H ASP A 36 -1.042 -0.277 -1.121 1.00 0.00 H new ATOM 0 HA ASP A 36 0.030 1.556 0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.153 0.756 -1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.060 1.680 -2.135 1.00 0.00 H new ATOM 364 N PHE A 37 -1.768 3.206 0.923 1.00 0.00 N ATOM 365 CA PHE A 37 -2.718 4.329 0.964 1.00 0.00 C ATOM 366 C PHE A 37 -1.967 5.657 0.852 1.00 0.00 C ATOM 367 O PHE A 37 -1.085 5.971 1.661 1.00 0.00 O ATOM 368 CB PHE A 37 -3.528 4.378 2.257 1.00 0.00 C ATOM 369 CG PHE A 37 -4.625 3.318 2.332 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.356 2.021 2.820 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.933 3.697 1.947 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.407 1.083 2.918 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.986 2.766 2.060 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.714 1.453 2.530 1.00 0.00 C ATOM 0 H PHE A 37 -1.233 3.081 1.782 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.398 4.175 0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.853 4.251 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.981 5.365 2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.354 1.748 3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.123 4.691 1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.212 0.087 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.993 3.049 1.791 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.514 0.731 2.591 1.00 0.00 H new ATOM 384 N TRP A 38 -2.395 6.425 -0.146 1.00 0.00 N ATOM 385 CA TRP A 38 -1.842 7.757 -0.434 1.00 0.00 C ATOM 386 C TRP A 38 -2.981 8.777 -0.545 1.00 0.00 C ATOM 387 O TRP A 38 -4.091 8.439 -0.968 1.00 0.00 O ATOM 388 CB TRP A 38 -0.957 7.675 -1.690 1.00 0.00 C ATOM 389 CG TRP A 38 -1.724 7.745 -3.004 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.379 6.734 -3.548 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.046 8.887 -3.723 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.071 7.150 -4.602 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.940 8.465 -4.723 1.00 0.00 C ATOM 394 CE3 TRP A 38 -1.796 10.268 -3.527 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.626 9.407 -5.522 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -2.483 11.198 -4.314 1.00 0.00 C ATOM 397 CH2 TRP A 38 -3.399 10.782 -5.308 1.00 0.00 C ATOM 0 H TRP A 38 -3.139 6.145 -0.785 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.204 8.102 0.379 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.232 8.488 -1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.392 6.743 -1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.355 5.716 -3.187 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.618 6.552 -5.222 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.087 10.597 -2.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.315 9.078 -6.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.311 12.253 -4.160 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.923 11.516 -5.902 1.00 0.00 H new ATOM 408 N ALA A 39 -2.687 10.044 -0.248 1.00 0.00 N ATOM 409 CA ALA A 39 -3.716 11.105 -0.233 1.00 0.00 C ATOM 410 C ALA A 39 -3.209 12.303 -1.039 1.00 0.00 C ATOM 411 O ALA A 39 -2.039 12.677 -0.865 1.00 0.00 O ATOM 412 CB ALA A 39 -4.051 11.525 1.197 1.00 0.00 C ATOM 0 H ALA A 39 -1.749 10.368 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.630 10.720 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.811 12.307 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.429 10.665 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.153 11.904 1.685 1.00 0.00 H new ATOM 418 N PRO A 40 -4.058 12.928 -1.866 1.00 0.00 N ATOM 419 CA PRO A 40 -3.664 14.073 -2.707 1.00 0.00 C ATOM 420 C PRO A 40 -2.997 15.226 -1.940 1.00 0.00 C ATOM 421 O PRO A 40 -1.958 15.724 -2.351 1.00 0.00 O ATOM 422 CB PRO A 40 -4.924 14.489 -3.473 1.00 0.00 C ATOM 423 CG PRO A 40 -6.082 13.784 -2.770 1.00 0.00 C ATOM 424 CD PRO A 40 -5.472 12.564 -2.089 1.00 0.00 C ATOM 0 HA PRO A 40 -2.872 13.777 -3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.055 15.571 -3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.862 14.193 -4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.557 14.442 -2.042 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.852 13.490 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.977 12.341 -1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.558 11.676 -2.715 1.00 0.00 H new ATOM 557 N ALA A 49 4.265 4.288 -2.996 1.00 0.00 N ATOM 558 CA ALA A 49 3.706 3.318 -3.960 1.00 0.00 C ATOM 559 C ALA A 49 4.758 2.492 -4.742 1.00 0.00 C ATOM 560 O ALA A 49 4.689 1.263 -4.694 1.00 0.00 O ATOM 561 CB ALA A 49 2.599 3.929 -4.827 1.00 0.00 C ATOM 0 HA ALA A 49 3.217 2.557 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.221 3.176 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.786 4.276 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.001 4.770 -5.391 1.00 0.00 H new ATOM 567 N PRO A 50 5.816 3.107 -5.290 1.00 0.00 N ATOM 568 CA PRO A 50 6.992 2.432 -5.886 1.00 0.00 C ATOM 569 C PRO A 50 7.672 1.532 -4.842 1.00 0.00 C ATOM 570 O PRO A 50 7.964 0.380 -5.137 1.00 0.00 O ATOM 571 CB PRO A 50 7.950 3.549 -6.279 1.00 0.00 C ATOM 572 CG PRO A 50 7.051 4.745 -6.552 1.00 0.00 C ATOM 573 CD PRO A 50 5.871 4.542 -5.588 1.00 0.00 C ATOM 0 HA PRO A 50 6.706 1.810 -6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.661 3.761 -5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 50 8.532 3.281 -7.161 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.567 5.686 -6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.720 4.768 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.012 5.122 -4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.939 4.880 -6.040 1.00 0.00 H new ATOM 581 N VAL A 51 7.918 2.075 -3.651 1.00 0.00 N ATOM 582 CA VAL A 51 8.433 1.296 -2.492 1.00 0.00 C ATOM 583 C VAL A 51 7.631 0.001 -2.281 1.00 0.00 C ATOM 584 O VAL A 51 8.199 -1.081 -2.422 1.00 0.00 O ATOM 585 CB VAL A 51 8.509 2.242 -1.274 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.490 1.558 0.097 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.722 3.161 -1.402 1.00 0.00 C ATOM 0 H VAL A 51 7.771 3.064 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 51 9.444 0.933 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 51 7.585 2.819 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.548 2.313 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.566 0.990 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.343 0.884 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.768 3.825 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.630 2.560 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.634 3.755 -2.312 1.00 0.00 H new ATOM 597 N ILE A 52 6.301 0.112 -2.217 1.00 0.00 N ATOM 598 CA ILE A 52 5.380 -1.036 -2.144 1.00 0.00 C ATOM 599 C ILE A 52 5.550 -2.011 -3.318 1.00 0.00 C ATOM 600 O ILE A 52 5.869 -3.182 -3.107 1.00 0.00 O ATOM 601 CB ILE A 52 3.967 -0.443 -1.927 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.608 -0.348 -0.445 1.00 0.00 C ATOM 603 CG2 ILE A 52 2.813 -1.116 -2.685 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.541 0.548 0.374 1.00 0.00 C ATOM 0 H ILE A 52 5.823 1.013 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 52 5.601 -1.694 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 52 4.063 0.550 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.589 0.029 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.617 -1.350 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.878 -0.609 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.998 -1.055 -3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.744 -2.162 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.215 0.559 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.559 0.162 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.515 1.562 -0.025 1.00 0.00 H new ATOM 616 N ASP A 53 5.649 -1.419 -4.498 1.00 0.00 N ATOM 617 CA ASP A 53 5.846 -2.160 -5.770 1.00 0.00 C ATOM 618 C ASP A 53 7.137 -2.993 -5.814 1.00 0.00 C ATOM 619 O ASP A 53 7.224 -4.053 -6.431 1.00 0.00 O ATOM 620 CB ASP A 53 5.796 -1.187 -6.957 1.00 0.00 C ATOM 621 CG ASP A 53 4.450 -0.468 -7.097 1.00 0.00 C ATOM 622 OD1 ASP A 53 3.453 -1.004 -6.558 1.00 0.00 O ATOM 623 OD2 ASP A 53 4.468 0.678 -7.584 1.00 0.00 O ATOM 0 H ASP A 53 5.597 -0.408 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 53 5.027 -2.877 -5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.586 -0.445 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.004 -1.735 -7.876 1.00 0.00 H new ATOM 629 N GLU A 54 8.120 -2.480 -5.103 1.00 0.00 N ATOM 630 CA GLU A 54 9.444 -3.105 -4.890 1.00 0.00 C ATOM 631 C GLU A 54 9.446 -4.166 -3.783 1.00 0.00 C ATOM 632 O GLU A 54 9.995 -5.242 -3.998 1.00 0.00 O ATOM 633 CB GLU A 54 10.443 -2.035 -4.496 1.00 0.00 C ATOM 634 CG GLU A 54 10.788 -1.078 -5.641 1.00 0.00 C ATOM 635 CD GLU A 54 11.548 0.135 -5.120 1.00 0.00 C ATOM 636 OE1 GLU A 54 10.898 1.177 -4.933 1.00 0.00 O ATOM 637 OE2 GLU A 54 12.776 -0.004 -4.939 1.00 0.00 O ATOM 0 H GLU A 54 8.032 -1.580 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 54 9.707 -3.594 -5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.040 -1.461 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.357 -2.513 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.390 -1.597 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.874 -0.754 -6.139 1.00 0.00 H new ATOM 645 N LEU A 55 8.787 -3.875 -2.659 1.00 0.00 N ATOM 646 CA LEU A 55 8.664 -4.821 -1.522 1.00 0.00 C ATOM 647 C LEU A 55 8.127 -6.197 -1.927 1.00 0.00 C ATOM 648 O LEU A 55 8.646 -7.227 -1.502 1.00 0.00 O ATOM 649 CB LEU A 55 7.738 -4.242 -0.444 1.00 0.00 C ATOM 650 CG LEU A 55 8.248 -2.939 0.204 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.117 -2.304 1.016 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.474 -3.169 1.081 1.00 0.00 C ATOM 0 H LEU A 55 8.321 -2.982 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 55 9.676 -4.956 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.759 -4.054 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.597 -4.990 0.336 1.00 0.00 H new ATOM 0 HG LEU A 55 8.557 -2.263 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.473 -1.382 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.278 -2.080 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.794 -2.996 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.794 -2.221 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.224 -3.867 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.281 -3.583 0.477 1.00 0.00 H new ATOM 664 N ALA A 56 7.319 -6.134 -2.976 1.00 0.00 N ATOM 665 CA ALA A 56 6.714 -7.301 -3.665 1.00 0.00 C ATOM 666 C ALA A 56 7.780 -8.303 -4.153 1.00 0.00 C ATOM 667 O ALA A 56 7.719 -9.498 -3.860 1.00 0.00 O ATOM 668 CB ALA A 56 5.913 -6.797 -4.863 1.00 0.00 C ATOM 0 H ALA A 56 7.048 -5.246 -3.397 1.00 0.00 H new ATOM 0 HA ALA A 56 6.073 -7.822 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.461 -7.643 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.129 -6.122 -4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.576 -6.265 -5.546 1.00 0.00 H new ATOM 674 N LYS A 57 8.764 -7.788 -4.905 1.00 0.00 N ATOM 675 CA LYS A 57 9.875 -8.586 -5.445 1.00 0.00 C ATOM 676 C LYS A 57 11.060 -8.777 -4.489 1.00 0.00 C ATOM 677 O LYS A 57 11.761 -9.787 -4.581 1.00 0.00 O ATOM 678 CB LYS A 57 10.279 -8.090 -6.835 1.00 0.00 C ATOM 679 CG LYS A 57 10.706 -6.621 -6.882 1.00 0.00 C ATOM 680 CD LYS A 57 10.636 -6.096 -8.313 1.00 0.00 C ATOM 681 CE LYS A 57 11.022 -4.627 -8.379 1.00 0.00 C ATOM 682 NZ LYS A 57 12.429 -4.619 -8.809 1.00 0.00 N ATOM 0 H LYS A 57 8.812 -6.801 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 57 9.491 -9.600 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.099 -8.706 -7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.441 -8.234 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.059 -6.026 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.721 -6.518 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.302 -6.679 -8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.626 -6.227 -8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.391 -4.085 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.904 -4.144 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.766 -3.637 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.007 -5.136 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.511 -5.078 -9.739 1.00 0.00 H new ATOM 696 N GLU A 58 11.143 -7.887 -3.506 1.00 0.00 N ATOM 697 CA GLU A 58 12.159 -7.895 -2.434 1.00 0.00 C ATOM 698 C GLU A 58 12.057 -9.192 -1.621 1.00 0.00 C ATOM 699 O GLU A 58 12.937 -10.047 -1.688 1.00 0.00 O ATOM 700 CB GLU A 58 11.848 -6.650 -1.603 1.00 0.00 C ATOM 701 CG GLU A 58 13.006 -6.133 -0.760 1.00 0.00 C ATOM 702 CD GLU A 58 12.630 -4.821 -0.060 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.263 -3.876 -0.791 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.715 -4.801 1.183 1.00 0.00 O ATOM 0 H GLU A 58 10.488 -7.110 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 58 13.183 -7.868 -2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.524 -5.855 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.009 -6.872 -0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.282 -6.881 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.880 -5.975 -1.393 1.00 0.00 H new ATOM 712 N TYR A 59 10.889 -9.398 -1.016 1.00 0.00 N ATOM 713 CA TYR A 59 10.533 -10.690 -0.400 1.00 0.00 C ATOM 714 C TYR A 59 9.542 -11.372 -1.354 1.00 0.00 C ATOM 715 O TYR A 59 8.339 -11.136 -1.331 1.00 0.00 O ATOM 716 CB TYR A 59 10.037 -10.600 1.050 1.00 0.00 C ATOM 717 CG TYR A 59 9.421 -9.264 1.442 1.00 0.00 C ATOM 718 CD1 TYR A 59 8.057 -9.001 1.212 1.00 0.00 C ATOM 719 CD2 TYR A 59 10.283 -8.340 2.077 1.00 0.00 C ATOM 720 CE1 TYR A 59 7.529 -7.768 1.632 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.749 -7.115 2.487 1.00 0.00 C ATOM 722 CZ TYR A 59 8.385 -6.841 2.258 1.00 0.00 C ATOM 723 OH TYR A 59 7.908 -5.605 2.560 1.00 0.00 O ATOM 0 H TYR A 59 10.163 -8.686 -0.935 1.00 0.00 H new ATOM 0 HA TYR A 59 11.432 -11.296 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.298 -11.385 1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.874 -10.806 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.430 -9.732 0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.325 -8.574 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.486 -7.536 1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.376 -6.384 2.975 1.00 0.00 H new ATOM 0 HH TYR A 59 6.963 -5.548 2.305 1.00 0.00 H new ATOM 733 N SER A 60 10.194 -11.812 -2.422 1.00 0.00 N ATOM 734 CA SER A 60 9.656 -12.484 -3.622 1.00 0.00 C ATOM 735 C SER A 60 8.274 -13.135 -3.467 1.00 0.00 C ATOM 736 O SER A 60 8.120 -14.171 -2.812 1.00 0.00 O ATOM 737 CB SER A 60 10.666 -13.500 -4.157 1.00 0.00 C ATOM 738 OG SER A 60 11.952 -12.889 -4.268 1.00 0.00 O ATOM 0 H SER A 60 11.206 -11.703 -2.487 1.00 0.00 H new ATOM 0 HA SER A 60 9.497 -11.678 -4.339 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.718 -14.361 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.343 -13.870 -5.130 1.00 0.00 H new ATOM 0 HG SER A 60 11.846 -11.920 -4.366 1.00 0.00 H new ATOM 744 N GLY A 61 7.298 -12.353 -3.892 1.00 0.00 N ATOM 745 CA GLY A 61 5.867 -12.733 -3.974 1.00 0.00 C ATOM 746 C GLY A 61 5.140 -12.965 -2.642 1.00 0.00 C ATOM 747 O GLY A 61 4.050 -13.534 -2.629 1.00 0.00 O ATOM 0 H GLY A 61 7.469 -11.397 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.338 -11.952 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.790 -13.644 -4.567 1.00 0.00 H new ATOM 751 N LYS A 62 5.694 -12.429 -1.556 1.00 0.00 N ATOM 752 CA LYS A 62 5.127 -12.519 -0.197 1.00 0.00 C ATOM 753 C LYS A 62 3.721 -11.922 -0.037 1.00 0.00 C ATOM 754 O LYS A 62 2.830 -12.562 0.502 1.00 0.00 O ATOM 755 CB LYS A 62 6.078 -11.807 0.782 1.00 0.00 C ATOM 756 CG LYS A 62 6.947 -12.758 1.600 1.00 0.00 C ATOM 757 CD LYS A 62 7.765 -13.749 0.770 1.00 0.00 C ATOM 758 CE LYS A 62 8.681 -14.487 1.744 1.00 0.00 C ATOM 759 NZ LYS A 62 9.036 -15.774 1.143 1.00 0.00 N ATOM 0 H LYS A 62 6.569 -11.907 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 62 5.026 -13.584 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.724 -11.132 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.489 -11.192 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.629 -12.169 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.307 -13.318 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.112 -14.448 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.348 -13.229 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.577 -13.900 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.179 -14.638 2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.661 -16.298 1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.172 -16.328 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.527 -15.612 0.241 1.00 0.00 H new ATOM 773 N ILE A 63 3.589 -10.690 -0.505 1.00 0.00 N ATOM 774 CA ILE A 63 2.386 -9.850 -0.376 1.00 0.00 C ATOM 775 C ILE A 63 2.010 -9.188 -1.718 1.00 0.00 C ATOM 776 O ILE A 63 2.862 -8.682 -2.443 1.00 0.00 O ATOM 777 CB ILE A 63 2.546 -8.828 0.775 1.00 0.00 C ATOM 778 CG1 ILE A 63 3.961 -8.244 0.945 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.114 -9.446 2.101 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.459 -7.400 -0.227 1.00 0.00 C ATOM 0 H ILE A 63 4.342 -10.220 -1.007 1.00 0.00 H new ATOM 0 HA ILE A 63 1.547 -10.494 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 63 1.902 -7.997 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.979 -7.632 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.660 -9.065 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.233 -8.714 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.069 -9.748 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.731 -10.319 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.463 -7.035 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.481 -8.009 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.789 -6.553 -0.376 1.00 0.00 H new ATOM 792 N ALA A 64 0.736 -9.319 -2.077 1.00 0.00 N ATOM 793 CA ALA A 64 0.179 -8.732 -3.313 1.00 0.00 C ATOM 794 C ALA A 64 0.006 -7.212 -3.167 1.00 0.00 C ATOM 795 O ALA A 64 -0.826 -6.726 -2.388 1.00 0.00 O ATOM 796 CB ALA A 64 -1.152 -9.413 -3.645 1.00 0.00 C ATOM 0 H ALA A 64 0.051 -9.835 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 64 0.874 -8.901 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.564 -8.981 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.988 -10.481 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.852 -9.263 -2.823 1.00 0.00 H new ATOM 802 N VAL A 65 0.930 -6.488 -3.783 1.00 0.00 N ATOM 803 CA VAL A 65 1.025 -5.022 -3.693 1.00 0.00 C ATOM 804 C VAL A 65 -0.023 -4.247 -4.490 1.00 0.00 C ATOM 805 O VAL A 65 -0.155 -4.359 -5.710 1.00 0.00 O ATOM 806 CB VAL A 65 2.444 -4.537 -3.997 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.392 -4.969 -2.867 1.00 0.00 C ATOM 808 CG2 VAL A 65 2.977 -4.899 -5.382 1.00 0.00 C ATOM 0 H VAL A 65 1.652 -6.903 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 65 0.790 -4.793 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 65 2.394 -3.449 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.402 -4.622 -3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.056 -4.536 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.391 -6.056 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.989 -4.509 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.991 -5.983 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.332 -4.463 -6.145 1.00 0.00 H new ATOM 818 N TYR A 66 -0.820 -3.547 -3.688 1.00 0.00 N ATOM 819 CA TYR A 66 -1.895 -2.670 -4.159 1.00 0.00 C ATOM 820 C TYR A 66 -1.708 -1.233 -3.669 1.00 0.00 C ATOM 821 O TYR A 66 -1.064 -0.982 -2.654 1.00 0.00 O ATOM 822 CB TYR A 66 -3.247 -3.198 -3.697 1.00 0.00 C ATOM 823 CG TYR A 66 -3.496 -4.614 -4.211 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.290 -4.940 -5.572 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.750 -5.611 -3.249 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.322 -6.280 -5.975 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.796 -6.953 -3.654 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.598 -7.280 -5.010 1.00 0.00 C ATOM 829 OH TYR A 66 -3.985 -8.504 -5.431 1.00 0.00 O ATOM 0 H TYR A 66 -0.738 -3.572 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.859 -2.663 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.289 -3.192 -2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.038 -2.536 -4.050 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.109 -4.159 -6.296 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.907 -5.346 -2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.139 -6.547 -7.005 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.982 -7.732 -2.930 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.284 -8.892 -5.996 1.00 0.00 H new ATOM 839 N LYS A 67 -2.252 -0.311 -4.457 1.00 0.00 N ATOM 840 CA LYS A 67 -2.186 1.139 -4.190 1.00 0.00 C ATOM 841 C LYS A 67 -3.479 1.828 -4.611 1.00 0.00 C ATOM 842 O LYS A 67 -4.014 1.562 -5.691 1.00 0.00 O ATOM 843 CB LYS A 67 -0.976 1.827 -4.848 1.00 0.00 C ATOM 844 CG LYS A 67 -0.660 1.397 -6.290 1.00 0.00 C ATOM 845 CD LYS A 67 0.233 0.162 -6.279 1.00 0.00 C ATOM 846 CE LYS A 67 0.245 -0.604 -7.601 1.00 0.00 C ATOM 847 NZ LYS A 67 0.948 -1.857 -7.337 1.00 0.00 N ATOM 0 H LYS A 67 -2.759 -0.543 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.056 1.241 -3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.146 2.904 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.096 1.638 -4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.585 1.183 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.165 2.210 -6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.252 0.464 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.099 -0.507 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.770 -0.793 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.749 -0.031 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.166 -2.329 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.832 -1.658 -6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.346 -2.477 -6.758 1.00 0.00 H new ATOM 861 N LEU A 68 -4.096 2.469 -3.627 1.00 0.00 N ATOM 862 CA LEU A 68 -5.321 3.253 -3.905 1.00 0.00 C ATOM 863 C LEU A 68 -5.290 4.741 -3.552 1.00 0.00 C ATOM 864 O LEU A 68 -4.758 5.187 -2.529 1.00 0.00 O ATOM 865 CB LEU A 68 -6.594 2.624 -3.342 1.00 0.00 C ATOM 866 CG LEU A 68 -6.720 2.689 -1.818 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.168 2.974 -1.420 1.00 0.00 C ATOM 868 CD2 LEU A 68 -6.206 1.400 -1.188 1.00 0.00 C ATOM 0 H LEU A 68 -3.791 2.472 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.341 3.209 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.456 3.122 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.635 1.580 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.105 3.507 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.245 3.018 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.481 3.928 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.812 2.180 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.302 1.461 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.790 0.557 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.158 1.259 -1.452 1.00 0.00 H new ATOM 880 N ASN A 69 -6.065 5.423 -4.377 1.00 0.00 N ATOM 881 CA ASN A 69 -6.359 6.865 -4.251 1.00 0.00 C ATOM 882 C ASN A 69 -7.462 7.012 -3.209 1.00 0.00 C ATOM 883 O ASN A 69 -8.632 6.722 -3.473 1.00 0.00 O ATOM 884 CB ASN A 69 -6.833 7.395 -5.602 1.00 0.00 C ATOM 885 CG ASN A 69 -5.891 7.179 -6.798 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.845 6.540 -6.754 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.345 7.630 -7.947 1.00 0.00 N ATOM 0 H ASN A 69 -6.526 4.991 -5.178 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.476 7.428 -3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.790 6.928 -5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.017 8.465 -5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.827 7.449 -8.807 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.215 8.161 -7.978 1.00 0.00 H new ATOM 894 N THR A 70 -7.049 7.383 -2.013 1.00 0.00 N ATOM 895 CA THR A 70 -7.977 7.616 -0.878 1.00 0.00 C ATOM 896 C THR A 70 -9.171 8.523 -1.223 1.00 0.00 C ATOM 897 O THR A 70 -10.320 8.179 -0.968 1.00 0.00 O ATOM 898 CB THR A 70 -7.226 8.241 0.298 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.552 9.425 -0.139 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.295 7.232 0.954 1.00 0.00 C ATOM 0 H THR A 70 -6.068 7.536 -1.781 1.00 0.00 H new ATOM 0 HA THR A 70 -8.374 6.634 -0.622 1.00 0.00 H new ATOM 0 HB THR A 70 -7.937 8.534 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.725 9.178 -0.602 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.775 7.705 1.787 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.876 6.387 1.322 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.566 6.881 0.223 1.00 0.00 H new ATOM 908 N ASP A 71 -8.844 9.531 -2.034 1.00 0.00 N ATOM 909 CA ASP A 71 -9.799 10.504 -2.598 1.00 0.00 C ATOM 910 C ASP A 71 -10.917 9.838 -3.409 1.00 0.00 C ATOM 911 O ASP A 71 -12.088 10.174 -3.238 1.00 0.00 O ATOM 912 CB ASP A 71 -9.049 11.559 -3.443 1.00 0.00 C ATOM 913 CG ASP A 71 -8.142 10.995 -4.542 1.00 0.00 C ATOM 914 OD1 ASP A 71 -8.496 11.165 -5.730 1.00 0.00 O ATOM 915 OD2 ASP A 71 -7.136 10.336 -4.184 1.00 0.00 O ATOM 0 H ASP A 71 -7.883 9.703 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.287 11.001 -1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.783 12.219 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.444 12.172 -2.775 1.00 0.00 H new ATOM 921 N GLU A 72 -10.539 8.790 -4.129 1.00 0.00 N ATOM 922 CA GLU A 72 -11.428 8.005 -5.002 1.00 0.00 C ATOM 923 C GLU A 72 -12.195 6.894 -4.270 1.00 0.00 C ATOM 924 O GLU A 72 -13.208 6.408 -4.771 1.00 0.00 O ATOM 925 CB GLU A 72 -10.523 7.424 -6.077 1.00 0.00 C ATOM 926 CG GLU A 72 -11.273 6.930 -7.321 1.00 0.00 C ATOM 927 CD GLU A 72 -10.239 6.473 -8.349 1.00 0.00 C ATOM 928 OE1 GLU A 72 -10.284 5.275 -8.664 1.00 0.00 O ATOM 929 OE2 GLU A 72 -9.363 7.303 -8.700 1.00 0.00 O ATOM 0 H GLU A 72 -9.579 8.446 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.211 8.646 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.800 8.182 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.957 6.595 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.941 6.108 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.893 7.726 -7.733 1.00 0.00 H new ATOM 937 N ALA A 73 -11.607 6.378 -3.188 1.00 0.00 N ATOM 938 CA ALA A 73 -12.245 5.333 -2.380 1.00 0.00 C ATOM 939 C ALA A 73 -12.416 5.720 -0.880 1.00 0.00 C ATOM 940 O ALA A 73 -11.863 5.046 -0.005 1.00 0.00 O ATOM 941 CB ALA A 73 -11.490 4.018 -2.596 1.00 0.00 C ATOM 0 H ALA A 73 -10.689 6.667 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.273 5.205 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.953 3.231 -2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.528 3.746 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.451 4.140 -2.290 1.00 0.00 H new ATOM 947 N PRO A 74 -13.326 6.669 -0.579 1.00 0.00 N ATOM 948 CA PRO A 74 -13.606 7.118 0.799 1.00 0.00 C ATOM 949 C PRO A 74 -14.050 5.962 1.705 1.00 0.00 C ATOM 950 O PRO A 74 -13.388 5.714 2.695 1.00 0.00 O ATOM 951 CB PRO A 74 -14.739 8.146 0.698 1.00 0.00 C ATOM 952 CG PRO A 74 -14.656 8.637 -0.745 1.00 0.00 C ATOM 953 CD PRO A 74 -14.195 7.404 -1.526 1.00 0.00 C ATOM 0 HA PRO A 74 -12.701 7.536 1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.708 7.696 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.603 8.963 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.621 8.998 -1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.950 9.462 -0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.042 6.795 -1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.651 7.686 -2.427 1.00 0.00 H new ATOM 961 N GLY A 75 -14.923 5.115 1.170 1.00 0.00 N ATOM 962 CA GLY A 75 -15.536 3.939 1.845 1.00 0.00 C ATOM 963 C GLY A 75 -14.500 2.956 2.394 1.00 0.00 C ATOM 964 O GLY A 75 -14.596 2.519 3.534 1.00 0.00 O ATOM 0 H GLY A 75 -15.248 5.220 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.169 4.285 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.184 3.419 1.139 1.00 0.00 H new ATOM 968 N ILE A 76 -13.446 2.710 1.608 1.00 0.00 N ATOM 969 CA ILE A 76 -12.314 1.865 2.013 1.00 0.00 C ATOM 970 C ILE A 76 -11.539 2.555 3.143 1.00 0.00 C ATOM 971 O ILE A 76 -11.463 2.036 4.260 1.00 0.00 O ATOM 972 CB ILE A 76 -11.472 1.539 0.763 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.280 0.768 -0.303 1.00 0.00 C ATOM 974 CG2 ILE A 76 -10.183 0.815 1.115 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.950 -0.516 0.204 1.00 0.00 C ATOM 0 H ILE A 76 -13.353 3.093 0.667 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.644 0.911 2.423 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.195 2.497 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.049 1.428 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.616 0.513 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.623 0.606 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.582 1.441 1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.418 -0.122 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.494 -0.989 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.189 -1.201 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.644 -0.271 1.008 1.00 0.00 H new ATOM 987 N ALA A 77 -11.142 3.794 2.885 1.00 0.00 N ATOM 988 CA ALA A 77 -10.481 4.662 3.879 1.00 0.00 C ATOM 989 C ALA A 77 -11.248 4.780 5.202 1.00 0.00 C ATOM 990 O ALA A 77 -10.638 4.644 6.267 1.00 0.00 O ATOM 991 CB ALA A 77 -10.244 6.039 3.256 1.00 0.00 C ATOM 0 H ALA A 77 -11.266 4.238 1.975 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.531 4.196 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.756 6.688 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.608 5.936 2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.199 6.475 2.964 1.00 0.00 H new ATOM 997 N THR A 78 -12.584 4.834 5.119 1.00 0.00 N ATOM 998 CA THR A 78 -13.506 4.814 6.271 1.00 0.00 C ATOM 999 C THR A 78 -13.316 3.502 7.041 1.00 0.00 C ATOM 1000 O THR A 78 -12.829 3.483 8.173 1.00 0.00 O ATOM 1001 CB THR A 78 -14.947 4.807 5.770 1.00 0.00 C ATOM 1002 OG1 THR A 78 -15.190 5.850 4.814 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.985 4.879 6.888 1.00 0.00 C ATOM 0 H THR A 78 -13.071 4.895 4.225 1.00 0.00 H new ATOM 0 HA THR A 78 -13.305 5.685 6.895 1.00 0.00 H new ATOM 0 HB THR A 78 -15.066 3.841 5.280 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.630 5.706 4.023 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.986 4.870 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.867 4.021 7.550 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.844 5.798 7.457 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.630 2.420 6.326 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.657 1.044 6.819 1.00 0.00 C ATOM 1013 C GLN A 79 -12.386 0.613 7.561 1.00 0.00 C ATOM 1014 O GLN A 79 -12.439 -0.060 8.586 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.813 0.193 5.566 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.332 -1.227 5.799 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.644 -1.917 4.466 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -13.902 -1.895 3.485 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -15.740 -2.640 4.430 1.00 0.00 N ATOM 0 H GLN A 79 -13.884 2.484 5.340 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.460 0.935 7.548 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.493 0.703 4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.846 0.131 5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.589 -1.805 6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.230 -1.194 6.416 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.361 -2.665 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.970 -3.177 3.594 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.254 1.093 7.046 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.923 0.777 7.605 1.00 0.00 C ATOM 1030 C TYR A 80 -9.370 1.814 8.585 1.00 0.00 C ATOM 1031 O TYR A 80 -8.329 1.595 9.186 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.961 0.501 6.447 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.377 -0.751 5.669 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.523 -1.978 6.349 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -10.015 -0.513 4.436 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.412 -2.955 5.830 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.914 -1.463 3.931 1.00 0.00 C ATOM 1038 CZ TYR A 80 -11.108 -2.671 4.639 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.924 -3.603 4.096 1.00 0.00 O ATOM 0 H TYR A 80 -11.225 1.709 6.234 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.035 -0.113 8.224 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.940 1.359 5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.950 0.373 6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.965 -2.172 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.813 0.393 3.884 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.552 -3.898 6.338 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.451 -1.274 3.013 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.634 -3.159 3.586 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.099 2.929 8.745 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.750 4.048 9.657 1.00 0.00 C ATOM 1051 C ASN A 81 -8.284 4.520 9.546 1.00 0.00 C ATOM 1052 O ASN A 81 -7.710 5.111 10.457 1.00 0.00 O ATOM 1053 CB ASN A 81 -10.103 3.656 11.102 1.00 0.00 C ATOM 1054 CG ASN A 81 -11.606 3.457 11.264 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -12.400 4.392 11.289 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -12.046 2.216 11.310 1.00 0.00 N ATOM 0 H ASN A 81 -10.968 3.089 8.236 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.344 4.908 9.347 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.580 2.738 11.371 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.760 4.431 11.787 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.048 2.032 11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.385 1.439 11.289 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.811 4.489 8.306 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.411 4.802 7.897 1.00 0.00 C ATOM 1065 C ILE A 82 -6.054 6.281 7.778 1.00 0.00 C ATOM 1066 O ILE A 82 -5.045 6.638 7.172 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.130 4.035 6.591 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -7.109 4.312 5.446 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.066 2.532 6.834 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -7.001 5.739 4.910 1.00 0.00 C ATOM 0 H ILE A 82 -8.401 4.237 7.513 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.761 4.476 8.709 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.162 4.417 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.921 3.608 4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.127 4.135 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.866 2.019 5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.268 2.312 7.543 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.017 2.188 7.240 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.717 5.879 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.216 6.446 5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.992 5.912 4.535 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.718 7.044 8.626 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.731 8.523 8.663 1.00 0.00 C ATOM 1084 C ARG A 83 -5.371 9.235 8.756 1.00 0.00 C ATOM 1085 O ARG A 83 -5.231 10.399 8.369 1.00 0.00 O ATOM 1086 CB ARG A 83 -7.683 8.989 9.768 1.00 0.00 C ATOM 1087 CG ARG A 83 -9.123 8.517 9.470 1.00 0.00 C ATOM 1088 CD ARG A 83 -9.608 9.131 8.154 1.00 0.00 C ATOM 1089 NE ARG A 83 -10.849 8.472 7.728 1.00 0.00 N ATOM 1090 CZ ARG A 83 -11.528 8.765 6.629 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -11.055 9.586 5.707 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -12.659 8.121 6.389 1.00 0.00 N ATOM 0 H ARG A 83 -7.302 6.639 9.357 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.084 8.826 7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.355 8.594 10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.658 10.076 9.844 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.153 7.429 9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.787 8.808 10.284 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.778 10.200 8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.843 9.019 7.386 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.217 7.731 8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.139 10.017 5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.606 9.788 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.992 7.414 7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.197 8.331 5.549 1.00 0.00 H new ATOM 1106 N SER A 84 -4.353 8.450 9.083 1.00 0.00 N ATOM 1107 CA SER A 84 -2.961 8.926 9.097 1.00 0.00 C ATOM 1108 C SER A 84 -2.297 8.384 7.821 1.00 0.00 C ATOM 1109 O SER A 84 -1.841 7.244 7.747 1.00 0.00 O ATOM 1110 CB SER A 84 -2.244 8.459 10.368 1.00 0.00 C ATOM 1111 OG SER A 84 -0.908 8.967 10.354 1.00 0.00 O ATOM 0 H SER A 84 -4.459 7.470 9.346 1.00 0.00 H new ATOM 0 HA SER A 84 -2.910 10.015 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.774 8.813 11.252 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.234 7.370 10.418 1.00 0.00 H new ATOM 0 HG SER A 84 -0.491 8.814 11.228 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.600 9.127 6.758 1.00 0.00 N ATOM 1118 CA ILE A 85 -2.097 8.849 5.399 1.00 0.00 C ATOM 1119 C ILE A 85 -0.780 9.639 5.243 1.00 0.00 C ATOM 1120 O ILE A 85 -0.802 10.840 5.523 1.00 0.00 O ATOM 1121 CB ILE A 85 -3.170 9.246 4.362 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -4.555 8.680 4.715 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -2.771 8.681 2.998 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -5.719 9.493 4.136 1.00 0.00 C ATOM 0 H ILE A 85 -3.205 9.946 6.808 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.895 7.791 5.235 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.230 10.334 4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.623 7.655 4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.656 8.640 5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.522 8.955 2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.804 9.090 2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.702 7.595 3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.664 9.034 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.678 10.512 4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.644 9.512 3.049 1.00 0.00 H new ATOM 1136 N PRO A 86 0.323 9.002 4.802 1.00 0.00 N ATOM 1137 CA PRO A 86 0.432 7.599 4.326 1.00 0.00 C ATOM 1138 C PRO A 86 0.285 6.473 5.347 1.00 0.00 C ATOM 1139 O PRO A 86 0.822 6.527 6.453 1.00 0.00 O ATOM 1140 CB PRO A 86 1.786 7.548 3.618 1.00 0.00 C ATOM 1141 CG PRO A 86 2.627 8.577 4.365 1.00 0.00 C ATOM 1142 CD PRO A 86 1.631 9.682 4.712 1.00 0.00 C ATOM 0 HA PRO A 86 -0.430 7.390 3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.229 6.554 3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.694 7.798 2.561 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.078 8.150 5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.441 8.953 3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.890 10.166 5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.621 10.459 3.947 1.00 0.00 H new ATOM 1150 N THR A 87 -0.361 5.416 4.866 1.00 0.00 N ATOM 1151 CA THR A 87 -0.649 4.192 5.647 1.00 0.00 C ATOM 1152 C THR A 87 -0.408 2.969 4.747 1.00 0.00 C ATOM 1153 O THR A 87 -0.753 2.983 3.564 1.00 0.00 O ATOM 1154 CB THR A 87 -2.122 4.119 6.066 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.795 5.361 5.854 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.232 3.693 7.530 1.00 0.00 C ATOM 0 H THR A 87 -0.710 5.373 3.908 1.00 0.00 H new ATOM 0 HA THR A 87 -0.009 4.209 6.529 1.00 0.00 H new ATOM 0 HB THR A 87 -2.610 3.373 5.439 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.464 6.026 6.493 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.282 3.644 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.775 2.712 7.659 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.717 4.419 8.160 1.00 0.00 H new ATOM 1164 N VAL A 88 0.168 1.935 5.333 1.00 0.00 N ATOM 1165 CA VAL A 88 0.409 0.665 4.620 1.00 0.00 C ATOM 1166 C VAL A 88 0.029 -0.548 5.489 1.00 0.00 C ATOM 1167 O VAL A 88 0.537 -0.737 6.602 1.00 0.00 O ATOM 1168 CB VAL A 88 1.833 0.636 4.014 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.955 0.615 5.051 1.00 0.00 C ATOM 1170 CG2 VAL A 88 1.988 -0.535 3.038 1.00 0.00 C ATOM 0 H VAL A 88 0.483 1.937 6.303 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.259 0.595 3.761 1.00 0.00 H new ATOM 0 HB VAL A 88 1.938 1.578 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.919 0.595 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.891 1.507 5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.856 -0.272 5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.997 -0.534 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.812 -1.473 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.265 -0.432 2.229 1.00 0.00 H new ATOM 1180 N LEU A 89 -0.978 -1.262 4.995 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.565 -2.430 5.690 1.00 0.00 C ATOM 1182 C LEU A 89 -1.187 -3.754 5.037 1.00 0.00 C ATOM 1183 O LEU A 89 -1.041 -3.861 3.814 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.092 -2.344 5.740 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.662 -1.247 6.649 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.559 0.143 6.007 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.137 -1.541 6.915 1.00 0.00 C ATOM 0 H LEU A 89 -1.420 -1.056 4.099 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.153 -2.402 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.463 -2.182 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.482 -3.306 6.072 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.081 -1.245 7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.974 0.889 6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.513 0.376 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.117 0.154 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.552 -0.767 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.681 -1.556 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.232 -2.510 7.404 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.110 -4.775 5.884 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.820 -6.150 5.488 1.00 0.00 C ATOM 1201 C PHE A 90 -1.944 -7.066 5.972 1.00 0.00 C ATOM 1202 O PHE A 90 -2.332 -7.113 7.142 1.00 0.00 O ATOM 1203 CB PHE A 90 0.513 -6.687 6.019 1.00 0.00 C ATOM 1204 CG PHE A 90 1.617 -5.636 6.067 1.00 0.00 C ATOM 1205 CD1 PHE A 90 2.120 -5.131 4.846 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.766 -4.907 7.266 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.719 -3.849 4.822 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.358 -3.627 7.248 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.825 -3.113 6.017 1.00 0.00 C ATOM 0 H PHE A 90 -1.251 -4.668 6.889 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.746 -6.141 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.361 -7.088 7.021 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.838 -7.516 5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.048 -5.717 3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.426 -5.330 8.200 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.091 -3.439 3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.453 -3.051 8.157 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.274 -2.131 5.993 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.435 -7.715 4.945 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.585 -8.631 4.919 1.00 0.00 C ATOM 1221 C PHE A 91 -3.123 -10.034 4.535 1.00 0.00 C ATOM 1222 O PHE A 91 -2.074 -10.242 3.928 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.568 -8.125 3.855 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.280 -6.837 4.238 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.681 -5.586 3.963 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.643 -6.926 4.593 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.470 -4.429 4.010 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.439 -5.757 4.634 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.837 -4.523 4.341 1.00 0.00 C ATOM 0 H PHE A 91 -2.016 -7.618 4.020 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.056 -8.666 5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.028 -7.967 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.313 -8.898 3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.631 -5.523 3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.078 -7.885 4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.031 -3.466 3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.488 -5.813 4.885 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.435 -3.624 4.370 1.00 0.00 H new ATOM 1239 N LYS A 92 -4.106 -10.905 4.680 1.00 0.00 N ATOM 1240 CA LYS A 92 -4.071 -12.315 4.289 1.00 0.00 C ATOM 1241 C LYS A 92 -5.528 -12.748 4.205 1.00 0.00 C ATOM 1242 O LYS A 92 -6.287 -12.536 5.150 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.305 -13.115 5.333 1.00 0.00 C ATOM 1244 CG LYS A 92 -3.080 -14.550 4.862 1.00 0.00 C ATOM 1245 CD LYS A 92 -2.468 -15.313 6.036 1.00 0.00 C ATOM 1246 CE LYS A 92 -1.688 -16.524 5.534 1.00 0.00 C ATOM 1247 NZ LYS A 92 -0.639 -15.982 4.657 1.00 0.00 N ATOM 0 H LYS A 92 -4.999 -10.640 5.095 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.565 -12.477 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.345 -12.638 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.858 -13.119 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.020 -15.007 4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.415 -14.573 3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.807 -14.655 6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.255 -15.636 6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.255 -17.083 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.337 -17.211 4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.821 -16.275 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.641 -14.944 4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.288 -16.344 4.960 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.921 -12.697 2.938 1.00 0.00 N ATOM 1262 CA ASN A 93 -7.281 -12.951 2.419 1.00 0.00 C ATOM 1263 C ASN A 93 -8.266 -11.885 2.970 1.00 0.00 C ATOM 1264 O ASN A 93 -9.275 -12.186 3.598 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.730 -14.382 2.723 1.00 0.00 C ATOM 1266 CG ASN A 93 -8.835 -14.836 1.771 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -8.600 -15.509 0.778 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -10.051 -14.399 2.022 1.00 0.00 N ATOM 0 H ASN A 93 -5.267 -12.464 2.191 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.272 -12.859 1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.878 -15.057 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.087 -14.442 3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.815 -14.621 1.383 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.230 -13.839 2.855 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.851 -10.630 2.778 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.565 -9.443 3.275 1.00 0.00 C ATOM 1277 C GLY A 94 -8.993 -9.478 4.752 1.00 0.00 C ATOM 1278 O GLY A 94 -10.036 -8.936 5.102 1.00 0.00 O ATOM 0 H GLY A 94 -6.998 -10.403 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.928 -8.571 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.455 -9.298 2.663 1.00 0.00 H new ATOM 1282 N GLU A 95 -8.129 -10.022 5.594 1.00 0.00 N ATOM 1283 CA GLU A 95 -8.395 -10.107 7.048 1.00 0.00 C ATOM 1284 C GLU A 95 -7.690 -9.031 7.887 1.00 0.00 C ATOM 1285 O GLU A 95 -8.247 -8.538 8.861 1.00 0.00 O ATOM 1286 CB GLU A 95 -8.080 -11.502 7.612 1.00 0.00 C ATOM 1287 CG GLU A 95 -9.060 -12.567 7.126 1.00 0.00 C ATOM 1288 CD GLU A 95 -10.512 -12.266 7.542 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -11.306 -11.940 6.645 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -10.797 -12.437 8.751 1.00 0.00 O ATOM 0 H GLU A 95 -7.232 -10.416 5.309 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.465 -9.918 7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.068 -11.786 7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.102 -11.463 8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.004 -12.639 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.765 -13.537 7.525 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.421 -8.808 7.542 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.528 -7.793 8.115 1.00 0.00 C ATOM 1300 C ARG A 96 -4.905 -8.165 9.466 1.00 0.00 C ATOM 1301 O ARG A 96 -5.534 -8.725 10.364 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.175 -6.386 8.169 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.147 -5.284 8.442 1.00 0.00 C ATOM 1304 CD ARG A 96 -5.757 -4.292 9.430 1.00 0.00 C ATOM 1305 NE ARG A 96 -4.722 -3.865 10.382 1.00 0.00 N ATOM 1306 CZ ARG A 96 -4.320 -4.524 11.471 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -4.918 -5.616 11.941 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -3.388 -3.988 12.240 1.00 0.00 N ATOM 0 H ARG A 96 -5.962 -9.359 6.817 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.697 -7.758 7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.679 -6.184 7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.938 -6.369 8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.231 -5.712 8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.877 -4.779 7.515 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.158 -3.429 8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.589 -4.754 9.961 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.264 -2.974 10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.735 -5.996 11.462 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.560 -6.073 12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.986 -3.082 11.998 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.071 -4.480 13.075 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.593 -8.023 9.420 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.665 -8.439 10.479 1.00 0.00 C ATOM 1324 C LYS A 97 -1.942 -7.252 11.129 1.00 0.00 C ATOM 1325 O LYS A 97 -1.831 -7.152 12.351 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.622 -9.394 9.876 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.177 -10.801 9.674 1.00 0.00 C ATOM 1328 CD LYS A 97 -3.117 -10.984 8.480 1.00 0.00 C ATOM 1329 CE LYS A 97 -4.065 -12.173 8.671 1.00 0.00 C ATOM 1330 NZ LYS A 97 -4.918 -11.964 9.846 1.00 0.00 N ATOM 0 H LYS A 97 -3.119 -7.602 8.621 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.249 -8.931 11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.281 -8.999 8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.752 -9.439 10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.339 -11.488 9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.709 -11.094 10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.701 -10.075 8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.528 -11.132 7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.684 -12.299 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.488 -13.090 8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.831 -12.441 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.451 -12.357 10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.078 -10.945 9.982 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.368 -6.433 10.254 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.508 -5.306 10.654 1.00 0.00 C ATOM 1346 C GLU A 98 -0.763 -4.054 9.810 1.00 0.00 C ATOM 1347 O GLU A 98 -1.095 -4.131 8.626 1.00 0.00 O ATOM 1348 CB GLU A 98 0.931 -5.817 10.535 1.00 0.00 C ATOM 1349 CG GLU A 98 1.807 -5.435 11.736 1.00 0.00 C ATOM 1350 CD GLU A 98 2.132 -3.940 11.750 1.00 0.00 C ATOM 1351 OE1 GLU A 98 2.803 -3.496 10.797 1.00 0.00 O ATOM 1352 OE2 GLU A 98 1.595 -3.248 12.639 1.00 0.00 O ATOM 0 H GLU A 98 -1.481 -6.525 9.245 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.722 -4.987 11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.918 -6.902 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.378 -5.417 9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.295 -5.704 12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.734 -6.008 11.707 1.00 0.00 H new ATOM 1360 N SER A 99 -0.647 -2.905 10.474 1.00 0.00 N ATOM 1361 CA SER A 99 -0.845 -1.573 9.870 1.00 0.00 C ATOM 1362 C SER A 99 0.207 -0.553 10.316 1.00 0.00 C ATOM 1363 O SER A 99 0.362 -0.253 11.500 1.00 0.00 O ATOM 1364 CB SER A 99 -2.251 -1.055 10.223 1.00 0.00 C ATOM 1365 OG SER A 99 -2.513 -1.209 11.622 1.00 0.00 O ATOM 0 H SER A 99 -0.409 -2.865 11.465 1.00 0.00 H new ATOM 0 HA SER A 99 -0.738 -1.689 8.791 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.337 -0.004 9.946 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.999 -1.599 9.646 1.00 0.00 H new ATOM 0 HG SER A 99 -1.717 -0.955 12.134 1.00 0.00 H new ATOM 1371 N ILE A 100 0.937 -0.053 9.325 1.00 0.00 N ATOM 1372 CA ILE A 100 1.954 0.991 9.494 1.00 0.00 C ATOM 1373 C ILE A 100 1.401 2.369 9.118 1.00 0.00 C ATOM 1374 O ILE A 100 1.027 2.659 7.981 1.00 0.00 O ATOM 1375 CB ILE A 100 3.242 0.629 8.720 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.869 -0.668 9.258 1.00 0.00 C ATOM 1377 CG2 ILE A 100 4.277 1.754 8.655 1.00 0.00 C ATOM 1378 CD1 ILE A 100 4.142 -0.688 10.770 1.00 0.00 C ATOM 0 H ILE A 100 0.840 -0.366 8.359 1.00 0.00 H new ATOM 0 HA ILE A 100 2.224 1.047 10.548 1.00 0.00 H new ATOM 0 HB ILE A 100 2.922 0.468 7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.208 -1.500 9.014 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.808 -0.843 8.734 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.148 1.415 8.094 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.841 2.621 8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.580 2.028 9.665 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.584 -1.645 11.047 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.831 0.117 11.026 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.206 -0.550 11.311 1.00 0.00 H new ATOM 1390 N ILE A 101 1.350 3.143 10.188 1.00 0.00 N ATOM 1391 CA ILE A 101 0.953 4.563 10.238 1.00 0.00 C ATOM 1392 C ILE A 101 2.227 5.392 9.954 1.00 0.00 C ATOM 1393 O ILE A 101 3.308 5.043 10.424 1.00 0.00 O ATOM 1394 CB ILE A 101 0.450 4.780 11.676 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -0.736 3.877 12.083 1.00 0.00 C ATOM 1396 CG2 ILE A 101 0.190 6.255 12.014 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -2.013 4.021 11.243 1.00 0.00 C ATOM 0 H ILE A 101 1.598 2.786 11.110 1.00 0.00 H new ATOM 0 HA ILE A 101 0.185 4.849 9.519 1.00 0.00 H new ATOM 0 HB ILE A 101 1.287 4.457 12.295 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.409 2.838 12.035 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.984 4.085 13.124 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.162 6.336 13.042 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.114 6.822 11.901 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.566 6.655 11.339 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.775 3.339 11.620 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.378 5.046 11.309 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.793 3.780 10.203 1.00 0.00 H new ATOM 1409 N GLY A 102 2.049 6.473 9.200 1.00 0.00 N ATOM 1410 CA GLY A 102 3.157 7.380 8.792 1.00 0.00 C ATOM 1411 C GLY A 102 4.216 6.624 7.977 1.00 0.00 C ATOM 1412 O GLY A 102 5.413 6.688 8.244 1.00 0.00 O ATOM 0 H GLY A 102 1.136 6.759 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.758 8.204 8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.618 7.817 9.677 1.00 0.00 H new ATOM 1416 N ALA A 103 3.729 5.983 6.923 1.00 0.00 N ATOM 1417 CA ALA A 103 4.519 5.095 6.043 1.00 0.00 C ATOM 1418 C ALA A 103 5.510 5.837 5.130 1.00 0.00 C ATOM 1419 O ALA A 103 5.141 6.400 4.101 1.00 0.00 O ATOM 1420 CB ALA A 103 3.562 4.225 5.235 1.00 0.00 C ATOM 0 H ALA A 103 2.752 6.060 6.639 1.00 0.00 H new ATOM 0 HA ALA A 103 5.146 4.474 6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.133 3.565 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.954 3.626 5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.914 4.861 4.632 1.00 0.00 H new ATOM 1426 N VAL A 104 6.715 6.000 5.666 1.00 0.00 N ATOM 1427 CA VAL A 104 7.850 6.599 4.925 1.00 0.00 C ATOM 1428 C VAL A 104 9.127 5.696 4.906 1.00 0.00 C ATOM 1429 O VAL A 104 9.584 5.392 3.800 1.00 0.00 O ATOM 1430 CB VAL A 104 8.144 8.062 5.346 1.00 0.00 C ATOM 1431 CG1 VAL A 104 9.297 8.695 4.557 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.907 8.967 5.164 1.00 0.00 C ATOM 0 H VAL A 104 6.945 5.726 6.621 1.00 0.00 H new ATOM 0 HA VAL A 104 7.522 6.651 3.887 1.00 0.00 H new ATOM 0 HB VAL A 104 8.423 7.997 6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.453 9.718 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.207 8.117 4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.051 8.700 3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.152 9.984 5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.606 8.965 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.088 8.591 5.777 1.00 0.00 H new ATOM 1442 N PRO A 105 9.697 5.249 6.040 1.00 0.00 N ATOM 1443 CA PRO A 105 10.956 4.474 6.044 1.00 0.00 C ATOM 1444 C PRO A 105 10.708 3.048 5.528 1.00 0.00 C ATOM 1445 O PRO A 105 10.003 2.253 6.137 1.00 0.00 O ATOM 1446 CB PRO A 105 11.433 4.417 7.490 1.00 0.00 C ATOM 1447 CG PRO A 105 10.505 5.361 8.258 1.00 0.00 C ATOM 1448 CD PRO A 105 9.221 5.368 7.427 1.00 0.00 C ATOM 0 HA PRO A 105 11.698 4.942 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.375 3.402 7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.473 4.733 7.574 1.00 0.00 H new ATOM 0 HG2 PRO A 105 10.323 5.005 9.272 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.932 6.360 8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.566 4.540 7.697 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.653 6.286 7.577 1.00 0.00 H new ATOM 1456 N LYS A 106 11.318 2.802 4.374 1.00 0.00 N ATOM 1457 CA LYS A 106 11.374 1.504 3.662 1.00 0.00 C ATOM 1458 C LYS A 106 11.478 0.286 4.607 1.00 0.00 C ATOM 1459 O LYS A 106 10.785 -0.723 4.456 1.00 0.00 O ATOM 1460 CB LYS A 106 12.630 1.583 2.770 1.00 0.00 C ATOM 1461 CG LYS A 106 12.851 0.396 1.841 1.00 0.00 C ATOM 1462 CD LYS A 106 11.837 0.390 0.699 1.00 0.00 C ATOM 1463 CE LYS A 106 12.201 -0.638 -0.356 1.00 0.00 C ATOM 1464 NZ LYS A 106 11.150 -0.659 -1.366 1.00 0.00 N ATOM 0 H LYS A 106 11.818 3.535 3.872 1.00 0.00 H new ATOM 0 HA LYS A 106 10.452 1.352 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.569 2.488 2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.504 1.687 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.861 0.434 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.770 -0.532 2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.844 0.174 1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.792 1.380 0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.159 -0.389 -0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.310 -1.623 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.256 -1.506 -1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.221 -0.677 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.223 0.191 -1.960 1.00 0.00 H new ATOM 1478 N SER A 107 12.336 0.444 5.616 1.00 0.00 N ATOM 1479 CA SER A 107 12.606 -0.546 6.663 1.00 0.00 C ATOM 1480 C SER A 107 11.405 -0.915 7.537 1.00 0.00 C ATOM 1481 O SER A 107 11.057 -2.093 7.610 1.00 0.00 O ATOM 1482 CB SER A 107 13.754 -0.002 7.518 1.00 0.00 C ATOM 1483 OG SER A 107 13.480 1.370 7.850 1.00 0.00 O ATOM 0 H SER A 107 12.883 1.297 5.732 1.00 0.00 H new ATOM 0 HA SER A 107 12.866 -1.483 6.170 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.861 -0.595 8.426 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.696 -0.077 6.975 1.00 0.00 H new ATOM 0 HG SER A 107 14.210 1.726 8.399 1.00 0.00 H new ATOM 1489 N THR A 108 10.696 0.073 8.085 1.00 0.00 N ATOM 1490 CA THR A 108 9.453 -0.112 8.870 1.00 0.00 C ATOM 1491 C THR A 108 8.414 -0.916 8.062 1.00 0.00 C ATOM 1492 O THR A 108 7.955 -1.975 8.491 1.00 0.00 O ATOM 1493 CB THR A 108 8.868 1.269 9.219 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.921 2.118 9.687 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.751 1.178 10.256 1.00 0.00 C ATOM 0 H THR A 108 10.969 1.052 7.999 1.00 0.00 H new ATOM 0 HA THR A 108 9.689 -0.663 9.780 1.00 0.00 H new ATOM 0 HB THR A 108 8.424 1.689 8.317 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.556 3.000 9.909 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.370 2.177 10.469 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.944 0.557 9.868 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.141 0.735 11.172 1.00 0.00 H new ATOM 1503 N LEU A 109 8.303 -0.492 6.814 1.00 0.00 N ATOM 1504 CA LEU A 109 7.473 -1.017 5.706 1.00 0.00 C ATOM 1505 C LEU A 109 7.847 -2.412 5.175 1.00 0.00 C ATOM 1506 O LEU A 109 7.274 -2.896 4.204 1.00 0.00 O ATOM 1507 CB LEU A 109 7.627 -0.039 4.537 1.00 0.00 C ATOM 1508 CG LEU A 109 6.694 1.164 4.681 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.008 2.141 5.817 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.732 1.976 3.382 1.00 0.00 C ATOM 0 H LEU A 109 8.845 0.315 6.504 1.00 0.00 H new ATOM 0 HA LEU A 109 6.464 -1.113 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.660 0.305 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.415 -0.555 3.600 1.00 0.00 H new ATOM 0 HG LEU A 109 5.724 0.724 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.277 2.949 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.965 1.616 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.006 2.555 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.070 2.837 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.750 2.318 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.403 1.351 2.552 1.00 0.00 H new ATOM 1522 N THR A 110 8.876 -2.958 5.793 1.00 0.00 N ATOM 1523 CA THR A 110 9.456 -4.283 5.510 1.00 0.00 C ATOM 1524 C THR A 110 9.377 -5.161 6.765 1.00 0.00 C ATOM 1525 O THR A 110 8.932 -6.316 6.752 1.00 0.00 O ATOM 1526 CB THR A 110 10.887 -4.137 4.994 1.00 0.00 C ATOM 1527 OG1 THR A 110 10.854 -3.403 3.777 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.513 -5.510 4.755 1.00 0.00 C ATOM 0 H THR A 110 9.365 -2.475 6.547 1.00 0.00 H new ATOM 0 HA THR A 110 8.882 -4.776 4.725 1.00 0.00 H new ATOM 0 HB THR A 110 11.491 -3.612 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.924 -2.445 3.971 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.532 -5.386 4.388 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.530 -6.070 5.690 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.925 -6.055 4.016 1.00 0.00 H new ATOM 1536 N ASP A 111 9.895 -4.560 7.827 1.00 0.00 N ATOM 1537 CA ASP A 111 9.906 -5.048 9.209 1.00 0.00 C ATOM 1538 C ASP A 111 8.530 -5.624 9.604 1.00 0.00 C ATOM 1539 O ASP A 111 8.411 -6.796 9.948 1.00 0.00 O ATOM 1540 CB ASP A 111 10.230 -3.795 10.034 1.00 0.00 C ATOM 1541 CG ASP A 111 10.723 -4.152 11.440 1.00 0.00 C ATOM 1542 OD1 ASP A 111 10.089 -3.662 12.398 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.753 -4.854 11.525 1.00 0.00 O ATOM 0 H ASP A 111 10.353 -3.652 7.745 1.00 0.00 H new ATOM 0 HA ASP A 111 10.622 -5.855 9.364 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.991 -3.208 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.341 -3.169 10.109 1.00 0.00 H new ATOM 1549 N SER A 112 7.511 -4.850 9.238 1.00 0.00 N ATOM 1550 CA SER A 112 6.084 -5.148 9.413 1.00 0.00 C ATOM 1551 C SER A 112 5.530 -6.412 8.756 1.00 0.00 C ATOM 1552 O SER A 112 4.414 -6.828 9.062 1.00 0.00 O ATOM 1553 CB SER A 112 5.325 -3.939 8.888 1.00 0.00 C ATOM 1554 OG SER A 112 5.738 -3.690 7.538 1.00 0.00 O ATOM 0 H SER A 112 7.663 -3.948 8.786 1.00 0.00 H new ATOM 0 HA SER A 112 5.953 -5.351 10.476 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.251 -4.120 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.524 -3.067 9.511 1.00 0.00 H new ATOM 0 HG SER A 112 4.951 -3.506 6.984 1.00 0.00 H new ATOM 1560 N ILE A 113 6.237 -6.888 7.730 1.00 0.00 N ATOM 1561 CA ILE A 113 5.884 -8.114 6.996 1.00 0.00 C ATOM 1562 C ILE A 113 6.717 -9.271 7.587 1.00 0.00 C ATOM 1563 O ILE A 113 6.165 -10.224 8.136 1.00 0.00 O ATOM 1564 CB ILE A 113 6.249 -8.049 5.497 1.00 0.00 C ATOM 1565 CG1 ILE A 113 5.520 -6.906 4.833 1.00 0.00 C ATOM 1566 CG2 ILE A 113 5.875 -9.308 4.722 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.221 -5.581 5.046 1.00 0.00 C ATOM 0 H ILE A 113 7.079 -6.433 7.378 1.00 0.00 H new ATOM 0 HA ILE A 113 4.806 -8.247 7.091 1.00 0.00 H new ATOM 0 HB ILE A 113 7.332 -7.925 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.436 -7.103 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.506 -6.846 5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.161 -9.190 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.397 -10.165 5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.799 -9.470 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.660 -4.789 4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.282 -5.369 6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.226 -5.630 4.628 1.00 0.00 H new ATOM 1579 N GLU A 114 8.028 -9.030 7.560 1.00 0.00 N ATOM 1580 CA GLU A 114 9.082 -9.954 8.002 1.00 0.00 C ATOM 1581 C GLU A 114 8.963 -10.449 9.448 1.00 0.00 C ATOM 1582 O GLU A 114 9.592 -11.417 9.873 1.00 0.00 O ATOM 1583 CB GLU A 114 10.482 -9.378 7.741 1.00 0.00 C ATOM 1584 CG GLU A 114 10.710 -9.261 6.232 1.00 0.00 C ATOM 1585 CD GLU A 114 12.178 -9.043 5.894 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.759 -9.996 5.325 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.687 -7.947 6.208 1.00 0.00 O ATOM 0 H GLU A 114 8.405 -8.147 7.215 1.00 0.00 H new ATOM 0 HA GLU A 114 8.930 -10.841 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.578 -8.399 8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.241 -10.022 8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.355 -10.167 5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.120 -8.433 5.839 1.00 0.00 H new ATOM 1595 N LYS A 115 8.157 -9.703 10.187 1.00 0.00 N ATOM 1596 CA LYS A 115 7.634 -10.001 11.526 1.00 0.00 C ATOM 1597 C LYS A 115 6.927 -11.376 11.594 1.00 0.00 C ATOM 1598 O LYS A 115 6.891 -12.011 12.638 1.00 0.00 O ATOM 1599 CB LYS A 115 6.623 -8.873 11.693 1.00 0.00 C ATOM 1600 CG LYS A 115 5.986 -8.802 13.085 1.00 0.00 C ATOM 1601 CD LYS A 115 4.897 -7.726 13.061 1.00 0.00 C ATOM 1602 CE LYS A 115 5.477 -6.313 12.958 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.574 -5.761 14.311 1.00 0.00 N ATOM 0 H LYS A 115 7.821 -8.802 9.847 1.00 0.00 H new ATOM 0 HA LYS A 115 8.407 -10.056 12.293 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.116 -7.924 11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.834 -8.994 10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.560 -9.768 13.357 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.739 -8.563 13.836 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.231 -7.905 12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.293 -7.803 13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.459 -6.338 12.486 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.840 -5.685 12.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.967 -4.799 14.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.628 -5.729 14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.197 -6.362 14.887 1.00 0.00 H new ATOM 1617 N TYR A 116 6.209 -11.689 10.510 1.00 0.00 N ATOM 1618 CA TYR A 116 5.439 -12.941 10.353 1.00 0.00 C ATOM 1619 C TYR A 116 5.680 -13.698 9.031 1.00 0.00 C ATOM 1620 O TYR A 116 5.923 -14.905 9.025 1.00 0.00 O ATOM 1621 CB TYR A 116 3.932 -12.686 10.559 1.00 0.00 C ATOM 1622 CG TYR A 116 3.349 -11.513 9.744 1.00 0.00 C ATOM 1623 CD1 TYR A 116 3.380 -10.231 10.345 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.734 -11.746 8.502 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.853 -9.152 9.637 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.229 -10.651 7.779 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.344 -9.362 8.340 1.00 0.00 C ATOM 1628 OH TYR A 116 2.429 -8.317 7.496 1.00 0.00 O ATOM 0 H TYR A 116 6.141 -11.073 9.700 1.00 0.00 H new ATOM 0 HA TYR A 116 5.818 -13.600 11.134 1.00 0.00 H new ATOM 0 HB2 TYR A 116 3.387 -13.594 10.300 1.00 0.00 H new ATOM 0 HB3 TYR A 116 3.753 -12.497 11.617 1.00 0.00 H new ATOM 0 HD1 TYR A 116 3.802 -10.092 11.329 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.651 -12.749 8.110 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.835 -8.166 10.078 1.00 0.00 H new ATOM 0 HE2 TYR A 116 1.763 -10.794 6.815 1.00 0.00 H new ATOM 0 HH TYR A 116 2.961 -7.605 7.909 1.00 0.00 H new ATOM 1638 N LEU A 117 5.680 -12.948 7.931 1.00 0.00 N ATOM 1639 CA LEU A 117 5.806 -13.465 6.562 1.00 0.00 C ATOM 1640 C LEU A 117 7.158 -12.997 6.010 1.00 0.00 C ATOM 1641 O LEU A 117 7.385 -11.857 5.627 1.00 0.00 O ATOM 1642 CB LEU A 117 4.613 -12.881 5.810 1.00 0.00 C ATOM 1643 CG LEU A 117 4.547 -13.146 4.315 1.00 0.00 C ATOM 1644 CD1 LEU A 117 4.285 -14.618 3.983 1.00 0.00 C ATOM 1645 CD2 LEU A 117 3.414 -12.294 3.756 1.00 0.00 C ATOM 0 H LEU A 117 5.590 -11.933 7.964 1.00 0.00 H new ATOM 0 HA LEU A 117 5.791 -14.552 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.702 -13.270 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.610 -11.802 5.964 1.00 0.00 H new ATOM 0 HG LEU A 117 5.511 -12.894 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.248 -14.746 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.086 -15.232 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.334 -14.925 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.333 -12.456 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.477 -12.574 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.621 -11.241 3.950 1.00 0.00 H new