USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 504 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 15 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.18) USER MOD Set 1.2: A 33 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0633) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -8:sc= 0.273 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -107:sc= -1.5 (180deg=-4.67!) USER MOD Single : A 19 ASN : amide:sc= -1.73! C(o=-1.7!,f=-1.5!) USER MOD Single : A 20 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.027) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -108:sc= -0.563 (180deg=-0.895) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 29 HIS : no HD1:sc= -2.42 K(o=-2.4,f=-5.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 134:sc= 1.29 USER MOD Single : A 58 LYS NZ :NH3+ -144:sc= 0.0723 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.729 X(o=-0.73,f=-0.26) USER MOD Single : A 64 HIS : no HD1:sc= -0.227 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.849 0.983 -18.455 1.00 0.00 N ATOM 2 CA GLY A 1 -17.180 0.750 -19.848 1.00 0.00 C ATOM 3 C GLY A 1 -15.954 0.720 -20.739 1.00 0.00 C ATOM 4 O GLY A 1 -15.625 -0.315 -21.319 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.721 0.994 -17.888 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.225 0.224 -18.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.364 1.898 -18.362 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.714 -0.196 -19.938 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.857 1.532 -20.193 1.00 0.00 H new ATOM 8 N SER A 2 -15.276 1.858 -20.849 1.00 0.00 N ATOM 9 CA SER A 2 -14.082 1.959 -21.680 1.00 0.00 C ATOM 10 C SER A 2 -12.852 2.260 -20.829 1.00 0.00 C ATOM 11 O SER A 2 -11.880 1.504 -20.834 1.00 0.00 O ATOM 12 CB SER A 2 -14.263 3.049 -22.738 1.00 0.00 C ATOM 13 OG SER A 2 -13.122 3.143 -23.573 1.00 0.00 O ATOM 0 H SER A 2 -15.533 2.723 -20.373 1.00 0.00 H new ATOM 0 HA SER A 2 -13.933 1.001 -22.177 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.143 2.831 -23.343 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.441 4.008 -22.251 1.00 0.00 H new ATOM 0 HG SER A 2 -13.263 3.845 -24.242 1.00 0.00 H new ATOM 19 N SER A 3 -12.902 3.369 -20.098 1.00 0.00 N ATOM 20 CA SER A 3 -11.792 3.774 -19.245 1.00 0.00 C ATOM 21 C SER A 3 -11.158 2.562 -18.567 1.00 0.00 C ATOM 22 O SER A 3 -9.937 2.422 -18.537 1.00 0.00 O ATOM 23 CB SER A 3 -12.269 4.771 -18.188 1.00 0.00 C ATOM 24 OG SER A 3 -11.177 5.462 -17.607 1.00 0.00 O ATOM 0 H SER A 3 -13.701 4.003 -20.080 1.00 0.00 H new ATOM 0 HA SER A 3 -11.041 4.253 -19.873 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.955 5.486 -18.642 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.824 4.245 -17.412 1.00 0.00 H new ATOM 0 HG SER A 3 -11.510 6.094 -16.936 1.00 0.00 H new ATOM 30 N GLY A 4 -12.001 1.688 -18.024 1.00 0.00 N ATOM 31 CA GLY A 4 -11.506 0.500 -17.354 1.00 0.00 C ATOM 32 C GLY A 4 -12.080 0.339 -15.960 1.00 0.00 C ATOM 33 O GLY A 4 -13.131 -0.275 -15.781 1.00 0.00 O ATOM 0 H GLY A 4 -13.017 1.782 -18.036 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.754 -0.379 -17.949 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.419 0.548 -17.293 1.00 0.00 H new ATOM 37 N SER A 5 -11.387 0.892 -14.969 1.00 0.00 N ATOM 38 CA SER A 5 -11.830 0.802 -13.583 1.00 0.00 C ATOM 39 C SER A 5 -12.413 -0.577 -13.287 1.00 0.00 C ATOM 40 O SER A 5 -13.421 -0.701 -12.592 1.00 0.00 O ATOM 41 CB SER A 5 -12.873 1.882 -13.288 1.00 0.00 C ATOM 42 OG SER A 5 -14.065 1.653 -14.019 1.00 0.00 O ATOM 0 H SER A 5 -10.516 1.407 -15.101 1.00 0.00 H new ATOM 0 HA SER A 5 -10.964 0.957 -12.940 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.094 1.896 -12.221 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.469 2.862 -13.543 1.00 0.00 H new ATOM 0 HG SER A 5 -13.924 0.919 -14.653 1.00 0.00 H new ATOM 48 N SER A 6 -11.770 -1.610 -13.820 1.00 0.00 N ATOM 49 CA SER A 6 -12.225 -2.981 -13.617 1.00 0.00 C ATOM 50 C SER A 6 -11.581 -3.589 -12.374 1.00 0.00 C ATOM 51 O SER A 6 -11.248 -4.773 -12.350 1.00 0.00 O ATOM 52 CB SER A 6 -11.899 -3.836 -14.843 1.00 0.00 C ATOM 53 OG SER A 6 -12.854 -3.637 -15.871 1.00 0.00 O ATOM 0 H SER A 6 -10.932 -1.524 -14.396 1.00 0.00 H new ATOM 0 HA SER A 6 -13.305 -2.961 -13.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.905 -3.584 -15.212 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.877 -4.889 -14.561 1.00 0.00 H new ATOM 0 HG SER A 6 -12.623 -4.193 -16.644 1.00 0.00 H new ATOM 59 N GLY A 7 -11.408 -2.767 -11.343 1.00 0.00 N ATOM 60 CA GLY A 7 -10.805 -3.240 -10.111 1.00 0.00 C ATOM 61 C GLY A 7 -9.292 -3.294 -10.189 1.00 0.00 C ATOM 62 O GLY A 7 -8.695 -2.808 -11.150 1.00 0.00 O ATOM 0 H GLY A 7 -11.675 -1.782 -11.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.100 -2.585 -9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.189 -4.233 -9.880 1.00 0.00 H new ATOM 66 N LYS A 8 -8.669 -3.885 -9.175 1.00 0.00 N ATOM 67 CA LYS A 8 -7.217 -4.000 -9.131 1.00 0.00 C ATOM 68 C LYS A 8 -6.772 -5.412 -9.501 1.00 0.00 C ATOM 69 O LYS A 8 -7.499 -6.387 -9.313 1.00 0.00 O ATOM 70 CB LYS A 8 -6.697 -3.639 -7.738 1.00 0.00 C ATOM 71 CG LYS A 8 -6.489 -2.149 -7.534 1.00 0.00 C ATOM 72 CD LYS A 8 -5.166 -1.685 -8.118 1.00 0.00 C ATOM 73 CE LYS A 8 -4.943 -0.199 -7.884 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.651 0.266 -8.461 1.00 0.00 N ATOM 0 H LYS A 8 -9.148 -4.292 -8.372 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.801 -3.303 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.401 -4.005 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.753 -4.156 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.306 -1.599 -8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.518 -1.919 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.350 -2.251 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.147 -1.893 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.763 0.366 -8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.957 0.006 -6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.536 1.284 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.866 -0.254 -8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.647 0.094 -9.487 1.00 0.00 H new ATOM 88 N PRO A 9 -5.548 -5.526 -10.039 1.00 0.00 N ATOM 89 CA PRO A 9 -4.979 -6.814 -10.445 1.00 0.00 C ATOM 90 C PRO A 9 -4.643 -7.701 -9.251 1.00 0.00 C ATOM 91 O PRO A 9 -4.692 -7.257 -8.104 1.00 0.00 O ATOM 92 CB PRO A 9 -3.703 -6.418 -11.192 1.00 0.00 C ATOM 93 CG PRO A 9 -3.331 -5.090 -10.630 1.00 0.00 C ATOM 94 CD PRO A 9 -4.627 -4.405 -10.293 1.00 0.00 C ATOM 0 HA PRO A 9 -5.677 -7.397 -11.045 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.910 -7.150 -11.037 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.876 -6.359 -12.267 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.707 -5.202 -9.743 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.758 -4.508 -11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.526 -3.762 -9.419 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.975 -3.777 -11.113 1.00 0.00 H new ATOM 102 N GLU A 10 -4.301 -8.955 -9.528 1.00 0.00 N ATOM 103 CA GLU A 10 -3.958 -9.904 -8.475 1.00 0.00 C ATOM 104 C GLU A 10 -2.444 -10.057 -8.354 1.00 0.00 C ATOM 105 O GLU A 10 -1.900 -10.091 -7.250 1.00 0.00 O ATOM 106 CB GLU A 10 -4.599 -11.265 -8.755 1.00 0.00 C ATOM 107 CG GLU A 10 -4.485 -11.704 -10.205 1.00 0.00 C ATOM 108 CD GLU A 10 -5.111 -13.063 -10.454 1.00 0.00 C ATOM 109 OE1 GLU A 10 -4.607 -14.059 -9.894 1.00 0.00 O ATOM 110 OE2 GLU A 10 -6.105 -13.130 -11.207 1.00 0.00 O ATOM 0 H GLU A 10 -4.254 -9.338 -10.472 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.344 -9.517 -7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.130 -12.016 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.652 -11.225 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.967 -10.964 -10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.433 -11.735 -10.490 1.00 0.00 H new ATOM 117 N TRP A 11 -1.772 -10.150 -9.495 1.00 0.00 N ATOM 118 CA TRP A 11 -0.321 -10.301 -9.518 1.00 0.00 C ATOM 119 C TRP A 11 0.349 -9.240 -8.652 1.00 0.00 C ATOM 120 O TRP A 11 1.437 -9.458 -8.119 1.00 0.00 O ATOM 121 CB TRP A 11 0.199 -10.210 -10.953 1.00 0.00 C ATOM 122 CG TRP A 11 -0.196 -8.944 -11.650 1.00 0.00 C ATOM 123 CD1 TRP A 11 -1.383 -8.689 -12.275 1.00 0.00 C ATOM 124 CD2 TRP A 11 0.597 -7.761 -11.793 1.00 0.00 C ATOM 125 NE1 TRP A 11 -1.376 -7.418 -12.799 1.00 0.00 N ATOM 126 CE2 TRP A 11 -0.172 -6.828 -12.516 1.00 0.00 C ATOM 127 CE3 TRP A 11 1.882 -7.397 -11.379 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.303 -5.558 -12.833 1.00 0.00 C ATOM 129 CZ3 TRP A 11 2.352 -6.137 -11.696 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.564 -5.229 -12.416 1.00 0.00 C ATOM 0 H TRP A 11 -2.208 -10.124 -10.417 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.075 -11.283 -9.113 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.286 -10.286 -10.943 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.175 -11.061 -11.522 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.207 -9.384 -12.347 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.142 -6.985 -13.314 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.496 -8.088 -10.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.303 -4.857 -13.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.344 -5.847 -11.383 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.960 -4.251 -12.646 1.00 0.00 H new ATOM 141 N MET A 12 -0.306 -8.091 -8.517 1.00 0.00 N ATOM 142 CA MET A 12 0.228 -6.997 -7.715 1.00 0.00 C ATOM 143 C MET A 12 0.195 -7.346 -6.230 1.00 0.00 C ATOM 144 O MET A 12 -0.854 -7.689 -5.687 1.00 0.00 O ATOM 145 CB MET A 12 -0.568 -5.715 -7.968 1.00 0.00 C ATOM 146 CG MET A 12 -0.027 -4.881 -9.118 1.00 0.00 C ATOM 147 SD MET A 12 1.675 -4.348 -8.849 1.00 0.00 S ATOM 148 CE MET A 12 1.614 -2.681 -9.500 1.00 0.00 C ATOM 0 H MET A 12 -1.207 -7.894 -8.953 1.00 0.00 H new ATOM 0 HA MET A 12 1.265 -6.836 -8.009 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.606 -5.976 -8.176 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.567 -5.111 -7.060 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.081 -5.461 -10.039 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.661 -4.005 -9.256 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.596 -2.217 -9.404 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.328 -2.711 -10.551 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.881 -2.099 -8.941 1.00 0.00 H new ATOM 158 N MET A 13 1.351 -7.255 -5.580 1.00 0.00 N ATOM 159 CA MET A 13 1.452 -7.560 -4.157 1.00 0.00 C ATOM 160 C MET A 13 2.004 -6.366 -3.383 1.00 0.00 C ATOM 161 O MET A 13 2.430 -5.374 -3.976 1.00 0.00 O ATOM 162 CB MET A 13 2.347 -8.781 -3.938 1.00 0.00 C ATOM 163 CG MET A 13 2.080 -9.913 -4.918 1.00 0.00 C ATOM 164 SD MET A 13 3.550 -10.903 -5.252 1.00 0.00 S ATOM 165 CE MET A 13 4.565 -9.716 -6.129 1.00 0.00 C ATOM 0 H MET A 13 2.229 -6.973 -6.015 1.00 0.00 H new ATOM 0 HA MET A 13 0.451 -7.780 -3.786 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.390 -8.477 -4.022 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.204 -9.149 -2.922 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.296 -10.557 -4.519 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.706 -9.498 -5.854 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.596 -9.975 -7.187 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.142 -8.718 -6.012 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.576 -9.731 -5.722 1.00 0.00 H new ATOM 175 N ILE A 14 1.992 -6.469 -2.059 1.00 0.00 N ATOM 176 CA ILE A 14 2.491 -5.398 -1.205 1.00 0.00 C ATOM 177 C ILE A 14 3.628 -5.890 -0.315 1.00 0.00 C ATOM 178 O ILE A 14 3.395 -6.526 0.713 1.00 0.00 O ATOM 179 CB ILE A 14 1.374 -4.818 -0.318 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.239 -4.268 -1.185 1.00 0.00 C ATOM 181 CG2 ILE A 14 1.930 -3.730 0.589 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.750 -3.418 -0.418 1.00 0.00 C ATOM 0 H ILE A 14 1.642 -7.283 -1.554 1.00 0.00 H new ATOM 0 HA ILE A 14 2.862 -4.614 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 14 0.974 -5.616 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.665 -3.674 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.291 -5.101 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.129 -3.329 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.708 -4.150 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.352 -2.930 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.526 -3.062 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.204 -4.014 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.233 -2.565 0.021 1.00 0.00 H new ATOM 194 N HIS A 15 4.859 -5.588 -0.716 1.00 0.00 N ATOM 195 CA HIS A 15 6.033 -5.997 0.047 1.00 0.00 C ATOM 196 C HIS A 15 5.898 -5.591 1.511 1.00 0.00 C ATOM 197 O HIS A 15 5.881 -6.440 2.402 1.00 0.00 O ATOM 198 CB HIS A 15 7.297 -5.379 -0.552 1.00 0.00 C ATOM 199 CG HIS A 15 8.558 -6.068 -0.130 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.591 -6.346 -1.001 1.00 0.00 N ATOM 201 CD2 HIS A 15 8.950 -6.535 1.078 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.563 -6.955 -0.346 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.200 -7.082 0.917 1.00 0.00 N ATOM 0 H HIS A 15 5.069 -5.062 -1.564 1.00 0.00 H new ATOM 0 HA HIS A 15 6.109 -7.083 -0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.224 -5.406 -1.639 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.351 -4.330 -0.262 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.385 -6.487 1.997 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.497 -7.292 -0.772 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.757 -7.516 1.653 1.00 0.00 H new ATOM 212 N ARG A 16 5.804 -4.287 1.752 1.00 0.00 N ATOM 213 CA ARG A 16 5.672 -3.768 3.108 1.00 0.00 C ATOM 214 C ARG A 16 5.459 -2.258 3.094 1.00 0.00 C ATOM 215 O ARG A 16 6.000 -1.553 2.242 1.00 0.00 O ATOM 216 CB ARG A 16 6.916 -4.111 3.930 1.00 0.00 C ATOM 217 CG ARG A 16 8.175 -3.407 3.453 1.00 0.00 C ATOM 218 CD ARG A 16 9.280 -3.472 4.496 1.00 0.00 C ATOM 219 NE ARG A 16 10.121 -4.654 4.329 1.00 0.00 N ATOM 220 CZ ARG A 16 11.071 -4.757 3.407 1.00 0.00 C ATOM 221 NH1 ARG A 16 11.301 -3.752 2.572 1.00 0.00 N ATOM 222 NH2 ARG A 16 11.795 -5.865 3.318 1.00 0.00 N ATOM 0 H ARG A 16 5.817 -3.571 1.026 1.00 0.00 H new ATOM 0 HA ARG A 16 4.801 -4.236 3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.736 -3.848 4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.078 -5.188 3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.521 -3.866 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.947 -2.365 3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.897 -2.576 4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.838 -3.479 5.492 1.00 0.00 H new ATOM 0 HE ARG A 16 9.970 -5.445 4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.748 -2.898 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.031 -3.834 1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.622 -6.640 3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.524 -5.942 2.609 1.00 0.00 H new ATOM 236 N ILE A 17 4.667 -1.768 4.042 1.00 0.00 N ATOM 237 CA ILE A 17 4.383 -0.342 4.139 1.00 0.00 C ATOM 238 C ILE A 17 5.642 0.447 4.484 1.00 0.00 C ATOM 239 O ILE A 17 6.085 0.460 5.633 1.00 0.00 O ATOM 240 CB ILE A 17 3.304 -0.053 5.198 1.00 0.00 C ATOM 241 CG1 ILE A 17 1.948 -0.592 4.736 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.219 1.440 5.475 1.00 0.00 C ATOM 243 CD1 ILE A 17 0.915 -0.653 5.839 1.00 0.00 C ATOM 0 H ILE A 17 4.211 -2.338 4.754 1.00 0.00 H new ATOM 0 HA ILE A 17 4.015 -0.027 3.163 1.00 0.00 H new ATOM 0 HB ILE A 17 3.580 -0.559 6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.571 0.038 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.085 -1.591 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.451 1.628 6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.181 1.797 5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.963 1.967 4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.021 -1.044 5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.271 -1.306 6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.749 0.348 6.238 1.00 0.00 H new ATOM 255 N LEU A 18 6.214 1.106 3.482 1.00 0.00 N ATOM 256 CA LEU A 18 7.421 1.900 3.679 1.00 0.00 C ATOM 257 C LEU A 18 7.172 3.034 4.669 1.00 0.00 C ATOM 258 O LEU A 18 7.968 3.263 5.578 1.00 0.00 O ATOM 259 CB LEU A 18 7.904 2.471 2.344 1.00 0.00 C ATOM 260 CG LEU A 18 8.086 1.461 1.210 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.691 2.135 -0.012 1.00 0.00 C ATOM 262 CD2 LEU A 18 8.956 0.299 1.665 1.00 0.00 C ATOM 0 H LEU A 18 5.861 1.106 2.525 1.00 0.00 H new ATOM 0 HA LEU A 18 8.192 1.247 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.193 3.230 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.855 2.976 2.510 1.00 0.00 H new ATOM 0 HG LEU A 18 7.106 1.070 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.813 1.401 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.031 2.933 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.663 2.554 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.075 -0.410 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.935 0.673 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.483 -0.200 2.511 1.00 0.00 H new ATOM 274 N ASN A 19 6.060 3.739 4.486 1.00 0.00 N ATOM 275 CA ASN A 19 5.705 4.848 5.364 1.00 0.00 C ATOM 276 C ASN A 19 4.279 5.319 5.094 1.00 0.00 C ATOM 277 O ASN A 19 3.567 4.742 4.272 1.00 0.00 O ATOM 278 CB ASN A 19 6.683 6.009 5.174 1.00 0.00 C ATOM 279 CG ASN A 19 6.726 6.931 6.378 1.00 0.00 C ATOM 280 OD1 ASN A 19 7.111 6.522 7.473 1.00 0.00 O ATOM 281 ND2 ASN A 19 6.329 8.182 6.179 1.00 0.00 N ATOM 0 H ASN A 19 5.390 3.562 3.738 1.00 0.00 H new ATOM 0 HA ASN A 19 5.764 4.498 6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.681 5.613 4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.397 6.581 4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.335 8.848 6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.018 8.477 5.254 1.00 0.00 H new ATOM 288 N HIS A 20 3.868 6.374 5.792 1.00 0.00 N ATOM 289 CA HIS A 20 2.528 6.925 5.628 1.00 0.00 C ATOM 290 C HIS A 20 2.565 8.450 5.616 1.00 0.00 C ATOM 291 O HIS A 20 3.401 9.065 6.278 1.00 0.00 O ATOM 292 CB HIS A 20 1.611 6.434 6.749 1.00 0.00 C ATOM 293 CG HIS A 20 1.647 7.296 7.973 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.607 7.170 8.954 1.00 0.00 N ATOM 295 CD2 HIS A 20 0.834 8.303 8.370 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.382 8.061 9.904 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.312 8.762 9.573 1.00 0.00 N ATOM 0 H HIS A 20 4.444 6.864 6.476 1.00 0.00 H new ATOM 0 HA HIS A 20 2.135 6.581 4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.588 6.389 6.376 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.896 5.418 7.022 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.030 8.676 7.840 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.972 8.194 10.799 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.907 9.521 10.122 1.00 0.00 H new ATOM 306 N SER A 21 1.655 9.053 4.858 1.00 0.00 N ATOM 307 CA SER A 21 1.587 10.506 4.756 1.00 0.00 C ATOM 308 C SER A 21 0.148 10.970 4.552 1.00 0.00 C ATOM 309 O SER A 21 -0.628 10.329 3.843 1.00 0.00 O ATOM 310 CB SER A 21 2.462 10.999 3.602 1.00 0.00 C ATOM 311 OG SER A 21 2.039 12.274 3.150 1.00 0.00 O ATOM 0 H SER A 21 0.955 8.558 4.306 1.00 0.00 H new ATOM 0 HA SER A 21 1.958 10.928 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.501 11.051 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.420 10.286 2.779 1.00 0.00 H new ATOM 0 HG SER A 21 2.615 12.568 2.413 1.00 0.00 H new ATOM 317 N VAL A 22 -0.202 12.088 5.180 1.00 0.00 N ATOM 318 CA VAL A 22 -1.547 12.639 5.068 1.00 0.00 C ATOM 319 C VAL A 22 -1.541 13.947 4.284 1.00 0.00 C ATOM 320 O VAL A 22 -1.114 14.984 4.790 1.00 0.00 O ATOM 321 CB VAL A 22 -2.170 12.888 6.455 1.00 0.00 C ATOM 322 CG1 VAL A 22 -3.648 13.223 6.324 1.00 0.00 C ATOM 323 CG2 VAL A 22 -1.966 11.678 7.354 1.00 0.00 C ATOM 0 H VAL A 22 0.428 12.630 5.772 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.148 11.901 4.536 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.669 13.741 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.071 13.396 7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.765 14.121 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.168 12.393 5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.412 11.870 8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.440 10.806 6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.899 11.489 7.474 1.00 0.00 H new ATOM 333 N ASP A 23 -2.019 13.889 3.045 1.00 0.00 N ATOM 334 CA ASP A 23 -2.071 15.070 2.191 1.00 0.00 C ATOM 335 C ASP A 23 -2.694 16.249 2.930 1.00 0.00 C ATOM 336 O ASP A 23 -3.107 16.125 4.084 1.00 0.00 O ATOM 337 CB ASP A 23 -2.867 14.771 0.919 1.00 0.00 C ATOM 338 CG ASP A 23 -4.108 13.945 1.194 1.00 0.00 C ATOM 339 OD1 ASP A 23 -4.633 14.021 2.325 1.00 0.00 O ATOM 340 OD2 ASP A 23 -4.554 13.220 0.280 1.00 0.00 O ATOM 0 H ASP A 23 -2.375 13.038 2.611 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.050 15.335 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.156 15.709 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.230 14.240 0.212 1.00 0.00 H new ATOM 345 N LYS A 24 -2.758 17.395 2.260 1.00 0.00 N ATOM 346 CA LYS A 24 -3.331 18.598 2.852 1.00 0.00 C ATOM 347 C LYS A 24 -4.837 18.445 3.045 1.00 0.00 C ATOM 348 O LYS A 24 -5.416 19.018 3.968 1.00 0.00 O ATOM 349 CB LYS A 24 -3.040 19.814 1.970 1.00 0.00 C ATOM 350 CG LYS A 24 -1.746 20.526 2.324 1.00 0.00 C ATOM 351 CD LYS A 24 -1.978 21.634 3.337 1.00 0.00 C ATOM 352 CE LYS A 24 -2.276 21.071 4.719 1.00 0.00 C ATOM 353 NZ LYS A 24 -1.191 20.170 5.197 1.00 0.00 N ATOM 0 H LYS A 24 -2.420 17.516 1.305 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.870 18.747 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.996 19.495 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.867 20.519 2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.033 19.807 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.301 20.945 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.097 22.274 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.809 22.259 3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.404 21.891 5.425 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.218 20.523 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.523 19.185 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.360 20.269 4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.930 20.427 6.171 1.00 0.00 H new ATOM 367 N LYS A 25 -5.465 17.669 2.168 1.00 0.00 N ATOM 368 CA LYS A 25 -6.903 17.438 2.243 1.00 0.00 C ATOM 369 C LYS A 25 -7.275 16.736 3.545 1.00 0.00 C ATOM 370 O LYS A 25 -8.267 17.080 4.185 1.00 0.00 O ATOM 371 CB LYS A 25 -7.369 16.602 1.049 1.00 0.00 C ATOM 372 CG LYS A 25 -7.675 17.427 -0.189 1.00 0.00 C ATOM 373 CD LYS A 25 -6.404 17.923 -0.857 1.00 0.00 C ATOM 374 CE LYS A 25 -6.700 18.999 -1.890 1.00 0.00 C ATOM 375 NZ LYS A 25 -5.684 19.019 -2.978 1.00 0.00 N ATOM 0 H LYS A 25 -5.001 17.189 1.397 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.403 18.406 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.599 15.870 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.261 16.044 1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.248 16.826 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.299 18.278 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.726 18.319 -0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.894 17.087 -1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.688 18.829 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.728 19.973 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.922 19.766 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.745 19.207 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.675 18.098 -3.461 1.00 0.00 H new ATOM 389 N GLY A 26 -6.469 15.751 3.932 1.00 0.00 N ATOM 390 CA GLY A 26 -6.730 15.017 5.156 1.00 0.00 C ATOM 391 C GLY A 26 -6.774 13.518 4.936 1.00 0.00 C ATOM 392 O GLY A 26 -6.983 12.751 5.876 1.00 0.00 O ATOM 0 H GLY A 26 -5.640 15.449 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.957 15.251 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.679 15.347 5.578 1.00 0.00 H new ATOM 396 N HIS A 27 -6.577 13.099 3.690 1.00 0.00 N ATOM 397 CA HIS A 27 -6.595 11.681 3.349 1.00 0.00 C ATOM 398 C HIS A 27 -5.282 11.010 3.741 1.00 0.00 C ATOM 399 O HIS A 27 -4.205 11.575 3.555 1.00 0.00 O ATOM 400 CB HIS A 27 -6.847 11.498 1.852 1.00 0.00 C ATOM 401 CG HIS A 27 -8.298 11.533 1.480 1.00 0.00 C ATOM 402 ND1 HIS A 27 -8.950 10.470 0.893 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.223 12.511 1.616 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.214 10.793 0.683 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.405 12.026 1.113 1.00 0.00 N ATOM 0 H HIS A 27 -6.403 13.721 2.900 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.404 11.209 3.907 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.321 12.281 1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.422 10.546 1.534 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.062 13.491 2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.963 10.156 0.236 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.288 12.536 1.077 1.00 0.00 H new ATOM 414 N VAL A 28 -5.380 9.802 4.287 1.00 0.00 N ATOM 415 CA VAL A 28 -4.201 9.054 4.706 1.00 0.00 C ATOM 416 C VAL A 28 -3.671 8.184 3.572 1.00 0.00 C ATOM 417 O VAL A 28 -4.402 7.372 3.004 1.00 0.00 O ATOM 418 CB VAL A 28 -4.505 8.162 5.924 1.00 0.00 C ATOM 419 CG1 VAL A 28 -3.353 7.204 6.185 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.788 9.015 7.151 1.00 0.00 C ATOM 0 H VAL A 28 -6.264 9.320 4.449 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.443 9.787 4.983 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.395 7.571 5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.586 6.582 7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.202 6.570 5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.444 7.773 6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.001 8.368 8.002 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.918 9.633 7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.648 9.656 6.958 1.00 0.00 H new ATOM 430 N HIS A 29 -2.394 8.358 3.247 1.00 0.00 N ATOM 431 CA HIS A 29 -1.764 7.588 2.180 1.00 0.00 C ATOM 432 C HIS A 29 -0.661 6.692 2.736 1.00 0.00 C ATOM 433 O HIS A 29 0.039 7.064 3.677 1.00 0.00 O ATOM 434 CB HIS A 29 -1.189 8.524 1.117 1.00 0.00 C ATOM 435 CG HIS A 29 -2.235 9.283 0.359 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.577 9.230 0.670 1.00 0.00 N ATOM 437 CD2 HIS A 29 -2.128 10.117 -0.701 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.251 9.998 -0.167 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.395 10.548 -1.009 1.00 0.00 N ATOM 0 H HIS A 29 -1.775 9.025 3.707 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.526 6.957 1.723 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.513 9.232 1.596 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.594 7.941 0.414 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.216 10.392 -1.210 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.320 10.150 -0.163 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.636 11.189 -1.765 1.00 0.00 H new ATOM 448 N TYR A 30 -0.514 5.510 2.148 1.00 0.00 N ATOM 449 CA TYR A 30 0.501 4.559 2.586 1.00 0.00 C ATOM 450 C TYR A 30 1.474 4.241 1.455 1.00 0.00 C ATOM 451 O TYR A 30 1.075 3.763 0.392 1.00 0.00 O ATOM 452 CB TYR A 30 -0.157 3.272 3.085 1.00 0.00 C ATOM 453 CG TYR A 30 -1.059 3.477 4.281 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.531 3.606 5.560 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.439 3.540 4.133 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.351 3.793 6.656 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.267 3.728 5.223 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.718 3.854 6.482 1.00 0.00 C ATOM 459 OH TYR A 30 -3.539 4.040 7.570 1.00 0.00 O ATOM 0 H TYR A 30 -1.085 5.187 1.367 1.00 0.00 H new ATOM 0 HA TYR A 30 1.060 5.014 3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.738 2.833 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.620 2.554 3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.539 3.559 5.700 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.872 3.440 3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.924 3.891 7.643 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.338 3.776 5.090 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.473 4.061 7.275 1.00 0.00 H new ATOM 469 N LEU A 31 2.754 4.509 1.691 1.00 0.00 N ATOM 470 CA LEU A 31 3.786 4.251 0.694 1.00 0.00 C ATOM 471 C LEU A 31 3.958 2.754 0.462 1.00 0.00 C ATOM 472 O LEU A 31 4.777 2.104 1.113 1.00 0.00 O ATOM 473 CB LEU A 31 5.116 4.866 1.136 1.00 0.00 C ATOM 474 CG LEU A 31 6.275 4.741 0.147 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.805 5.045 -1.267 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.416 5.667 0.543 1.00 0.00 C ATOM 0 H LEU A 31 3.101 4.905 2.564 1.00 0.00 H new ATOM 0 HA LEU A 31 3.473 4.711 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.953 5.924 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.414 4.400 2.075 1.00 0.00 H new ATOM 0 HG LEU A 31 6.641 3.715 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.643 4.951 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.022 4.341 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.412 6.061 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.232 5.565 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.063 6.698 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.771 5.402 1.539 1.00 0.00 H new ATOM 488 N ILE A 32 3.181 2.212 -0.471 1.00 0.00 N ATOM 489 CA ILE A 32 3.250 0.792 -0.791 1.00 0.00 C ATOM 490 C ILE A 32 4.432 0.491 -1.706 1.00 0.00 C ATOM 491 O ILE A 32 4.653 1.182 -2.701 1.00 0.00 O ATOM 492 CB ILE A 32 1.954 0.304 -1.466 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.752 0.555 -0.554 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.063 -1.173 -1.815 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.573 0.195 -1.188 1.00 0.00 C ATOM 0 H ILE A 32 2.497 2.735 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 32 3.381 0.262 0.152 1.00 0.00 H new ATOM 0 HB ILE A 32 1.808 0.866 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.875 -0.021 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.736 1.607 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.140 -1.503 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.898 -1.325 -2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.229 -1.750 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.380 0.399 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.718 0.790 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.577 -0.864 -1.447 1.00 0.00 H new ATOM 507 N LYS A 33 5.188 -0.547 -1.365 1.00 0.00 N ATOM 508 CA LYS A 33 6.346 -0.943 -2.157 1.00 0.00 C ATOM 509 C LYS A 33 6.063 -2.226 -2.932 1.00 0.00 C ATOM 510 O LYS A 33 6.201 -3.327 -2.399 1.00 0.00 O ATOM 511 CB LYS A 33 7.565 -1.140 -1.253 1.00 0.00 C ATOM 512 CG LYS A 33 8.783 -1.680 -1.982 1.00 0.00 C ATOM 513 CD LYS A 33 9.740 -2.377 -1.030 1.00 0.00 C ATOM 514 CE LYS A 33 11.086 -2.641 -1.687 1.00 0.00 C ATOM 515 NZ LYS A 33 11.875 -3.663 -0.944 1.00 0.00 N ATOM 0 H LYS A 33 5.019 -1.129 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 33 6.555 -0.147 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.822 -0.187 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.302 -1.824 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.465 -2.379 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.300 -0.862 -2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.882 -1.763 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.304 -3.320 -0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.930 -2.977 -2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.653 -1.712 -1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.510 -4.157 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.438 -3.197 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.228 -4.350 -0.506 1.00 0.00 H new ATOM 529 N TRP A 34 5.667 -2.076 -4.191 1.00 0.00 N ATOM 530 CA TRP A 34 5.366 -3.223 -5.039 1.00 0.00 C ATOM 531 C TRP A 34 6.504 -4.238 -5.007 1.00 0.00 C ATOM 532 O TRP A 34 7.575 -4.001 -5.566 1.00 0.00 O ATOM 533 CB TRP A 34 5.113 -2.768 -6.477 1.00 0.00 C ATOM 534 CG TRP A 34 4.075 -1.692 -6.586 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.260 -0.417 -7.037 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.691 -1.798 -6.234 1.00 0.00 C ATOM 537 NE1 TRP A 34 3.075 0.277 -6.987 1.00 0.00 N ATOM 538 CE2 TRP A 34 2.097 -0.548 -6.499 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.895 -2.827 -5.722 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.746 -0.303 -6.268 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.555 -2.581 -5.494 1.00 0.00 C ATOM 542 CH2 TRP A 34 -0.009 -1.328 -5.767 1.00 0.00 C ATOM 0 H TRP A 34 5.547 -1.171 -4.647 1.00 0.00 H new ATOM 0 HA TRP A 34 4.466 -3.702 -4.653 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.048 -2.406 -6.906 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.800 -3.626 -7.072 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.200 -0.013 -7.383 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.945 1.249 -7.268 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.320 -3.797 -5.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.309 0.662 -6.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.069 -3.369 -5.098 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.060 -1.168 -5.578 1.00 0.00 H new ATOM 553 N ARG A 35 6.264 -5.368 -4.351 1.00 0.00 N ATOM 554 CA ARG A 35 7.270 -6.418 -4.246 1.00 0.00 C ATOM 555 C ARG A 35 8.111 -6.495 -5.517 1.00 0.00 C ATOM 556 O ARG A 35 9.305 -6.196 -5.502 1.00 0.00 O ATOM 557 CB ARG A 35 6.602 -7.769 -3.980 1.00 0.00 C ATOM 558 CG ARG A 35 5.966 -7.874 -2.604 1.00 0.00 C ATOM 559 CD ARG A 35 5.409 -9.266 -2.352 1.00 0.00 C ATOM 560 NE ARG A 35 6.422 -10.172 -1.815 1.00 0.00 N ATOM 561 CZ ARG A 35 6.724 -10.252 -0.524 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.095 -9.486 0.357 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.657 -11.101 -0.112 1.00 0.00 N ATOM 0 H ARG A 35 5.382 -5.580 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 35 7.927 -6.175 -3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.838 -7.942 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.345 -8.559 -4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.706 -7.634 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.166 -7.139 -2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.574 -9.202 -1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.016 -9.673 -3.283 1.00 0.00 H new ATOM 0 HE ARG A 35 6.924 -10.775 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.377 -8.833 0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.329 -9.550 1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.142 -11.692 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.889 -11.162 0.879 1.00 0.00 H new ATOM 577 N ASP A 36 7.479 -6.898 -6.614 1.00 0.00 N ATOM 578 CA ASP A 36 8.168 -7.014 -7.894 1.00 0.00 C ATOM 579 C ASP A 36 9.129 -5.848 -8.101 1.00 0.00 C ATOM 580 O ASP A 36 10.322 -6.046 -8.336 1.00 0.00 O ATOM 581 CB ASP A 36 7.156 -7.067 -9.039 1.00 0.00 C ATOM 582 CG ASP A 36 7.818 -7.004 -10.401 1.00 0.00 C ATOM 583 OD1 ASP A 36 8.164 -8.075 -10.944 1.00 0.00 O ATOM 584 OD2 ASP A 36 7.991 -5.884 -10.925 1.00 0.00 O ATOM 0 H ASP A 36 6.491 -7.150 -6.642 1.00 0.00 H new ATOM 0 HA ASP A 36 8.744 -7.939 -7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.574 -7.986 -8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.456 -6.237 -8.940 1.00 0.00 H new ATOM 589 N LEU A 37 8.602 -4.632 -8.015 1.00 0.00 N ATOM 590 CA LEU A 37 9.413 -3.432 -8.194 1.00 0.00 C ATOM 591 C LEU A 37 10.314 -3.198 -6.986 1.00 0.00 C ATOM 592 O LEU A 37 9.998 -3.586 -5.861 1.00 0.00 O ATOM 593 CB LEU A 37 8.514 -2.214 -8.418 1.00 0.00 C ATOM 594 CG LEU A 37 7.572 -2.287 -9.620 1.00 0.00 C ATOM 595 CD1 LEU A 37 6.617 -1.104 -9.622 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.365 -2.337 -10.917 1.00 0.00 C ATOM 0 H LEU A 37 7.617 -4.450 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 37 10.044 -3.577 -9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.914 -2.060 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.149 -1.335 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 37 6.984 -3.202 -9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.954 -1.173 -10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.024 -1.113 -8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.187 -0.176 -9.675 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.678 -2.389 -11.762 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.979 -1.440 -11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.007 -3.218 -10.917 1.00 0.00 H new ATOM 608 N PRO A 38 11.463 -2.547 -7.222 1.00 0.00 N ATOM 609 CA PRO A 38 12.432 -2.245 -6.164 1.00 0.00 C ATOM 610 C PRO A 38 11.919 -1.188 -5.193 1.00 0.00 C ATOM 611 O PRO A 38 10.737 -0.842 -5.204 1.00 0.00 O ATOM 612 CB PRO A 38 13.645 -1.718 -6.936 1.00 0.00 C ATOM 613 CG PRO A 38 13.082 -1.183 -8.207 1.00 0.00 C ATOM 614 CD PRO A 38 11.904 -2.057 -8.538 1.00 0.00 C ATOM 0 HA PRO A 38 12.647 -3.117 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.164 -0.941 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.368 -2.511 -7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.776 -0.143 -8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.824 -1.210 -9.005 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.117 -1.497 -9.043 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.185 -2.877 -9.199 1.00 0.00 H new ATOM 622 N TYR A 39 12.813 -0.678 -4.354 1.00 0.00 N ATOM 623 CA TYR A 39 12.450 0.338 -3.373 1.00 0.00 C ATOM 624 C TYR A 39 12.435 1.726 -4.008 1.00 0.00 C ATOM 625 O TYR A 39 11.636 2.584 -3.632 1.00 0.00 O ATOM 626 CB TYR A 39 13.426 0.314 -2.196 1.00 0.00 C ATOM 627 CG TYR A 39 13.087 1.306 -1.107 1.00 0.00 C ATOM 628 CD1 TYR A 39 11.982 1.116 -0.287 1.00 0.00 C ATOM 629 CD2 TYR A 39 13.870 2.435 -0.899 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.667 2.020 0.709 1.00 0.00 C ATOM 631 CE2 TYR A 39 13.564 3.344 0.095 1.00 0.00 C ATOM 632 CZ TYR A 39 12.461 3.132 0.896 1.00 0.00 C ATOM 633 OH TYR A 39 12.152 4.036 1.887 1.00 0.00 O ATOM 0 H TYR A 39 13.795 -0.952 -4.333 1.00 0.00 H new ATOM 0 HA TYR A 39 11.448 0.113 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.443 -0.689 -1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.431 0.521 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.358 0.246 -0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.733 2.605 -1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.804 1.857 1.338 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.184 4.215 0.244 1.00 0.00 H new ATOM 0 HH TYR A 39 12.812 4.761 1.886 1.00 0.00 H new ATOM 643 N ASP A 40 13.325 1.938 -4.971 1.00 0.00 N ATOM 644 CA ASP A 40 13.414 3.220 -5.660 1.00 0.00 C ATOM 645 C ASP A 40 12.285 3.372 -6.674 1.00 0.00 C ATOM 646 O ASP A 40 12.149 4.415 -7.314 1.00 0.00 O ATOM 647 CB ASP A 40 14.767 3.353 -6.362 1.00 0.00 C ATOM 648 CG ASP A 40 15.011 4.753 -6.888 1.00 0.00 C ATOM 649 OD1 ASP A 40 15.339 5.644 -6.075 1.00 0.00 O ATOM 650 OD2 ASP A 40 14.876 4.959 -8.112 1.00 0.00 O ATOM 0 H ASP A 40 13.995 1.239 -5.292 1.00 0.00 H new ATOM 0 HA ASP A 40 13.319 4.011 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.562 3.086 -5.666 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.815 2.644 -7.188 1.00 0.00 H new ATOM 655 N GLN A 41 11.478 2.326 -6.815 1.00 0.00 N ATOM 656 CA GLN A 41 10.361 2.343 -7.753 1.00 0.00 C ATOM 657 C GLN A 41 9.028 2.360 -7.012 1.00 0.00 C ATOM 658 O GLN A 41 7.965 2.417 -7.628 1.00 0.00 O ATOM 659 CB GLN A 41 10.427 1.128 -8.680 1.00 0.00 C ATOM 660 CG GLN A 41 11.573 1.185 -9.677 1.00 0.00 C ATOM 661 CD GLN A 41 11.182 1.861 -10.977 1.00 0.00 C ATOM 662 OE1 GLN A 41 10.417 2.825 -10.983 1.00 0.00 O ATOM 663 NE2 GLN A 41 11.708 1.357 -12.088 1.00 0.00 N ATOM 0 H GLN A 41 11.576 1.456 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 41 10.435 3.251 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.526 0.226 -8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.486 1.045 -9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.411 1.720 -9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.917 0.172 -9.888 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.338 0.556 -12.036 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.482 1.771 -12.993 1.00 0.00 H new ATOM 672 N ALA A 42 9.094 2.311 -5.685 1.00 0.00 N ATOM 673 CA ALA A 42 7.892 2.322 -4.860 1.00 0.00 C ATOM 674 C ALA A 42 6.962 3.461 -5.262 1.00 0.00 C ATOM 675 O ALA A 42 7.407 4.488 -5.774 1.00 0.00 O ATOM 676 CB ALA A 42 8.264 2.435 -3.389 1.00 0.00 C ATOM 0 H ALA A 42 9.967 2.263 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 42 7.362 1.383 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.357 2.442 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.884 1.585 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.818 3.359 -3.224 1.00 0.00 H new ATOM 682 N SER A 43 5.667 3.273 -5.026 1.00 0.00 N ATOM 683 CA SER A 43 4.673 4.283 -5.367 1.00 0.00 C ATOM 684 C SER A 43 3.690 4.488 -4.219 1.00 0.00 C ATOM 685 O SER A 43 3.274 3.532 -3.565 1.00 0.00 O ATOM 686 CB SER A 43 3.917 3.877 -6.634 1.00 0.00 C ATOM 687 OG SER A 43 4.620 4.277 -7.798 1.00 0.00 O ATOM 0 H SER A 43 5.282 2.430 -4.600 1.00 0.00 H new ATOM 0 HA SER A 43 5.194 5.223 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.774 2.797 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.926 4.330 -6.631 1.00 0.00 H new ATOM 0 HG SER A 43 4.117 4.004 -8.594 1.00 0.00 H new ATOM 693 N TRP A 44 3.323 5.742 -3.979 1.00 0.00 N ATOM 694 CA TRP A 44 2.389 6.074 -2.909 1.00 0.00 C ATOM 695 C TRP A 44 0.974 5.635 -3.267 1.00 0.00 C ATOM 696 O TRP A 44 0.514 5.847 -4.388 1.00 0.00 O ATOM 697 CB TRP A 44 2.415 7.578 -2.630 1.00 0.00 C ATOM 698 CG TRP A 44 3.490 7.986 -1.669 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.695 8.548 -1.978 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.457 7.860 -0.243 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.414 8.780 -0.830 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.676 8.368 0.248 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.516 7.371 0.667 1.00 0.00 C ATOM 704 CZ2 TRP A 44 4.975 8.397 1.607 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.815 7.400 2.015 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.036 7.911 2.476 1.00 0.00 C ATOM 0 H TRP A 44 3.658 6.545 -4.511 1.00 0.00 H new ATOM 0 HA TRP A 44 2.699 5.540 -2.011 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.556 8.112 -3.570 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.447 7.883 -2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.034 8.777 -2.978 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.346 9.192 -0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.571 6.977 0.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.916 8.790 1.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.095 7.022 2.726 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.240 7.921 3.537 1.00 0.00 H new ATOM 717 N GLU A 45 0.289 5.022 -2.306 1.00 0.00 N ATOM 718 CA GLU A 45 -1.075 4.553 -2.522 1.00 0.00 C ATOM 719 C GLU A 45 -1.980 4.957 -1.362 1.00 0.00 C ATOM 720 O GLU A 45 -1.733 4.593 -0.212 1.00 0.00 O ATOM 721 CB GLU A 45 -1.094 3.032 -2.692 1.00 0.00 C ATOM 722 CG GLU A 45 -0.336 2.547 -3.916 1.00 0.00 C ATOM 723 CD GLU A 45 -0.964 3.013 -5.214 1.00 0.00 C ATOM 724 OE1 GLU A 45 -2.209 3.006 -5.308 1.00 0.00 O ATOM 725 OE2 GLU A 45 -0.209 3.386 -6.137 1.00 0.00 O ATOM 0 H GLU A 45 0.656 4.839 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.452 5.018 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.665 2.570 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.129 2.695 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.693 2.903 -3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.297 1.458 -3.906 1.00 0.00 H new ATOM 732 N SER A 46 -3.028 5.714 -1.672 1.00 0.00 N ATOM 733 CA SER A 46 -3.967 6.172 -0.656 1.00 0.00 C ATOM 734 C SER A 46 -4.418 5.014 0.229 1.00 0.00 C ATOM 735 O SER A 46 -4.004 3.872 0.033 1.00 0.00 O ATOM 736 CB SER A 46 -5.182 6.829 -1.314 1.00 0.00 C ATOM 737 OG SER A 46 -5.417 6.291 -2.603 1.00 0.00 O ATOM 0 H SER A 46 -3.248 6.023 -2.619 1.00 0.00 H new ATOM 0 HA SER A 46 -3.459 6.907 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.062 6.681 -0.689 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.022 7.905 -1.389 1.00 0.00 H new ATOM 0 HG SER A 46 -6.200 6.726 -3.001 1.00 0.00 H new ATOM 743 N GLU A 47 -5.269 5.319 1.204 1.00 0.00 N ATOM 744 CA GLU A 47 -5.776 4.304 2.120 1.00 0.00 C ATOM 745 C GLU A 47 -7.140 3.792 1.665 1.00 0.00 C ATOM 746 O GLU A 47 -7.788 3.014 2.365 1.00 0.00 O ATOM 747 CB GLU A 47 -5.878 4.870 3.538 1.00 0.00 C ATOM 748 CG GLU A 47 -6.937 5.949 3.687 1.00 0.00 C ATOM 749 CD GLU A 47 -7.433 6.086 5.114 1.00 0.00 C ATOM 750 OE1 GLU A 47 -7.348 5.094 5.868 1.00 0.00 O ATOM 751 OE2 GLU A 47 -7.907 7.183 5.475 1.00 0.00 O ATOM 0 H GLU A 47 -5.621 6.260 1.380 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.076 3.469 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.099 4.057 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.910 5.280 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.527 6.903 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.779 5.719 3.034 1.00 0.00 H new ATOM 758 N ASP A 48 -7.569 4.236 0.489 1.00 0.00 N ATOM 759 CA ASP A 48 -8.855 3.824 -0.060 1.00 0.00 C ATOM 760 C ASP A 48 -8.671 2.750 -1.128 1.00 0.00 C ATOM 761 O ASP A 48 -9.623 2.068 -1.508 1.00 0.00 O ATOM 762 CB ASP A 48 -9.591 5.028 -0.652 1.00 0.00 C ATOM 763 CG ASP A 48 -10.985 4.676 -1.132 1.00 0.00 C ATOM 764 OD1 ASP A 48 -11.123 4.270 -2.305 1.00 0.00 O ATOM 765 OD2 ASP A 48 -11.938 4.807 -0.336 1.00 0.00 O ATOM 0 H ASP A 48 -7.045 4.881 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.451 3.406 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.657 5.815 0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.014 5.429 -1.485 1.00 0.00 H new ATOM 770 N VAL A 49 -7.440 2.605 -1.608 1.00 0.00 N ATOM 771 CA VAL A 49 -7.131 1.614 -2.632 1.00 0.00 C ATOM 772 C VAL A 49 -7.308 0.198 -2.097 1.00 0.00 C ATOM 773 O VAL A 49 -7.014 -0.078 -0.934 1.00 0.00 O ATOM 774 CB VAL A 49 -5.691 1.777 -3.154 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.558 3.059 -3.963 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.701 1.761 -2.000 1.00 0.00 C ATOM 0 H VAL A 49 -6.641 3.161 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.828 1.779 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.464 0.936 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.534 3.157 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.240 3.026 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.804 3.914 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.689 1.877 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.925 2.581 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.779 0.813 -1.467 1.00 0.00 H new ATOM 786 N GLU A 50 -7.791 -0.697 -2.954 1.00 0.00 N ATOM 787 CA GLU A 50 -8.007 -2.086 -2.566 1.00 0.00 C ATOM 788 C GLU A 50 -6.902 -2.983 -3.115 1.00 0.00 C ATOM 789 O GLU A 50 -6.724 -3.094 -4.329 1.00 0.00 O ATOM 790 CB GLU A 50 -9.369 -2.572 -3.066 1.00 0.00 C ATOM 791 CG GLU A 50 -9.465 -2.662 -4.580 1.00 0.00 C ATOM 792 CD GLU A 50 -10.896 -2.780 -5.068 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.780 -2.129 -4.473 1.00 0.00 O ATOM 794 OE2 GLU A 50 -11.131 -3.524 -6.043 1.00 0.00 O ATOM 0 H GLU A 50 -8.040 -0.485 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.987 -2.140 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.575 -3.553 -2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.143 -1.897 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.006 -1.778 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.895 -3.524 -4.926 1.00 0.00 H new ATOM 801 N ILE A 51 -6.162 -3.620 -2.214 1.00 0.00 N ATOM 802 CA ILE A 51 -5.075 -4.507 -2.608 1.00 0.00 C ATOM 803 C ILE A 51 -5.042 -5.758 -1.736 1.00 0.00 C ATOM 804 O ILE A 51 -5.595 -5.773 -0.636 1.00 0.00 O ATOM 805 CB ILE A 51 -3.710 -3.798 -2.520 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.776 -2.431 -3.204 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.625 -4.659 -3.149 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.764 -1.440 -2.672 1.00 0.00 C ATOM 0 H ILE A 51 -6.296 -3.538 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.261 -4.793 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.463 -3.646 -1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.617 -2.561 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.777 -2.019 -3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.666 -4.145 -3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.565 -5.611 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.865 -4.839 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.868 -0.493 -3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.936 -1.280 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.758 -1.831 -2.822 1.00 0.00 H new ATOM 820 N GLN A 52 -4.390 -6.803 -2.234 1.00 0.00 N ATOM 821 CA GLN A 52 -4.285 -8.058 -1.500 1.00 0.00 C ATOM 822 C GLN A 52 -3.906 -7.807 -0.044 1.00 0.00 C ATOM 823 O GLN A 52 -2.933 -7.108 0.242 1.00 0.00 O ATOM 824 CB GLN A 52 -3.252 -8.974 -2.158 1.00 0.00 C ATOM 825 CG GLN A 52 -3.551 -10.454 -1.982 1.00 0.00 C ATOM 826 CD GLN A 52 -2.578 -11.339 -2.736 1.00 0.00 C ATOM 827 OE1 GLN A 52 -2.514 -11.305 -3.965 1.00 0.00 O ATOM 828 NE2 GLN A 52 -1.813 -12.139 -2.002 1.00 0.00 N ATOM 0 H GLN A 52 -3.927 -6.806 -3.143 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.259 -8.546 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.203 -8.746 -3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.269 -8.758 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.517 -10.704 -0.922 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.565 -10.659 -2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.899 -12.135 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.140 -12.757 -2.455 1.00 0.00 H new ATOM 837 N ASP A 53 -4.679 -8.380 0.871 1.00 0.00 N ATOM 838 CA ASP A 53 -4.423 -8.219 2.298 1.00 0.00 C ATOM 839 C ASP A 53 -3.924 -6.811 2.605 1.00 0.00 C ATOM 840 O ASP A 53 -3.021 -6.625 3.421 1.00 0.00 O ATOM 841 CB ASP A 53 -3.400 -9.251 2.774 1.00 0.00 C ATOM 842 CG ASP A 53 -3.837 -10.675 2.488 1.00 0.00 C ATOM 843 OD1 ASP A 53 -5.058 -10.907 2.363 1.00 0.00 O ATOM 844 OD2 ASP A 53 -2.958 -11.556 2.390 1.00 0.00 O ATOM 0 H ASP A 53 -5.488 -8.960 0.651 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.361 -8.377 2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.444 -9.062 2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.240 -9.132 3.845 1.00 0.00 H new ATOM 849 N TYR A 54 -4.517 -5.822 1.945 1.00 0.00 N ATOM 850 CA TYR A 54 -4.130 -4.430 2.144 1.00 0.00 C ATOM 851 C TYR A 54 -4.487 -3.962 3.552 1.00 0.00 C ATOM 852 O TYR A 54 -3.729 -3.227 4.185 1.00 0.00 O ATOM 853 CB TYR A 54 -4.814 -3.536 1.109 1.00 0.00 C ATOM 854 CG TYR A 54 -4.325 -2.105 1.128 1.00 0.00 C ATOM 855 CD1 TYR A 54 -2.980 -1.811 1.314 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.210 -1.046 0.960 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.530 -0.505 1.334 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.769 0.263 0.977 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.428 0.528 1.164 1.00 0.00 C ATOM 860 OH TYR A 54 -2.984 1.830 1.181 1.00 0.00 O ATOM 0 H TYR A 54 -5.267 -5.958 1.268 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.050 -4.358 2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.651 -3.954 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.889 -3.546 1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.274 -2.618 1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.260 -1.250 0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.481 -0.294 1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.470 1.074 0.845 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.380 2.320 0.431 1.00 0.00 H new ATOM 870 N ASP A 55 -5.647 -4.394 4.035 1.00 0.00 N ATOM 871 CA ASP A 55 -6.106 -4.022 5.368 1.00 0.00 C ATOM 872 C ASP A 55 -5.185 -4.597 6.440 1.00 0.00 C ATOM 873 O ASP A 55 -4.968 -3.980 7.484 1.00 0.00 O ATOM 874 CB ASP A 55 -7.538 -4.509 5.593 1.00 0.00 C ATOM 875 CG ASP A 55 -8.515 -3.911 4.601 1.00 0.00 C ATOM 876 OD1 ASP A 55 -9.035 -2.809 4.871 1.00 0.00 O ATOM 877 OD2 ASP A 55 -8.762 -4.546 3.553 1.00 0.00 O ATOM 0 H ASP A 55 -6.286 -5.002 3.523 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.085 -2.935 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.565 -5.596 5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.851 -4.254 6.605 1.00 0.00 H new ATOM 882 N LEU A 56 -4.647 -5.783 6.176 1.00 0.00 N ATOM 883 CA LEU A 56 -3.750 -6.443 7.119 1.00 0.00 C ATOM 884 C LEU A 56 -2.461 -5.647 7.292 1.00 0.00 C ATOM 885 O LEU A 56 -2.055 -5.338 8.413 1.00 0.00 O ATOM 886 CB LEU A 56 -3.428 -7.859 6.640 1.00 0.00 C ATOM 887 CG LEU A 56 -4.610 -8.827 6.563 1.00 0.00 C ATOM 888 CD1 LEU A 56 -4.119 -10.263 6.462 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.519 -8.655 7.770 1.00 0.00 C ATOM 0 H LEU A 56 -4.816 -6.307 5.317 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.253 -6.498 8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.974 -7.792 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.678 -8.285 7.307 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.185 -8.598 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.974 -10.937 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.510 -10.377 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.521 -10.506 7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.354 -9.351 7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.956 -8.856 8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.899 -7.634 7.797 1.00 0.00 H new ATOM 901 N PHE A 57 -1.821 -5.316 6.175 1.00 0.00 N ATOM 902 CA PHE A 57 -0.578 -4.554 6.203 1.00 0.00 C ATOM 903 C PHE A 57 -0.756 -3.250 6.975 1.00 0.00 C ATOM 904 O PHE A 57 -0.012 -2.963 7.913 1.00 0.00 O ATOM 905 CB PHE A 57 -0.106 -4.256 4.779 1.00 0.00 C ATOM 906 CG PHE A 57 0.696 -5.369 4.168 1.00 0.00 C ATOM 907 CD1 PHE A 57 0.110 -6.594 3.894 1.00 0.00 C ATOM 908 CD2 PHE A 57 2.037 -5.191 3.868 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.845 -7.621 3.331 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.777 -6.214 3.305 1.00 0.00 C ATOM 911 CZ PHE A 57 2.181 -7.430 3.038 1.00 0.00 C ATOM 0 H PHE A 57 -2.143 -5.564 5.239 1.00 0.00 H new ATOM 0 HA PHE A 57 0.176 -5.156 6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.975 -4.058 4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.496 -3.347 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.934 -6.749 4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.509 -4.242 4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.375 -8.571 3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.821 -6.062 3.074 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.759 -8.231 2.601 1.00 0.00 H new ATOM 921 N LYS A 58 -1.749 -2.463 6.574 1.00 0.00 N ATOM 922 CA LYS A 58 -2.028 -1.189 7.227 1.00 0.00 C ATOM 923 C LYS A 58 -2.195 -1.374 8.731 1.00 0.00 C ATOM 924 O LYS A 58 -1.695 -0.576 9.523 1.00 0.00 O ATOM 925 CB LYS A 58 -3.289 -0.555 6.636 1.00 0.00 C ATOM 926 CG LYS A 58 -3.262 -0.444 5.122 1.00 0.00 C ATOM 927 CD LYS A 58 -4.657 -0.545 4.530 1.00 0.00 C ATOM 928 CE LYS A 58 -5.302 0.824 4.382 1.00 0.00 C ATOM 929 NZ LYS A 58 -6.782 0.759 4.528 1.00 0.00 N ATOM 0 H LYS A 58 -2.374 -2.685 5.799 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.180 -0.526 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.156 -1.145 6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.419 0.440 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.812 0.506 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.633 -1.233 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.605 -1.031 3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.279 -1.174 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.893 1.501 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.051 1.240 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.225 1.441 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.112 -0.200 4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.045 0.991 5.507 1.00 0.00 H new ATOM 943 N GLN A 59 -2.901 -2.432 9.118 1.00 0.00 N ATOM 944 CA GLN A 59 -3.133 -2.721 10.528 1.00 0.00 C ATOM 945 C GLN A 59 -1.835 -3.118 11.223 1.00 0.00 C ATOM 946 O GLN A 59 -1.609 -2.769 12.382 1.00 0.00 O ATOM 947 CB GLN A 59 -4.168 -3.838 10.678 1.00 0.00 C ATOM 948 CG GLN A 59 -4.468 -4.199 12.124 1.00 0.00 C ATOM 949 CD GLN A 59 -5.558 -3.335 12.726 1.00 0.00 C ATOM 950 OE1 GLN A 59 -5.651 -2.142 12.437 1.00 0.00 O ATOM 951 NE2 GLN A 59 -6.391 -3.934 13.569 1.00 0.00 N ATOM 0 H GLN A 59 -3.322 -3.103 8.475 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.515 -1.816 11.000 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.093 -3.533 10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.810 -4.726 10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.767 -5.246 12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.559 -4.096 12.717 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.277 -4.925 13.780 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.145 -3.403 14.005 1.00 0.00 H new ATOM 960 N SER A 60 -0.985 -3.848 10.508 1.00 0.00 N ATOM 961 CA SER A 60 0.289 -4.296 11.058 1.00 0.00 C ATOM 962 C SER A 60 1.223 -3.113 11.296 1.00 0.00 C ATOM 963 O SER A 60 1.552 -2.787 12.437 1.00 0.00 O ATOM 964 CB SER A 60 0.950 -5.302 10.115 1.00 0.00 C ATOM 965 OG SER A 60 1.776 -6.205 10.830 1.00 0.00 O ATOM 0 H SER A 60 -1.156 -4.142 9.546 1.00 0.00 H new ATOM 0 HA SER A 60 0.094 -4.781 12.015 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.183 -5.856 9.574 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.544 -4.772 9.371 1.00 0.00 H new ATOM 0 HG SER A 60 2.186 -6.839 10.205 1.00 0.00 H new ATOM 971 N TYR A 61 1.647 -2.476 10.210 1.00 0.00 N ATOM 972 CA TYR A 61 2.546 -1.331 10.299 1.00 0.00 C ATOM 973 C TYR A 61 2.179 -0.440 11.481 1.00 0.00 C ATOM 974 O TYR A 61 3.027 -0.105 12.308 1.00 0.00 O ATOM 975 CB TYR A 61 2.503 -0.521 9.002 1.00 0.00 C ATOM 976 CG TYR A 61 3.293 0.767 9.066 1.00 0.00 C ATOM 977 CD1 TYR A 61 2.789 1.882 9.724 1.00 0.00 C ATOM 978 CD2 TYR A 61 4.543 0.868 8.468 1.00 0.00 C ATOM 979 CE1 TYR A 61 3.508 3.061 9.784 1.00 0.00 C ATOM 980 CE2 TYR A 61 5.269 2.042 8.525 1.00 0.00 C ATOM 981 CZ TYR A 61 4.747 3.135 9.183 1.00 0.00 C ATOM 982 OH TYR A 61 5.466 4.307 9.241 1.00 0.00 O ATOM 0 H TYR A 61 1.383 -2.733 9.259 1.00 0.00 H new ATOM 0 HA TYR A 61 3.558 -1.707 10.452 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.889 -1.134 8.188 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.465 -0.289 8.762 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.819 1.827 10.196 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.954 0.014 7.950 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.102 3.919 10.299 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.240 2.103 8.057 1.00 0.00 H new ATOM 0 HH TYR A 61 6.317 4.192 8.769 1.00 0.00 H new ATOM 992 N TRP A 62 0.908 -0.060 11.554 1.00 0.00 N ATOM 993 CA TRP A 62 0.426 0.792 12.635 1.00 0.00 C ATOM 994 C TRP A 62 0.789 0.205 13.995 1.00 0.00 C ATOM 995 O TRP A 62 1.348 0.891 14.849 1.00 0.00 O ATOM 996 CB TRP A 62 -1.089 0.974 12.533 1.00 0.00 C ATOM 997 CG TRP A 62 -1.493 2.082 11.609 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.393 2.009 10.584 1.00 0.00 C ATOM 999 CD2 TRP A 62 -1.010 3.430 11.624 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.499 3.229 9.962 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -1.661 4.118 10.582 1.00 0.00 C ATOM 1002 CE3 TRP A 62 -0.092 4.123 12.418 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.421 5.463 10.314 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 0.145 5.458 12.152 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -0.517 6.117 11.107 1.00 0.00 C ATOM 0 H TRP A 62 0.193 -0.328 10.878 1.00 0.00 H new ATOM 0 HA TRP A 62 0.909 1.764 12.539 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.537 0.042 12.189 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.491 1.174 13.526 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -2.941 1.122 10.304 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -3.103 3.439 9.168 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.423 3.624 13.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.930 5.972 9.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.852 6.003 12.760 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.310 7.161 10.924 1.00 0.00 H new ATOM 1016 N ASN A 63 0.468 -1.070 14.188 1.00 0.00 N ATOM 1017 CA ASN A 63 0.761 -1.750 15.445 1.00 0.00 C ATOM 1018 C ASN A 63 2.266 -1.870 15.661 1.00 0.00 C ATOM 1019 O ASN A 63 2.813 -1.318 16.616 1.00 0.00 O ATOM 1020 CB ASN A 63 0.120 -3.139 15.459 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.375 -3.084 15.709 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -1.833 -2.458 16.665 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.143 -3.741 14.847 1.00 0.00 N ATOM 0 H ASN A 63 0.005 -1.653 13.491 1.00 0.00 H new ATOM 0 HA ASN A 63 0.342 -1.156 16.257 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.308 -3.632 14.505 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.593 -3.746 16.231 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.156 -3.740 14.963 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.719 -4.246 14.069 1.00 0.00 H new ATOM 1030 N HIS A 64 2.931 -2.595 14.766 1.00 0.00 N ATOM 1031 CA HIS A 64 4.374 -2.787 14.858 1.00 0.00 C ATOM 1032 C HIS A 64 5.090 -2.078 13.712 1.00 0.00 C ATOM 1033 O HIS A 64 6.205 -1.583 13.876 1.00 0.00 O ATOM 1034 CB HIS A 64 4.713 -4.277 14.842 1.00 0.00 C ATOM 1035 CG HIS A 64 4.435 -4.969 16.141 1.00 0.00 C ATOM 1036 ND1 HIS A 64 5.135 -6.077 16.569 1.00 0.00 N ATOM 1037 CD2 HIS A 64 3.527 -4.702 17.109 1.00 0.00 C ATOM 1038 CE1 HIS A 64 4.668 -6.463 17.743 1.00 0.00 C ATOM 1039 NE2 HIS A 64 3.692 -5.645 18.093 1.00 0.00 N ATOM 0 H HIS A 64 2.494 -3.059 13.970 1.00 0.00 H new ATOM 0 HA HIS A 64 4.714 -2.355 15.799 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.141 -4.763 14.051 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.767 -4.399 14.593 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.807 -3.897 17.107 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.024 -7.305 18.319 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.149 -5.704 18.954 1.00 0.00 H new TER 1048 HIS A 64