USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 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 25 ASN : amide:sc= -5.26! C(o=-6.2!,f=-19!) USER MOD Set 1.2: A 29 GLN : amide:sc= 0.542 K(o=-6.2,f=-13!) USER MOD Set 1.3: A 74 LYS NZ :NH3+ 168:sc= -1.48! (180deg=-2.81!) USER MOD Single : A 1 GLY N :NH3+ -162:sc= 0 (180deg=-0.115) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 5 MET CE :methyl -160:sc= -0.138 (180deg=-0.684) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc=-0.00128 (180deg=-0.143) USER MOD Single : A 8 MET CE :methyl 156:sc= -0.199 (180deg=-1.01) USER MOD Single : A 9 SER OG : rot -170:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -3.25! K(o=-3.3!,f=0.45) USER MOD Single : A 19 MET CE :methyl 161:sc= -0.0946 (180deg=-0.525) USER MOD Single : A 30 HIS : no HE2:sc= -1.43 X(o=-1.4,f=-1.5) USER MOD Single : A 31 SER OG : rot -128:sc= 0.223 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -145:sc= -0.68 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.896 K(o=-0.9,f=-5.4!) USER MOD Single : A 62 HIS : no HE2:sc= 0.757 K(o=0.76,f=-2.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00488 USER MOD Single : A 79 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.223 -28.122 16.573 1.00 22.30 N ATOM 2 CA GLY A 1 -5.419 -26.925 16.236 1.00 34.43 C ATOM 3 C GLY A 1 -4.667 -27.088 14.930 1.00 54.31 C ATOM 4 O GLY A 1 -3.510 -27.510 14.932 1.00 35.32 O ATOM 0 H1 GLY A 1 -6.940 -27.870 17.283 1.00 22.30 H new ATOM 0 H2 GLY A 1 -6.694 -28.477 15.716 1.00 22.30 H new ATOM 0 H3 GLY A 1 -5.601 -28.861 16.957 1.00 22.30 H new ATOM 0 HA2 GLY A 1 -6.074 -26.056 16.170 1.00 34.43 H new ATOM 0 HA3 GLY A 1 -4.709 -26.728 17.040 1.00 34.43 H new ATOM 10 N PRO A 2 -5.305 -26.785 13.784 1.00 3.42 N ATOM 11 CA PRO A 2 -4.637 -26.829 12.478 1.00 42.11 C ATOM 12 C PRO A 2 -3.493 -25.812 12.404 1.00 52.42 C ATOM 13 O PRO A 2 -3.723 -24.617 12.196 1.00 55.43 O ATOM 14 CB PRO A 2 -5.758 -26.481 11.474 1.00 10.24 C ATOM 15 CG PRO A 2 -7.033 -26.691 12.226 1.00 41.31 C ATOM 16 CD PRO A 2 -6.715 -26.380 13.664 1.00 31.52 C ATOM 0 HA PRO A 2 -4.179 -27.797 12.276 1.00 42.11 H new ATOM 0 HB2 PRO A 2 -5.670 -25.452 11.126 1.00 10.24 H new ATOM 0 HB3 PRO A 2 -5.710 -27.120 10.593 1.00 10.24 H new ATOM 0 HG2 PRO A 2 -7.821 -26.039 11.850 1.00 41.31 H new ATOM 0 HG3 PRO A 2 -7.388 -27.716 12.116 1.00 41.31 H new ATOM 0 HD2 PRO A 2 -6.852 -25.322 13.888 1.00 31.52 H new ATOM 0 HD3 PRO A 2 -7.355 -26.937 14.349 1.00 31.52 H new ATOM 24 N GLY A 3 -2.270 -26.289 12.631 1.00 45.01 N ATOM 25 CA GLY A 3 -1.101 -25.429 12.562 1.00 21.14 C ATOM 26 C GLY A 3 -0.654 -25.202 11.132 1.00 63.20 C ATOM 27 O GLY A 3 -0.065 -24.169 10.809 1.00 32.45 O ATOM 0 H GLY A 3 -2.069 -27.262 12.863 1.00 45.01 H new ATOM 0 HA2 GLY A 3 -1.327 -24.470 13.029 1.00 21.14 H new ATOM 0 HA3 GLY A 3 -0.286 -25.877 13.131 1.00 21.14 H new ATOM 31 N SER A 4 -0.936 -26.179 10.275 1.00 33.30 N ATOM 32 CA SER A 4 -0.625 -26.081 8.858 1.00 22.20 C ATOM 33 C SER A 4 -1.771 -25.387 8.119 1.00 43.34 C ATOM 34 O SER A 4 -2.943 -25.562 8.469 1.00 12.55 O ATOM 35 CB SER A 4 -0.379 -27.485 8.286 1.00 64.22 C ATOM 36 OG SER A 4 -1.427 -28.376 8.645 1.00 5.04 O ATOM 0 H SER A 4 -1.384 -27.055 10.544 1.00 33.30 H new ATOM 0 HA SER A 4 0.279 -25.487 8.724 1.00 22.20 H new ATOM 0 HB2 SER A 4 -0.301 -27.430 7.200 1.00 64.22 H new ATOM 0 HB3 SER A 4 0.572 -27.870 8.655 1.00 64.22 H new ATOM 0 HG SER A 4 -1.247 -29.262 8.267 1.00 5.04 H new ATOM 42 N MET A 5 -1.435 -24.595 7.106 1.00 14.31 N ATOM 43 CA MET A 5 -2.434 -23.863 6.335 1.00 21.41 C ATOM 44 C MET A 5 -1.997 -23.751 4.877 1.00 3.22 C ATOM 45 O MET A 5 -0.848 -23.416 4.594 1.00 24.55 O ATOM 46 CB MET A 5 -2.655 -22.466 6.938 1.00 54.22 C ATOM 47 CG MET A 5 -3.706 -21.638 6.210 1.00 4.32 C ATOM 48 SD MET A 5 -3.933 -20.001 6.940 1.00 52.35 S ATOM 49 CE MET A 5 -4.468 -20.427 8.598 1.00 62.22 C ATOM 0 H MET A 5 -0.474 -24.443 6.799 1.00 14.31 H new ATOM 0 HA MET A 5 -3.376 -24.410 6.374 1.00 21.41 H new ATOM 0 HB2 MET A 5 -2.951 -22.574 7.981 1.00 54.22 H new ATOM 0 HB3 MET A 5 -1.710 -21.924 6.929 1.00 54.22 H new ATOM 0 HG2 MET A 5 -3.416 -21.528 5.165 1.00 4.32 H new ATOM 0 HG3 MET A 5 -4.656 -22.172 6.223 1.00 4.32 H new ATOM 0 HE1 MET A 5 -4.977 -19.574 9.046 1.00 62.22 H new ATOM 0 HE2 MET A 5 -5.151 -21.275 8.553 1.00 62.22 H new ATOM 0 HE3 MET A 5 -3.601 -20.691 9.203 1.00 62.22 H new ATOM 59 N LYS A 6 -2.915 -24.038 3.959 1.00 60.02 N ATOM 60 CA LYS A 6 -2.633 -23.974 2.528 1.00 0.51 C ATOM 61 C LYS A 6 -3.757 -23.225 1.816 1.00 20.35 C ATOM 62 O LYS A 6 -4.937 -23.456 2.092 1.00 72.41 O ATOM 63 CB LYS A 6 -2.456 -25.387 1.924 1.00 22.24 C ATOM 64 CG LYS A 6 -3.673 -26.312 2.061 1.00 51.21 C ATOM 65 CD LYS A 6 -3.887 -26.793 3.498 1.00 43.02 C ATOM 66 CE LYS A 6 -5.115 -27.693 3.630 1.00 42.41 C ATOM 67 NZ LYS A 6 -5.018 -28.908 2.777 1.00 41.11 N ATOM 0 H LYS A 6 -3.869 -24.320 4.183 1.00 60.02 H new ATOM 0 HA LYS A 6 -1.695 -23.437 2.386 1.00 0.51 H new ATOM 0 HB2 LYS A 6 -2.214 -25.285 0.866 1.00 22.24 H new ATOM 0 HB3 LYS A 6 -1.601 -25.865 2.402 1.00 22.24 H new ATOM 0 HG2 LYS A 6 -4.565 -25.786 1.721 1.00 51.21 H new ATOM 0 HG3 LYS A 6 -3.544 -27.175 1.408 1.00 51.21 H new ATOM 0 HD2 LYS A 6 -3.003 -27.336 3.833 1.00 43.02 H new ATOM 0 HD3 LYS A 6 -3.999 -25.930 4.155 1.00 43.02 H new ATOM 0 HE2 LYS A 6 -5.234 -27.991 4.672 1.00 42.41 H new ATOM 0 HE3 LYS A 6 -6.007 -27.130 3.356 1.00 42.41 H new ATOM 0 HZ1 LYS A 6 -5.784 -29.567 3.023 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 -5.102 -28.637 1.776 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 -4.100 -29.371 2.935 1.00 41.11 H new ATOM 81 N ILE A 7 -3.385 -22.316 0.922 1.00 20.42 N ATOM 82 CA ILE A 7 -4.356 -21.506 0.194 1.00 44.41 C ATOM 83 C ILE A 7 -4.692 -22.139 -1.154 1.00 2.01 C ATOM 84 O ILE A 7 -3.803 -22.590 -1.882 1.00 74.52 O ATOM 85 CB ILE A 7 -3.840 -20.060 -0.028 1.00 64.54 C ATOM 86 CG1 ILE A 7 -2.488 -20.068 -0.770 1.00 73.53 C ATOM 87 CG2 ILE A 7 -3.722 -19.325 1.308 1.00 60.11 C ATOM 88 CD1 ILE A 7 -1.939 -18.686 -1.069 1.00 33.43 C ATOM 0 H ILE A 7 -2.413 -22.121 0.683 1.00 20.42 H new ATOM 0 HA ILE A 7 -5.258 -21.462 0.805 1.00 44.41 H new ATOM 0 HB ILE A 7 -4.561 -19.530 -0.650 1.00 64.54 H new ATOM 0 HG12 ILE A 7 -1.760 -20.615 -0.171 1.00 73.53 H new ATOM 0 HG13 ILE A 7 -2.603 -20.612 -1.707 1.00 73.53 H new ATOM 0 HG21 ILE A 7 -3.359 -18.312 1.135 1.00 60.11 H new ATOM 0 HG22 ILE A 7 -4.700 -19.283 1.788 1.00 60.11 H new ATOM 0 HG23 ILE A 7 -3.023 -19.856 1.955 1.00 60.11 H new ATOM 0 HD11 ILE A 7 -0.987 -18.778 -1.592 1.00 33.43 H new ATOM 0 HD12 ILE A 7 -2.646 -18.141 -1.695 1.00 33.43 H new ATOM 0 HD13 ILE A 7 -1.789 -18.144 -0.135 1.00 33.43 H new ATOM 100 N MET A 8 -5.980 -22.186 -1.477 1.00 64.41 N ATOM 101 CA MET A 8 -6.426 -22.674 -2.776 1.00 24.40 C ATOM 102 C MET A 8 -6.227 -21.586 -3.825 1.00 34.32 C ATOM 103 O MET A 8 -7.068 -20.698 -3.984 1.00 33.34 O ATOM 104 CB MET A 8 -7.898 -23.106 -2.730 1.00 14.01 C ATOM 105 CG MET A 8 -8.170 -24.309 -1.834 1.00 51.13 C ATOM 106 SD MET A 8 -9.892 -24.844 -1.905 1.00 50.30 S ATOM 107 CE MET A 8 -10.063 -25.201 -3.653 1.00 14.20 C ATOM 0 H MET A 8 -6.734 -21.892 -0.856 1.00 64.41 H new ATOM 0 HA MET A 8 -5.831 -23.548 -3.041 1.00 24.40 H new ATOM 0 HB2 MET A 8 -8.501 -22.266 -2.384 1.00 14.01 H new ATOM 0 HB3 MET A 8 -8.228 -23.339 -3.742 1.00 14.01 H new ATOM 0 HG2 MET A 8 -7.523 -25.134 -2.132 1.00 51.13 H new ATOM 0 HG3 MET A 8 -7.912 -24.058 -0.805 1.00 51.13 H new ATOM 0 HE1 MET A 8 -10.873 -25.915 -3.801 1.00 14.20 H new ATOM 0 HE2 MET A 8 -10.288 -24.281 -4.192 1.00 14.20 H new ATOM 0 HE3 MET A 8 -9.132 -25.624 -4.031 1.00 14.20 H new ATOM 117 N SER A 9 -5.094 -21.633 -4.509 1.00 52.42 N ATOM 118 CA SER A 9 -4.757 -20.632 -5.512 1.00 41.40 C ATOM 119 C SER A 9 -4.036 -21.279 -6.694 1.00 52.44 C ATOM 120 O SER A 9 -3.199 -22.168 -6.513 1.00 2.24 O ATOM 121 CB SER A 9 -3.887 -19.537 -4.884 1.00 11.15 C ATOM 122 OG SER A 9 -4.526 -18.978 -3.746 1.00 3.21 O ATOM 0 H SER A 9 -4.387 -22.359 -4.387 1.00 52.42 H new ATOM 0 HA SER A 9 -5.677 -20.180 -5.882 1.00 41.40 H new ATOM 0 HB2 SER A 9 -2.921 -19.953 -4.597 1.00 11.15 H new ATOM 0 HB3 SER A 9 -3.692 -18.755 -5.618 1.00 11.15 H new ATOM 0 HG SER A 9 -4.036 -18.181 -3.454 1.00 3.21 H new ATOM 128 N ASP A 10 -4.380 -20.831 -7.898 1.00 5.42 N ATOM 129 CA ASP A 10 -3.791 -21.360 -9.126 1.00 71.14 C ATOM 130 C ASP A 10 -2.295 -21.067 -9.181 1.00 13.53 C ATOM 131 O ASP A 10 -1.830 -20.033 -8.698 1.00 34.12 O ATOM 132 CB ASP A 10 -4.494 -20.765 -10.355 1.00 24.34 C ATOM 133 CG ASP A 10 -5.928 -21.248 -10.499 1.00 63.12 C ATOM 134 OD1 ASP A 10 -6.798 -20.790 -9.727 1.00 35.34 O ATOM 135 OD2 ASP A 10 -6.201 -22.079 -11.395 1.00 0.04 O ATOM 0 H ASP A 10 -5.070 -20.096 -8.051 1.00 5.42 H new ATOM 0 HA ASP A 10 -3.929 -22.441 -9.131 1.00 71.14 H new ATOM 0 HB2 ASP A 10 -4.486 -19.677 -10.282 1.00 24.34 H new ATOM 0 HB3 ASP A 10 -3.934 -21.028 -11.252 1.00 24.34 H new ATOM 140 N ASN A 11 -1.548 -21.997 -9.762 1.00 24.23 N ATOM 141 CA ASN A 11 -0.099 -21.878 -9.892 1.00 34.43 C ATOM 142 C ASN A 11 0.249 -21.435 -11.313 1.00 13.01 C ATOM 143 O ASN A 11 0.052 -22.194 -12.258 1.00 54.04 O ATOM 144 CB ASN A 11 0.578 -23.225 -9.582 1.00 22.21 C ATOM 145 CG ASN A 11 0.487 -23.644 -8.117 1.00 23.50 C ATOM 146 OD1 ASN A 11 1.375 -24.323 -7.602 1.00 72.51 O ATOM 147 ND2 ASN A 11 -0.581 -23.257 -7.434 1.00 70.34 N ATOM 0 H ASN A 11 -1.929 -22.857 -10.157 1.00 24.23 H new ATOM 0 HA ASN A 11 0.263 -21.136 -9.181 1.00 34.43 H new ATOM 0 HB2 ASN A 11 0.123 -23.999 -10.199 1.00 22.21 H new ATOM 0 HB3 ASN A 11 1.628 -23.166 -9.868 1.00 22.21 H new ATOM 0 HD21 ASN A 11 -0.683 -23.522 -6.454 1.00 70.34 H new ATOM 0 HD22 ASN A 11 -1.301 -22.695 -7.888 1.00 70.34 H new ATOM 154 N PRO A 12 0.778 -20.206 -11.485 1.00 75.11 N ATOM 155 CA PRO A 12 1.016 -19.610 -12.817 1.00 13.21 C ATOM 156 C PRO A 12 2.031 -20.389 -13.659 1.00 32.31 C ATOM 157 O PRO A 12 2.178 -20.141 -14.858 1.00 35.35 O ATOM 158 CB PRO A 12 1.544 -18.200 -12.490 1.00 12.34 C ATOM 159 CG PRO A 12 2.081 -18.307 -11.103 1.00 23.15 C ATOM 160 CD PRO A 12 1.190 -19.297 -10.400 1.00 32.52 C ATOM 0 HA PRO A 12 0.109 -19.614 -13.422 1.00 13.21 H new ATOM 0 HB2 PRO A 12 2.320 -17.895 -13.192 1.00 12.34 H new ATOM 0 HB3 PRO A 12 0.750 -17.456 -12.550 1.00 12.34 H new ATOM 0 HG2 PRO A 12 3.117 -18.647 -11.109 1.00 23.15 H new ATOM 0 HG3 PRO A 12 2.065 -17.340 -10.601 1.00 23.15 H new ATOM 0 HD2 PRO A 12 1.722 -19.827 -9.610 1.00 32.52 H new ATOM 0 HD3 PRO A 12 0.333 -18.809 -9.936 1.00 32.52 H new ATOM 168 N PHE A 13 2.728 -21.327 -13.031 1.00 55.21 N ATOM 169 CA PHE A 13 3.738 -22.138 -13.711 1.00 54.02 C ATOM 170 C PHE A 13 3.155 -23.477 -14.173 1.00 42.42 C ATOM 171 O PHE A 13 3.893 -24.405 -14.513 1.00 10.34 O ATOM 172 CB PHE A 13 4.967 -22.345 -12.808 1.00 54.21 C ATOM 173 CG PHE A 13 4.646 -22.753 -11.388 1.00 45.45 C ATOM 174 CD1 PHE A 13 4.401 -24.082 -11.062 1.00 71.32 C ATOM 175 CD2 PHE A 13 4.604 -21.802 -10.376 1.00 72.33 C ATOM 176 CE1 PHE A 13 4.121 -24.449 -9.758 1.00 63.22 C ATOM 177 CE2 PHE A 13 4.323 -22.165 -9.074 1.00 73.14 C ATOM 178 CZ PHE A 13 4.083 -23.489 -8.764 1.00 55.23 C ATOM 0 H PHE A 13 2.613 -21.549 -12.042 1.00 55.21 H new ATOM 0 HA PHE A 13 4.061 -21.599 -14.601 1.00 54.02 H new ATOM 0 HB2 PHE A 13 5.605 -23.107 -13.255 1.00 54.21 H new ATOM 0 HB3 PHE A 13 5.543 -21.420 -12.784 1.00 54.21 H new ATOM 0 HD1 PHE A 13 4.430 -24.836 -11.835 1.00 71.32 H new ATOM 0 HD2 PHE A 13 4.794 -20.765 -10.611 1.00 72.33 H new ATOM 0 HE1 PHE A 13 3.932 -25.485 -9.517 1.00 63.22 H new ATOM 0 HE2 PHE A 13 4.291 -21.414 -8.299 1.00 73.14 H new ATOM 0 HZ PHE A 13 3.866 -23.774 -7.745 1.00 55.23 H new ATOM 188 N ASP A 14 1.824 -23.573 -14.183 1.00 61.43 N ATOM 189 CA ASP A 14 1.137 -24.803 -14.593 1.00 1.10 C ATOM 190 C ASP A 14 1.183 -24.983 -16.115 1.00 23.42 C ATOM 191 O ASP A 14 0.669 -25.968 -16.643 1.00 64.53 O ATOM 192 CB ASP A 14 -0.323 -24.804 -14.104 1.00 24.22 C ATOM 193 CG ASP A 14 -1.214 -23.829 -14.864 1.00 25.23 C ATOM 194 OD1 ASP A 14 -0.916 -22.618 -14.866 1.00 35.13 O ATOM 195 OD2 ASP A 14 -2.228 -24.268 -15.450 1.00 35.14 O ATOM 0 H ASP A 14 1.199 -22.814 -13.912 1.00 61.43 H new ATOM 0 HA ASP A 14 1.661 -25.641 -14.133 1.00 1.10 H new ATOM 0 HB2 ASP A 14 -0.731 -25.810 -14.202 1.00 24.22 H new ATOM 0 HB3 ASP A 14 -0.344 -24.553 -13.043 1.00 24.22 H new ATOM 200 N ASP A 15 1.808 -24.035 -16.812 1.00 24.15 N ATOM 201 CA ASP A 15 1.970 -24.117 -18.265 1.00 22.14 C ATOM 202 C ASP A 15 3.234 -24.930 -18.602 1.00 33.41 C ATOM 203 O ASP A 15 3.888 -25.460 -17.701 1.00 21.43 O ATOM 204 CB ASP A 15 2.042 -22.701 -18.864 1.00 33.54 C ATOM 205 CG ASP A 15 1.701 -22.669 -20.348 1.00 71.14 C ATOM 206 OD1 ASP A 15 0.501 -22.579 -20.682 1.00 4.14 O ATOM 207 OD2 ASP A 15 2.624 -22.750 -21.183 1.00 14.35 O ATOM 0 H ASP A 15 2.212 -23.198 -16.393 1.00 24.15 H new ATOM 0 HA ASP A 15 1.111 -24.626 -18.701 1.00 22.14 H new ATOM 0 HB2 ASP A 15 1.356 -22.048 -18.324 1.00 33.54 H new ATOM 0 HB3 ASP A 15 3.045 -22.300 -18.718 1.00 33.54 H new ATOM 212 N GLU A 16 3.581 -25.034 -19.888 1.00 64.42 N ATOM 213 CA GLU A 16 4.721 -25.854 -20.320 1.00 72.15 C ATOM 214 C GLU A 16 5.597 -25.137 -21.332 1.00 0.22 C ATOM 215 O GLU A 16 6.569 -25.691 -21.851 1.00 14.11 O ATOM 216 CB GLU A 16 4.212 -27.135 -20.944 1.00 10.52 C ATOM 217 CG GLU A 16 3.411 -26.945 -22.229 1.00 35.24 C ATOM 218 CD GLU A 16 3.030 -28.269 -22.872 1.00 43.11 C ATOM 219 OE1 GLU A 16 2.046 -28.889 -22.426 1.00 71.15 O ATOM 220 OE2 GLU A 16 3.726 -28.707 -23.816 1.00 60.31 O ATOM 0 H GLU A 16 3.091 -24.562 -20.648 1.00 64.42 H new ATOM 0 HA GLU A 16 5.324 -26.061 -19.436 1.00 72.15 H new ATOM 0 HB2 GLU A 16 5.063 -27.783 -21.155 1.00 10.52 H new ATOM 0 HB3 GLU A 16 3.588 -27.654 -20.217 1.00 10.52 H new ATOM 0 HG2 GLU A 16 2.507 -26.376 -22.010 1.00 35.24 H new ATOM 0 HG3 GLU A 16 3.996 -26.355 -22.935 1.00 35.24 H new ATOM 227 N ASP A 17 5.243 -23.909 -21.591 1.00 22.24 N ATOM 228 CA ASP A 17 5.908 -23.093 -22.618 1.00 3.22 C ATOM 229 C ASP A 17 7.322 -22.694 -22.194 1.00 74.54 C ATOM 230 O ASP A 17 8.147 -22.311 -23.026 1.00 14.22 O ATOM 231 CB ASP A 17 5.083 -21.832 -22.903 1.00 73.41 C ATOM 232 CG ASP A 17 5.598 -21.046 -24.099 1.00 11.32 C ATOM 233 OD1 ASP A 17 5.301 -21.446 -25.246 1.00 74.33 O ATOM 234 OD2 ASP A 17 6.281 -20.017 -23.902 1.00 23.03 O ATOM 0 H ASP A 17 4.486 -23.428 -21.105 1.00 22.24 H new ATOM 0 HA ASP A 17 5.983 -23.698 -23.522 1.00 3.22 H new ATOM 0 HB2 ASP A 17 4.045 -22.115 -23.080 1.00 73.41 H new ATOM 0 HB3 ASP A 17 5.093 -21.191 -22.022 1.00 73.41 H new ATOM 239 N GLY A 18 7.605 -22.798 -20.903 1.00 22.32 N ATOM 240 CA GLY A 18 8.926 -22.460 -20.396 1.00 55.12 C ATOM 241 C GLY A 18 9.566 -23.623 -19.664 1.00 21.01 C ATOM 242 O GLY A 18 8.882 -24.587 -19.309 1.00 22.31 O ATOM 0 H GLY A 18 6.943 -23.111 -20.193 1.00 22.32 H new ATOM 0 HA2 GLY A 18 9.566 -22.156 -21.225 1.00 55.12 H new ATOM 0 HA3 GLY A 18 8.849 -21.606 -19.723 1.00 55.12 H new ATOM 246 N MET A 19 10.877 -23.549 -19.455 1.00 71.05 N ATOM 247 CA MET A 19 11.588 -24.558 -18.674 1.00 33.54 C ATOM 248 C MET A 19 11.523 -24.171 -17.201 1.00 63.41 C ATOM 249 O MET A 19 11.592 -22.983 -16.863 1.00 61.02 O ATOM 250 CB MET A 19 13.050 -24.685 -19.132 1.00 64.03 C ATOM 251 CG MET A 19 13.208 -24.989 -20.618 1.00 15.00 C ATOM 252 SD MET A 19 14.937 -25.131 -21.130 1.00 45.42 S ATOM 253 CE MET A 19 15.459 -26.563 -20.188 1.00 24.42 C ATOM 0 H MET A 19 11.469 -22.801 -19.815 1.00 71.05 H new ATOM 0 HA MET A 19 11.114 -25.528 -18.824 1.00 33.54 H new ATOM 0 HB2 MET A 19 13.574 -23.757 -18.903 1.00 64.03 H new ATOM 0 HB3 MET A 19 13.534 -25.474 -18.556 1.00 64.03 H new ATOM 0 HG2 MET A 19 12.688 -25.919 -20.850 1.00 15.00 H new ATOM 0 HG3 MET A 19 12.727 -24.201 -21.198 1.00 15.00 H new ATOM 0 HE1 MET A 19 16.365 -26.979 -20.630 1.00 24.42 H new ATOM 0 HE2 MET A 19 15.660 -26.268 -19.158 1.00 24.42 H new ATOM 0 HE3 MET A 19 14.670 -27.315 -20.202 1.00 24.42 H new ATOM 263 N PHE A 20 11.380 -25.157 -16.326 1.00 61.25 N ATOM 264 CA PHE A 20 11.197 -24.886 -14.903 1.00 32.04 C ATOM 265 C PHE A 20 12.193 -25.691 -14.073 1.00 71.52 C ATOM 266 O PHE A 20 12.640 -26.756 -14.499 1.00 70.12 O ATOM 267 CB PHE A 20 9.770 -25.249 -14.459 1.00 3.13 C ATOM 268 CG PHE A 20 8.667 -24.812 -15.398 1.00 61.03 C ATOM 269 CD1 PHE A 20 8.525 -23.483 -15.768 1.00 54.41 C ATOM 270 CD2 PHE A 20 7.768 -25.739 -15.907 1.00 44.04 C ATOM 271 CE1 PHE A 20 7.514 -23.088 -16.622 1.00 24.51 C ATOM 272 CE2 PHE A 20 6.756 -25.350 -16.761 1.00 71.41 C ATOM 273 CZ PHE A 20 6.628 -24.022 -17.119 1.00 15.24 C ATOM 0 H PHE A 20 11.387 -26.147 -16.572 1.00 61.25 H new ATOM 0 HA PHE A 20 11.365 -23.821 -14.744 1.00 32.04 H new ATOM 0 HB2 PHE A 20 9.711 -26.330 -14.334 1.00 3.13 H new ATOM 0 HB3 PHE A 20 9.588 -24.805 -13.480 1.00 3.13 H new ATOM 0 HD1 PHE A 20 9.215 -22.747 -15.383 1.00 54.41 H new ATOM 0 HD2 PHE A 20 7.862 -26.779 -15.631 1.00 44.04 H new ATOM 0 HE1 PHE A 20 7.417 -22.049 -16.901 1.00 24.51 H new ATOM 0 HE2 PHE A 20 6.065 -26.083 -17.149 1.00 71.41 H new ATOM 0 HZ PHE A 20 5.836 -23.715 -17.786 1.00 15.24 H new ATOM 283 N PHE A 21 12.543 -25.182 -12.897 1.00 10.12 N ATOM 284 CA PHE A 21 13.343 -25.947 -11.942 1.00 12.01 C ATOM 285 C PHE A 21 12.473 -26.388 -10.774 1.00 31.14 C ATOM 286 O PHE A 21 11.532 -25.689 -10.391 1.00 62.34 O ATOM 287 CB PHE A 21 14.572 -25.162 -11.434 1.00 11.41 C ATOM 288 CG PHE A 21 14.479 -23.667 -11.547 1.00 11.11 C ATOM 289 CD1 PHE A 21 13.961 -22.899 -10.512 1.00 14.31 C ATOM 290 CD2 PHE A 21 14.935 -23.029 -12.687 1.00 12.25 C ATOM 291 CE1 PHE A 21 13.900 -21.523 -10.621 1.00 22.23 C ATOM 292 CE2 PHE A 21 14.874 -21.659 -12.801 1.00 70.43 C ATOM 293 CZ PHE A 21 14.357 -20.902 -11.767 1.00 73.54 C ATOM 0 H PHE A 21 12.287 -24.246 -12.581 1.00 10.12 H new ATOM 0 HA PHE A 21 13.725 -26.823 -12.466 1.00 12.01 H new ATOM 0 HB2 PHE A 21 14.738 -25.420 -10.388 1.00 11.41 H new ATOM 0 HB3 PHE A 21 15.449 -25.497 -11.988 1.00 11.41 H new ATOM 0 HD1 PHE A 21 13.603 -23.381 -9.615 1.00 14.31 H new ATOM 0 HD2 PHE A 21 15.344 -23.614 -13.498 1.00 12.25 H new ATOM 0 HE1 PHE A 21 13.496 -20.934 -9.811 1.00 22.23 H new ATOM 0 HE2 PHE A 21 15.230 -21.175 -13.699 1.00 70.43 H new ATOM 0 HZ PHE A 21 14.310 -19.827 -11.855 1.00 73.54 H new ATOM 303 N VAL A 22 12.784 -27.552 -10.213 1.00 32.43 N ATOM 304 CA VAL A 22 12.021 -28.094 -9.104 1.00 52.22 C ATOM 305 C VAL A 22 12.731 -27.759 -7.797 1.00 31.51 C ATOM 306 O VAL A 22 13.917 -28.078 -7.620 1.00 75.34 O ATOM 307 CB VAL A 22 11.821 -29.632 -9.231 1.00 44.01 C ATOM 308 CG1 VAL A 22 10.976 -30.172 -8.077 1.00 24.52 C ATOM 309 CG2 VAL A 22 11.191 -29.987 -10.580 1.00 1.01 C ATOM 0 H VAL A 22 13.564 -28.137 -10.513 1.00 32.43 H new ATOM 0 HA VAL A 22 11.030 -27.640 -9.117 1.00 52.22 H new ATOM 0 HB VAL A 22 12.802 -30.105 -9.178 1.00 44.01 H new ATOM 0 HG11 VAL A 22 10.852 -31.249 -8.190 1.00 24.52 H new ATOM 0 HG12 VAL A 22 11.475 -29.962 -7.131 1.00 24.52 H new ATOM 0 HG13 VAL A 22 9.998 -29.691 -8.086 1.00 24.52 H new ATOM 0 HG21 VAL A 22 11.060 -31.067 -10.648 1.00 1.01 H new ATOM 0 HG22 VAL A 22 10.221 -29.498 -10.669 1.00 1.01 H new ATOM 0 HG23 VAL A 22 11.843 -29.649 -11.386 1.00 1.01 H new ATOM 319 N LEU A 23 12.011 -27.079 -6.910 1.00 13.42 N ATOM 320 CA LEU A 23 12.547 -26.643 -5.625 1.00 60.42 C ATOM 321 C LEU A 23 11.910 -27.451 -4.498 1.00 65.53 C ATOM 322 O LEU A 23 10.833 -28.032 -4.672 1.00 63.14 O ATOM 323 CB LEU A 23 12.239 -25.154 -5.396 1.00 73.02 C ATOM 324 CG LEU A 23 12.638 -24.198 -6.529 1.00 31.12 C ATOM 325 CD1 LEU A 23 12.173 -22.778 -6.220 1.00 65.11 C ATOM 326 CD2 LEU A 23 14.134 -24.224 -6.767 1.00 32.23 C ATOM 0 H LEU A 23 11.038 -26.814 -7.062 1.00 13.42 H new ATOM 0 HA LEU A 23 13.626 -26.796 -5.632 1.00 60.42 H new ATOM 0 HB2 LEU A 23 11.169 -25.049 -5.220 1.00 73.02 H new ATOM 0 HB3 LEU A 23 12.745 -24.836 -4.485 1.00 73.02 H new ATOM 0 HG LEU A 23 12.146 -24.536 -7.441 1.00 31.12 H new ATOM 0 HD11 LEU A 23 12.465 -22.114 -7.034 1.00 65.11 H new ATOM 0 HD12 LEU A 23 11.088 -22.766 -6.113 1.00 65.11 H new ATOM 0 HD13 LEU A 23 12.633 -22.438 -5.292 1.00 65.11 H new ATOM 0 HD21 LEU A 23 14.386 -23.537 -7.575 1.00 32.23 H new ATOM 0 HD22 LEU A 23 14.652 -23.920 -5.858 1.00 32.23 H new ATOM 0 HD23 LEU A 23 14.442 -25.233 -7.040 1.00 32.23 H new ATOM 338 N ILE A 24 12.562 -27.468 -3.343 1.00 4.03 N ATOM 339 CA ILE A 24 11.988 -28.071 -2.151 1.00 14.44 C ATOM 340 C ILE A 24 12.200 -27.147 -0.953 1.00 20.22 C ATOM 341 O ILE A 24 13.310 -26.660 -0.711 1.00 63.42 O ATOM 342 CB ILE A 24 12.578 -29.482 -1.852 1.00 41.31 C ATOM 343 CG1 ILE A 24 11.718 -30.222 -0.818 1.00 51.34 C ATOM 344 CG2 ILE A 24 14.020 -29.395 -1.360 1.00 63.03 C ATOM 345 CD1 ILE A 24 12.246 -31.598 -0.465 1.00 72.04 C ATOM 0 H ILE A 24 13.491 -27.070 -3.208 1.00 4.03 H new ATOM 0 HA ILE A 24 10.922 -28.204 -2.334 1.00 14.44 H new ATOM 0 HB ILE A 24 12.571 -30.041 -2.788 1.00 41.31 H new ATOM 0 HG12 ILE A 24 11.658 -29.621 0.089 1.00 51.34 H new ATOM 0 HG13 ILE A 24 10.703 -30.319 -1.204 1.00 51.34 H new ATOM 0 HG21 ILE A 24 14.398 -30.398 -1.162 1.00 63.03 H new ATOM 0 HG22 ILE A 24 14.637 -28.919 -2.123 1.00 63.03 H new ATOM 0 HG23 ILE A 24 14.057 -28.806 -0.444 1.00 63.03 H new ATOM 0 HD11 ILE A 24 11.589 -32.062 0.270 1.00 72.04 H new ATOM 0 HD12 ILE A 24 12.280 -32.216 -1.362 1.00 72.04 H new ATOM 0 HD13 ILE A 24 13.249 -31.507 -0.049 1.00 72.04 H new ATOM 357 N ASN A 25 11.121 -26.867 -0.241 1.00 75.55 N ATOM 358 CA ASN A 25 11.195 -26.110 0.999 1.00 14.42 C ATOM 359 C ASN A 25 11.700 -27.037 2.083 1.00 33.01 C ATOM 360 O ASN A 25 11.377 -28.232 2.060 1.00 70.04 O ATOM 361 CB ASN A 25 9.816 -25.580 1.395 1.00 41.24 C ATOM 362 CG ASN A 25 9.864 -24.410 2.361 1.00 20.01 C ATOM 363 OD1 ASN A 25 10.840 -24.204 3.085 1.00 54.42 O ATOM 364 ND2 ASN A 25 8.781 -23.658 2.398 1.00 44.54 N ATOM 0 H ASN A 25 10.178 -27.154 -0.502 1.00 75.55 H new ATOM 0 HA ASN A 25 11.864 -25.260 0.866 1.00 14.42 H new ATOM 0 HB2 ASN A 25 9.282 -25.275 0.495 1.00 41.24 H new ATOM 0 HB3 ASN A 25 9.242 -26.389 1.847 1.00 41.24 H new ATOM 0 HD21 ASN A 25 8.729 -22.870 3.044 1.00 44.54 H new ATOM 0 HD22 ASN A 25 7.996 -23.864 1.781 1.00 44.54 H new ATOM 371 N ASP A 26 12.437 -26.483 3.041 1.00 0.51 N ATOM 372 CA ASP A 26 13.110 -27.278 4.075 1.00 41.45 C ATOM 373 C ASP A 26 12.107 -28.182 4.794 1.00 23.42 C ATOM 374 O ASP A 26 12.457 -29.253 5.293 1.00 60.33 O ATOM 375 CB ASP A 26 13.824 -26.359 5.077 1.00 15.32 C ATOM 376 CG ASP A 26 14.908 -27.082 5.867 1.00 11.14 C ATOM 377 OD1 ASP A 26 14.602 -27.668 6.926 1.00 61.30 O ATOM 378 OD2 ASP A 26 16.081 -27.063 5.425 1.00 61.45 O ATOM 0 H ASP A 26 12.587 -25.478 3.127 1.00 0.51 H new ATOM 0 HA ASP A 26 13.857 -27.910 3.594 1.00 41.45 H new ATOM 0 HB2 ASP A 26 14.268 -25.520 4.542 1.00 15.32 H new ATOM 0 HB3 ASP A 26 13.091 -25.944 5.769 1.00 15.32 H new ATOM 383 N GLU A 27 10.848 -27.751 4.794 1.00 22.54 N ATOM 384 CA GLU A 27 9.726 -28.547 5.296 1.00 61.02 C ATOM 385 C GLU A 27 9.385 -29.701 4.334 1.00 61.13 C ATOM 386 O GLU A 27 8.278 -30.238 4.371 1.00 71.33 O ATOM 387 CB GLU A 27 8.496 -27.639 5.498 1.00 25.02 C ATOM 388 CG GLU A 27 8.644 -26.600 6.615 1.00 4.32 C ATOM 389 CD GLU A 27 9.574 -25.445 6.264 1.00 34.53 C ATOM 390 OE1 GLU A 27 9.091 -24.435 5.714 1.00 24.01 O ATOM 391 OE2 GLU A 27 10.787 -25.534 6.548 1.00 73.21 O ATOM 0 H GLU A 27 10.574 -26.833 4.444 1.00 22.54 H new ATOM 0 HA GLU A 27 10.015 -28.985 6.251 1.00 61.02 H new ATOM 0 HB2 GLU A 27 8.287 -27.120 4.563 1.00 25.02 H new ATOM 0 HB3 GLU A 27 7.631 -28.265 5.715 1.00 25.02 H new ATOM 0 HG2 GLU A 27 7.660 -26.200 6.859 1.00 4.32 H new ATOM 0 HG3 GLU A 27 9.018 -27.095 7.511 1.00 4.32 H new ATOM 398 N GLU A 28 10.350 -30.081 3.487 1.00 74.33 N ATOM 399 CA GLU A 28 10.183 -31.159 2.511 1.00 5.20 C ATOM 400 C GLU A 28 9.064 -30.828 1.525 1.00 42.14 C ATOM 401 O GLU A 28 8.430 -31.721 0.961 1.00 30.30 O ATOM 402 CB GLU A 28 9.906 -32.497 3.210 1.00 11.13 C ATOM 403 CG GLU A 28 11.023 -32.956 4.137 1.00 44.12 C ATOM 404 CD GLU A 28 10.791 -34.355 4.687 1.00 45.01 C ATOM 405 OE1 GLU A 28 9.924 -34.517 5.571 1.00 15.51 O ATOM 406 OE2 GLU A 28 11.476 -35.305 4.236 1.00 33.23 O ATOM 0 H GLU A 28 11.272 -29.646 3.461 1.00 74.33 H new ATOM 0 HA GLU A 28 11.115 -31.254 1.954 1.00 5.20 H new ATOM 0 HB2 GLU A 28 8.984 -32.411 3.785 1.00 11.13 H new ATOM 0 HB3 GLU A 28 9.739 -33.263 2.453 1.00 11.13 H new ATOM 0 HG2 GLU A 28 11.970 -32.935 3.597 1.00 44.12 H new ATOM 0 HG3 GLU A 28 11.113 -32.254 4.966 1.00 44.12 H new ATOM 413 N GLN A 29 8.855 -29.537 1.279 1.00 64.21 N ATOM 414 CA GLN A 29 7.734 -29.105 0.433 1.00 51.25 C ATOM 415 C GLN A 29 8.159 -29.034 -1.031 1.00 33.51 C ATOM 416 O GLN A 29 9.111 -28.339 -1.373 1.00 74.21 O ATOM 417 CB GLN A 29 7.186 -27.748 0.884 1.00 71.23 C ATOM 418 CG GLN A 29 6.745 -27.705 2.344 1.00 15.21 C ATOM 419 CD GLN A 29 6.213 -26.341 2.747 1.00 15.23 C ATOM 420 OE1 GLN A 29 6.609 -25.320 2.182 1.00 50.34 O ATOM 421 NE2 GLN A 29 5.330 -26.307 3.736 1.00 41.25 N ATOM 0 H GLN A 29 9.433 -28.780 1.644 1.00 64.21 H new ATOM 0 HA GLN A 29 6.941 -29.846 0.536 1.00 51.25 H new ATOM 0 HB2 GLN A 29 7.952 -26.989 0.725 1.00 71.23 H new ATOM 0 HB3 GLN A 29 6.338 -27.483 0.252 1.00 71.23 H new ATOM 0 HG2 GLN A 29 5.973 -28.457 2.510 1.00 15.21 H new ATOM 0 HG3 GLN A 29 7.588 -27.967 2.983 1.00 15.21 H new ATOM 0 HE21 GLN A 29 5.027 -27.174 4.179 1.00 41.25 H new ATOM 0 HE22 GLN A 29 4.954 -25.414 4.054 1.00 41.25 H new ATOM 430 N HIS A 30 7.433 -29.729 -1.898 1.00 71.42 N ATOM 431 CA HIS A 30 7.773 -29.784 -3.320 1.00 42.33 C ATOM 432 C HIS A 30 7.191 -28.574 -4.049 1.00 72.03 C ATOM 433 O HIS A 30 6.083 -28.128 -3.736 1.00 21.01 O ATOM 434 CB HIS A 30 7.252 -31.092 -3.949 1.00 50.11 C ATOM 435 CG HIS A 30 5.761 -31.267 -3.844 1.00 63.33 C ATOM 436 ND1 HIS A 30 5.160 -32.064 -2.893 1.00 62.20 N ATOM 437 CD2 HIS A 30 4.748 -30.725 -4.565 1.00 60.32 C ATOM 438 CE1 HIS A 30 3.846 -31.995 -3.031 1.00 74.33 C ATOM 439 NE2 HIS A 30 3.569 -31.190 -4.038 1.00 40.22 N ATOM 0 H HIS A 30 6.603 -30.264 -1.644 1.00 71.42 H new ATOM 0 HA HIS A 30 8.858 -29.763 -3.419 1.00 42.33 H new ATOM 0 HB2 HIS A 30 7.538 -31.117 -5.001 1.00 50.11 H new ATOM 0 HB3 HIS A 30 7.742 -31.937 -3.465 1.00 50.11 H new ATOM 0 HD1 HIS A 30 5.651 -32.620 -2.193 1.00 62.20 H new ATOM 0 HD2 HIS A 30 4.850 -30.050 -5.402 1.00 60.32 H new ATOM 0 HE1 HIS A 30 3.121 -32.512 -2.420 1.00 74.33 H new ATOM 448 N SER A 31 7.936 -28.037 -5.008 1.00 35.33 N ATOM 449 CA SER A 31 7.480 -26.882 -5.772 1.00 44.32 C ATOM 450 C SER A 31 8.154 -26.826 -7.140 1.00 41.34 C ATOM 451 O SER A 31 9.181 -27.471 -7.370 1.00 42.53 O ATOM 452 CB SER A 31 7.766 -25.594 -4.991 1.00 53.22 C ATOM 453 OG SER A 31 9.129 -25.531 -4.610 1.00 51.33 O ATOM 0 H SER A 31 8.858 -28.383 -5.275 1.00 35.33 H new ATOM 0 HA SER A 31 6.406 -26.979 -5.928 1.00 44.32 H new ATOM 0 HB2 SER A 31 7.514 -24.728 -5.603 1.00 53.22 H new ATOM 0 HB3 SER A 31 7.133 -25.552 -4.104 1.00 53.22 H new ATOM 0 HG SER A 31 9.192 -25.353 -3.648 1.00 51.33 H new ATOM 459 N LEU A 32 7.564 -26.045 -8.037 1.00 3.13 N ATOM 460 CA LEU A 32 8.091 -25.845 -9.378 1.00 2.12 C ATOM 461 C LEU A 32 8.184 -24.345 -9.647 1.00 23.13 C ATOM 462 O LEU A 32 7.220 -23.618 -9.417 1.00 0.03 O ATOM 463 CB LEU A 32 7.173 -26.526 -10.407 1.00 20.23 C ATOM 464 CG LEU A 32 7.715 -26.588 -11.840 1.00 74.50 C ATOM 465 CD1 LEU A 32 9.013 -27.390 -11.883 1.00 31.30 C ATOM 466 CD2 LEU A 32 6.672 -27.185 -12.790 1.00 54.31 C ATOM 0 H LEU A 32 6.703 -25.531 -7.852 1.00 3.13 H new ATOM 0 HA LEU A 32 9.083 -26.289 -9.463 1.00 2.12 H new ATOM 0 HB2 LEU A 32 6.971 -27.543 -10.070 1.00 20.23 H new ATOM 0 HB3 LEU A 32 6.219 -25.999 -10.421 1.00 20.23 H new ATOM 0 HG LEU A 32 7.929 -25.572 -12.172 1.00 74.50 H new ATOM 0 HD11 LEU A 32 9.385 -27.425 -12.907 1.00 31.30 H new ATOM 0 HD12 LEU A 32 9.756 -26.914 -11.243 1.00 31.30 H new ATOM 0 HD13 LEU A 32 8.826 -28.404 -11.530 1.00 31.30 H new ATOM 0 HD21 LEU A 32 7.078 -27.219 -13.801 1.00 54.31 H new ATOM 0 HD22 LEU A 32 6.420 -28.195 -12.466 1.00 54.31 H new ATOM 0 HD23 LEU A 32 5.775 -26.566 -12.780 1.00 54.31 H new ATOM 478 N TRP A 33 9.335 -23.883 -10.113 1.00 3.12 N ATOM 479 CA TRP A 33 9.579 -22.449 -10.259 1.00 32.24 C ATOM 480 C TRP A 33 10.111 -22.142 -11.663 1.00 54.31 C ATOM 481 O TRP A 33 10.975 -22.862 -12.171 1.00 25.10 O ATOM 482 CB TRP A 33 10.580 -21.997 -9.185 1.00 63.34 C ATOM 483 CG TRP A 33 10.425 -20.566 -8.751 1.00 1.25 C ATOM 484 CD1 TRP A 33 11.343 -19.563 -8.869 1.00 61.25 C ATOM 485 CD2 TRP A 33 9.280 -19.987 -8.114 1.00 60.41 C ATOM 486 NE1 TRP A 33 10.840 -18.399 -8.339 1.00 2.11 N ATOM 487 CE2 TRP A 33 9.575 -18.632 -7.874 1.00 44.30 C ATOM 488 CE3 TRP A 33 8.034 -20.482 -7.724 1.00 13.51 C ATOM 489 CZ2 TRP A 33 8.670 -17.767 -7.262 1.00 54.44 C ATOM 490 CZ3 TRP A 33 7.134 -19.624 -7.116 1.00 3.41 C ATOM 491 CH2 TRP A 33 7.457 -18.279 -6.891 1.00 1.12 C ATOM 0 H TRP A 33 10.115 -24.476 -10.397 1.00 3.12 H new ATOM 0 HA TRP A 33 8.645 -21.903 -10.127 1.00 32.24 H new ATOM 0 HB2 TRP A 33 10.473 -22.642 -8.313 1.00 63.34 H new ATOM 0 HB3 TRP A 33 11.591 -22.141 -9.565 1.00 63.34 H new ATOM 0 HD1 TRP A 33 12.321 -19.669 -9.314 1.00 61.25 H new ATOM 0 HE1 TRP A 33 11.331 -17.506 -8.299 1.00 2.11 H new ATOM 0 HE3 TRP A 33 7.777 -21.517 -7.894 1.00 13.51 H new ATOM 0 HZ2 TRP A 33 8.917 -16.730 -7.087 1.00 54.44 H new ATOM 0 HZ3 TRP A 33 6.168 -19.997 -6.810 1.00 3.41 H new ATOM 0 HH2 TRP A 33 6.734 -17.634 -6.415 1.00 1.12 H new ATOM 502 N PRO A 34 9.592 -21.084 -12.319 1.00 25.13 N ATOM 503 CA PRO A 34 9.991 -20.725 -13.683 1.00 42.25 C ATOM 504 C PRO A 34 11.322 -19.977 -13.742 1.00 14.23 C ATOM 505 O PRO A 34 11.691 -19.260 -12.811 1.00 50.31 O ATOM 506 CB PRO A 34 8.840 -19.829 -14.147 1.00 31.40 C ATOM 507 CG PRO A 34 8.399 -19.144 -12.899 1.00 22.21 C ATOM 508 CD PRO A 34 8.567 -20.156 -11.789 1.00 51.42 C ATOM 0 HA PRO A 34 10.153 -21.604 -14.307 1.00 42.25 H new ATOM 0 HB2 PRO A 34 9.168 -19.114 -14.901 1.00 31.40 H new ATOM 0 HB3 PRO A 34 8.033 -20.412 -14.590 1.00 31.40 H new ATOM 0 HG2 PRO A 34 8.998 -18.254 -12.710 1.00 22.21 H new ATOM 0 HG3 PRO A 34 7.362 -18.819 -12.978 1.00 22.21 H new ATOM 0 HD2 PRO A 34 8.893 -19.684 -10.862 1.00 51.42 H new ATOM 0 HD3 PRO A 34 7.632 -20.672 -11.572 1.00 51.42 H new ATOM 516 N THR A 35 12.013 -20.133 -14.867 1.00 20.31 N ATOM 517 CA THR A 35 13.328 -19.536 -15.087 1.00 14.53 C ATOM 518 C THR A 35 13.294 -18.010 -14.972 1.00 24.53 C ATOM 519 O THR A 35 14.277 -17.384 -14.570 1.00 70.21 O ATOM 520 CB THR A 35 13.856 -19.930 -16.481 1.00 2.34 C ATOM 521 OG1 THR A 35 12.810 -19.754 -17.448 1.00 13.41 O ATOM 522 CG2 THR A 35 14.336 -21.377 -16.504 1.00 20.12 C ATOM 0 H THR A 35 11.675 -20.681 -15.658 1.00 20.31 H new ATOM 0 HA THR A 35 13.992 -19.917 -14.311 1.00 14.53 H new ATOM 0 HB THR A 35 14.704 -19.290 -16.723 1.00 2.34 H new ATOM 0 HG1 THR A 35 13.141 -20.002 -18.337 1.00 13.41 H new ATOM 0 HG21 THR A 35 14.702 -21.623 -17.501 1.00 20.12 H new ATOM 0 HG22 THR A 35 15.141 -21.505 -15.780 1.00 20.12 H new ATOM 0 HG23 THR A 35 13.509 -22.039 -16.247 1.00 20.12 H new ATOM 530 N PHE A 36 12.155 -17.429 -15.324 1.00 54.32 N ATOM 531 CA PHE A 36 11.978 -15.979 -15.296 1.00 23.33 C ATOM 532 C PHE A 36 11.993 -15.451 -13.861 1.00 20.31 C ATOM 533 O PHE A 36 12.332 -14.288 -13.616 1.00 11.01 O ATOM 534 CB PHE A 36 10.658 -15.606 -15.981 1.00 71.31 C ATOM 535 CG PHE A 36 10.510 -16.200 -17.363 1.00 0.31 C ATOM 536 CD1 PHE A 36 11.231 -15.691 -18.433 1.00 21.12 C ATOM 537 CD2 PHE A 36 9.651 -17.270 -17.587 1.00 72.31 C ATOM 538 CE1 PHE A 36 11.097 -16.233 -19.697 1.00 35.02 C ATOM 539 CE2 PHE A 36 9.514 -17.815 -18.850 1.00 4.13 C ATOM 540 CZ PHE A 36 10.238 -17.295 -19.907 1.00 61.34 C ATOM 0 H PHE A 36 11.331 -17.943 -15.635 1.00 54.32 H new ATOM 0 HA PHE A 36 12.808 -15.520 -15.833 1.00 23.33 H new ATOM 0 HB2 PHE A 36 9.827 -15.940 -15.359 1.00 71.31 H new ATOM 0 HB3 PHE A 36 10.587 -14.521 -16.051 1.00 71.31 H new ATOM 0 HD1 PHE A 36 11.905 -14.862 -18.276 1.00 21.12 H new ATOM 0 HD2 PHE A 36 9.084 -17.680 -16.764 1.00 72.31 H new ATOM 0 HE1 PHE A 36 11.664 -15.826 -20.521 1.00 35.02 H new ATOM 0 HE2 PHE A 36 8.843 -18.646 -19.011 1.00 4.13 H new ATOM 0 HZ PHE A 36 10.132 -17.718 -20.895 1.00 61.34 H new ATOM 550 N ALA A 37 11.637 -16.314 -12.916 1.00 31.31 N ATOM 551 CA ALA A 37 11.572 -15.936 -11.511 1.00 2.32 C ATOM 552 C ALA A 37 12.813 -16.421 -10.767 1.00 65.11 C ATOM 553 O ALA A 37 13.393 -17.452 -11.112 1.00 71.31 O ATOM 554 CB ALA A 37 10.307 -16.498 -10.873 1.00 32.12 C ATOM 0 H ALA A 37 11.388 -17.286 -13.100 1.00 31.31 H new ATOM 0 HA ALA A 37 11.540 -14.849 -11.444 1.00 2.32 H new ATOM 0 HB1 ALA A 37 10.270 -16.209 -9.823 1.00 32.12 H new ATOM 0 HB2 ALA A 37 9.432 -16.103 -11.390 1.00 32.12 H new ATOM 0 HB3 ALA A 37 10.313 -17.585 -10.950 1.00 32.12 H new ATOM 560 N ASP A 38 13.228 -15.664 -9.759 1.00 62.40 N ATOM 561 CA ASP A 38 14.381 -16.030 -8.940 1.00 71.51 C ATOM 562 C ASP A 38 13.952 -16.934 -7.790 1.00 32.04 C ATOM 563 O ASP A 38 12.826 -16.832 -7.298 1.00 55.21 O ATOM 564 CB ASP A 38 15.087 -14.779 -8.393 1.00 73.44 C ATOM 565 CG ASP A 38 15.854 -14.020 -9.467 1.00 11.53 C ATOM 566 OD1 ASP A 38 15.270 -13.125 -10.112 1.00 12.15 O ATOM 567 OD2 ASP A 38 17.052 -14.310 -9.664 1.00 71.03 O ATOM 0 H ASP A 38 12.782 -14.788 -9.487 1.00 62.40 H new ATOM 0 HA ASP A 38 15.084 -16.572 -9.572 1.00 71.51 H new ATOM 0 HB2 ASP A 38 14.347 -14.116 -7.944 1.00 73.44 H new ATOM 0 HB3 ASP A 38 15.775 -15.073 -7.600 1.00 73.44 H new ATOM 572 N VAL A 39 14.857 -17.814 -7.370 1.00 54.22 N ATOM 573 CA VAL A 39 14.578 -18.773 -6.303 1.00 43.22 C ATOM 574 C VAL A 39 14.389 -18.057 -4.959 1.00 15.13 C ATOM 575 O VAL A 39 15.283 -17.342 -4.503 1.00 15.20 O ATOM 576 CB VAL A 39 15.718 -19.816 -6.179 1.00 24.11 C ATOM 577 CG1 VAL A 39 15.404 -20.841 -5.091 1.00 4.21 C ATOM 578 CG2 VAL A 39 15.965 -20.506 -7.522 1.00 12.12 C ATOM 0 H VAL A 39 15.799 -17.883 -7.756 1.00 54.22 H new ATOM 0 HA VAL A 39 13.654 -19.290 -6.563 1.00 43.22 H new ATOM 0 HB VAL A 39 16.629 -19.291 -5.892 1.00 24.11 H new ATOM 0 HG11 VAL A 39 16.219 -21.562 -5.024 1.00 4.21 H new ATOM 0 HG12 VAL A 39 15.290 -20.332 -4.134 1.00 4.21 H new ATOM 0 HG13 VAL A 39 14.479 -21.362 -5.338 1.00 4.21 H new ATOM 0 HG21 VAL A 39 16.769 -21.234 -7.414 1.00 12.12 H new ATOM 0 HG22 VAL A 39 15.055 -21.014 -7.843 1.00 12.12 H new ATOM 0 HG23 VAL A 39 16.247 -19.762 -8.267 1.00 12.12 H new ATOM 588 N PRO A 40 13.217 -18.231 -4.316 1.00 15.15 N ATOM 589 CA PRO A 40 12.923 -17.604 -3.021 1.00 14.42 C ATOM 590 C PRO A 40 13.706 -18.247 -1.865 1.00 75.04 C ATOM 591 O PRO A 40 13.742 -19.476 -1.726 1.00 54.23 O ATOM 592 CB PRO A 40 11.413 -17.824 -2.853 1.00 2.52 C ATOM 593 CG PRO A 40 11.113 -19.049 -3.653 1.00 3.34 C ATOM 594 CD PRO A 40 12.085 -19.048 -4.806 1.00 13.40 C ATOM 0 HA PRO A 40 13.214 -16.554 -2.999 1.00 14.42 H new ATOM 0 HB2 PRO A 40 11.148 -17.962 -1.805 1.00 2.52 H new ATOM 0 HB3 PRO A 40 10.846 -16.967 -3.215 1.00 2.52 H new ATOM 0 HG2 PRO A 40 11.229 -19.948 -3.047 1.00 3.34 H new ATOM 0 HG3 PRO A 40 10.084 -19.037 -4.012 1.00 3.34 H new ATOM 0 HD2 PRO A 40 12.403 -20.059 -5.061 1.00 13.40 H new ATOM 0 HD3 PRO A 40 11.640 -18.617 -5.703 1.00 13.40 H new ATOM 602 N ALA A 41 14.326 -17.403 -1.041 1.00 33.41 N ATOM 603 CA ALA A 41 15.115 -17.863 0.100 1.00 52.11 C ATOM 604 C ALA A 41 14.294 -18.781 1.006 1.00 43.14 C ATOM 605 O ALA A 41 13.187 -18.431 1.429 1.00 23.12 O ATOM 606 CB ALA A 41 15.644 -16.672 0.889 1.00 52.40 C ATOM 0 H ALA A 41 14.296 -16.389 -1.145 1.00 33.41 H new ATOM 0 HA ALA A 41 15.959 -18.437 -0.282 1.00 52.11 H new ATOM 0 HB1 ALA A 41 16.230 -17.028 1.736 1.00 52.40 H new ATOM 0 HB2 ALA A 41 16.274 -16.059 0.244 1.00 52.40 H new ATOM 0 HB3 ALA A 41 14.807 -16.075 1.252 1.00 52.40 H new ATOM 612 N GLY A 42 14.850 -19.949 1.305 1.00 10.21 N ATOM 613 CA GLY A 42 14.147 -20.947 2.094 1.00 25.41 C ATOM 614 C GLY A 42 13.763 -22.139 1.243 1.00 61.12 C ATOM 615 O GLY A 42 13.558 -23.244 1.753 1.00 34.40 O ATOM 0 H GLY A 42 15.787 -20.226 1.012 1.00 10.21 H new ATOM 0 HA2 GLY A 42 14.779 -21.274 2.920 1.00 25.41 H new ATOM 0 HA3 GLY A 42 13.252 -20.505 2.532 1.00 25.41 H new ATOM 619 N TRP A 43 13.665 -21.906 -0.063 1.00 42.44 N ATOM 620 CA TRP A 43 13.408 -22.970 -1.024 1.00 35.33 C ATOM 621 C TRP A 43 14.711 -23.310 -1.744 1.00 5.14 C ATOM 622 O TRP A 43 15.339 -22.435 -2.340 1.00 44.43 O ATOM 623 CB TRP A 43 12.334 -22.533 -2.034 1.00 0.31 C ATOM 624 CG TRP A 43 11.018 -22.168 -1.399 1.00 11.10 C ATOM 625 CD1 TRP A 43 10.719 -21.011 -0.733 1.00 10.04 C ATOM 626 CD2 TRP A 43 9.824 -22.962 -1.373 1.00 4.32 C ATOM 627 NE1 TRP A 43 9.415 -21.039 -0.297 1.00 32.12 N ATOM 628 CE2 TRP A 43 8.847 -22.224 -0.677 1.00 30.42 C ATOM 629 CE3 TRP A 43 9.488 -24.222 -1.871 1.00 65.54 C ATOM 630 CZ2 TRP A 43 7.556 -22.708 -0.468 1.00 31.21 C ATOM 631 CZ3 TRP A 43 8.207 -24.701 -1.661 1.00 1.13 C ATOM 632 CH2 TRP A 43 7.255 -23.946 -0.967 1.00 1.41 C ATOM 0 H TRP A 43 13.761 -20.981 -0.481 1.00 42.44 H new ATOM 0 HA TRP A 43 13.039 -23.853 -0.502 1.00 35.33 H new ATOM 0 HB2 TRP A 43 12.705 -21.677 -2.598 1.00 0.31 H new ATOM 0 HB3 TRP A 43 12.171 -23.339 -2.749 1.00 0.31 H new ATOM 0 HD1 TRP A 43 11.407 -20.194 -0.573 1.00 10.04 H new ATOM 0 HE1 TRP A 43 8.948 -20.297 0.225 1.00 32.12 H new ATOM 0 HE3 TRP A 43 10.214 -24.812 -2.410 1.00 65.54 H new ATOM 0 HZ2 TRP A 43 6.820 -22.127 0.068 1.00 31.21 H new ATOM 0 HZ3 TRP A 43 7.937 -25.676 -2.040 1.00 1.13 H new ATOM 0 HH2 TRP A 43 6.263 -24.348 -0.822 1.00 1.41 H new ATOM 643 N ARG A 44 15.135 -24.566 -1.668 1.00 11.32 N ATOM 644 CA ARG A 44 16.392 -24.990 -2.286 1.00 5.43 C ATOM 645 C ARG A 44 16.115 -25.698 -3.609 1.00 3.31 C ATOM 646 O ARG A 44 15.117 -26.408 -3.741 1.00 13.14 O ATOM 647 CB ARG A 44 17.175 -25.914 -1.336 1.00 25.21 C ATOM 648 CG ARG A 44 16.548 -27.293 -1.155 1.00 12.21 C ATOM 649 CD ARG A 44 17.353 -28.176 -0.206 1.00 42.25 C ATOM 650 NE ARG A 44 17.287 -27.714 1.185 1.00 33.10 N ATOM 651 CZ ARG A 44 18.129 -28.114 2.140 1.00 75.23 C ATOM 652 NH1 ARG A 44 19.127 -28.941 1.848 1.00 51.22 N ATOM 653 NH2 ARG A 44 17.970 -27.699 3.393 1.00 70.20 N ATOM 0 H ARG A 44 14.630 -25.310 -1.186 1.00 11.32 H new ATOM 0 HA ARG A 44 16.999 -24.106 -2.483 1.00 5.43 H new ATOM 0 HB2 ARG A 44 18.189 -26.034 -1.717 1.00 25.21 H new ATOM 0 HB3 ARG A 44 17.256 -25.432 -0.362 1.00 25.21 H new ATOM 0 HG2 ARG A 44 15.534 -27.181 -0.771 1.00 12.21 H new ATOM 0 HG3 ARG A 44 16.469 -27.784 -2.125 1.00 12.21 H new ATOM 0 HD2 ARG A 44 16.981 -29.199 -0.264 1.00 42.25 H new ATOM 0 HD3 ARG A 44 18.394 -28.197 -0.529 1.00 42.25 H new ATOM 0 HE ARG A 44 16.556 -27.049 1.437 1.00 33.10 H new ATOM 0 HH11 ARG A 44 19.252 -29.272 0.891 1.00 51.22 H new ATOM 0 HH12 ARG A 44 19.769 -29.245 2.580 1.00 51.22 H new ATOM 0 HH21 ARG A 44 17.201 -27.071 3.629 1.00 70.20 H new ATOM 0 HH22 ARG A 44 18.617 -28.008 4.119 1.00 70.20 H new ATOM 667 N VAL A 45 16.989 -25.491 -4.585 1.00 33.52 N ATOM 668 CA VAL A 45 16.847 -26.124 -5.891 1.00 3.11 C ATOM 669 C VAL A 45 17.243 -27.597 -5.813 1.00 0.20 C ATOM 670 O VAL A 45 18.352 -27.920 -5.388 1.00 14.01 O ATOM 671 CB VAL A 45 17.726 -25.431 -6.961 1.00 42.52 C ATOM 672 CG1 VAL A 45 17.460 -26.032 -8.342 1.00 31.31 C ATOM 673 CG2 VAL A 45 17.494 -23.921 -6.972 1.00 40.23 C ATOM 0 H VAL A 45 17.807 -24.888 -4.497 1.00 33.52 H new ATOM 0 HA VAL A 45 15.800 -26.030 -6.181 1.00 3.11 H new ATOM 0 HB VAL A 45 18.771 -25.604 -6.705 1.00 42.52 H new ATOM 0 HG11 VAL A 45 18.086 -25.534 -9.082 1.00 31.31 H new ATOM 0 HG12 VAL A 45 17.694 -27.097 -8.327 1.00 31.31 H new ATOM 0 HG13 VAL A 45 16.411 -25.895 -8.603 1.00 31.31 H new ATOM 0 HG21 VAL A 45 18.125 -23.462 -7.733 1.00 40.23 H new ATOM 0 HG22 VAL A 45 16.447 -23.715 -7.196 1.00 40.23 H new ATOM 0 HG23 VAL A 45 17.744 -23.507 -5.995 1.00 40.23 H new ATOM 683 N VAL A 46 16.333 -28.481 -6.205 1.00 33.24 N ATOM 684 CA VAL A 46 16.620 -29.913 -6.245 1.00 13.35 C ATOM 685 C VAL A 46 16.899 -30.338 -7.680 1.00 21.32 C ATOM 686 O VAL A 46 17.729 -31.214 -7.937 1.00 22.43 O ATOM 687 CB VAL A 46 15.447 -30.757 -5.675 1.00 43.02 C ATOM 688 CG1 VAL A 46 14.881 -30.097 -4.434 1.00 54.42 C ATOM 689 CG2 VAL A 46 14.345 -30.986 -6.705 1.00 11.10 C ATOM 0 H VAL A 46 15.389 -28.233 -6.500 1.00 33.24 H new ATOM 0 HA VAL A 46 17.495 -30.093 -5.620 1.00 13.35 H new ATOM 0 HB VAL A 46 15.849 -31.735 -5.412 1.00 43.02 H new ATOM 0 HG11 VAL A 46 14.060 -30.698 -4.044 1.00 54.42 H new ATOM 0 HG12 VAL A 46 15.661 -30.015 -3.677 1.00 54.42 H new ATOM 0 HG13 VAL A 46 14.514 -29.102 -4.686 1.00 54.42 H new ATOM 0 HG21 VAL A 46 13.548 -31.581 -6.259 1.00 11.10 H new ATOM 0 HG22 VAL A 46 13.944 -30.025 -7.028 1.00 11.10 H new ATOM 0 HG23 VAL A 46 14.755 -31.516 -7.565 1.00 11.10 H new ATOM 699 N PHE A 47 16.199 -29.695 -8.608 1.00 63.21 N ATOM 700 CA PHE A 47 16.314 -30.002 -10.026 1.00 72.55 C ATOM 701 C PHE A 47 16.416 -28.694 -10.796 1.00 11.21 C ATOM 702 O PHE A 47 15.519 -27.861 -10.704 1.00 10.30 O ATOM 703 CB PHE A 47 15.084 -30.811 -10.482 1.00 21.25 C ATOM 704 CG PHE A 47 15.260 -31.606 -11.757 1.00 31.24 C ATOM 705 CD1 PHE A 47 16.201 -31.250 -12.717 1.00 33.42 C ATOM 706 CD2 PHE A 47 14.470 -32.726 -11.989 1.00 35.11 C ATOM 707 CE1 PHE A 47 16.347 -31.992 -13.873 1.00 40.53 C ATOM 708 CE2 PHE A 47 14.615 -33.468 -13.143 1.00 61.52 C ATOM 709 CZ PHE A 47 15.552 -33.101 -14.087 1.00 51.14 C ATOM 0 H PHE A 47 15.537 -28.948 -8.397 1.00 63.21 H new ATOM 0 HA PHE A 47 17.204 -30.602 -10.215 1.00 72.55 H new ATOM 0 HB2 PHE A 47 14.806 -31.498 -9.682 1.00 21.25 H new ATOM 0 HB3 PHE A 47 14.249 -30.124 -10.616 1.00 21.25 H new ATOM 0 HD1 PHE A 47 16.825 -30.383 -12.557 1.00 33.42 H new ATOM 0 HD2 PHE A 47 13.733 -33.019 -11.256 1.00 35.11 H new ATOM 0 HE1 PHE A 47 17.083 -31.705 -14.610 1.00 40.53 H new ATOM 0 HE2 PHE A 47 13.995 -34.337 -13.308 1.00 61.52 H new ATOM 0 HZ PHE A 47 15.664 -33.680 -14.992 1.00 51.14 H new ATOM 719 N GLY A 48 17.513 -28.512 -11.522 1.00 65.51 N ATOM 720 CA GLY A 48 17.725 -27.285 -12.273 1.00 3.32 C ATOM 721 C GLY A 48 16.713 -27.103 -13.392 1.00 73.14 C ATOM 722 O GLY A 48 15.831 -27.944 -13.582 1.00 32.53 O ATOM 0 H GLY A 48 18.265 -29.196 -11.605 1.00 65.51 H new ATOM 0 HA2 GLY A 48 17.668 -26.434 -11.595 1.00 3.32 H new ATOM 0 HA3 GLY A 48 18.730 -27.290 -12.694 1.00 3.32 H new ATOM 726 N GLU A 49 16.856 -26.014 -14.146 1.00 43.12 N ATOM 727 CA GLU A 49 15.944 -25.700 -15.244 1.00 43.14 C ATOM 728 C GLU A 49 15.857 -26.869 -16.224 1.00 60.45 C ATOM 729 O GLU A 49 16.843 -27.238 -16.867 1.00 2.22 O ATOM 730 CB GLU A 49 16.390 -24.413 -15.956 1.00 51.44 C ATOM 731 CG GLU A 49 17.892 -24.348 -16.235 1.00 44.04 C ATOM 732 CD GLU A 49 18.316 -23.073 -16.952 1.00 14.21 C ATOM 733 OE1 GLU A 49 18.428 -22.018 -16.290 1.00 63.23 O ATOM 734 OE2 GLU A 49 18.543 -23.118 -18.182 1.00 54.24 O ATOM 0 H GLU A 49 17.601 -25.330 -14.015 1.00 43.12 H new ATOM 0 HA GLU A 49 14.948 -25.534 -14.833 1.00 43.14 H new ATOM 0 HB2 GLU A 49 15.851 -24.326 -16.899 1.00 51.44 H new ATOM 0 HB3 GLU A 49 16.106 -23.555 -15.346 1.00 51.44 H new ATOM 0 HG2 GLU A 49 18.433 -24.424 -15.292 1.00 44.04 H new ATOM 0 HG3 GLU A 49 18.180 -25.209 -16.838 1.00 44.04 H new ATOM 741 N ALA A 50 14.674 -27.464 -16.304 1.00 15.04 N ATOM 742 CA ALA A 50 14.439 -28.654 -17.111 1.00 15.21 C ATOM 743 C ALA A 50 13.076 -28.576 -17.792 1.00 3.12 C ATOM 744 O ALA A 50 12.259 -27.705 -17.470 1.00 24.11 O ATOM 745 CB ALA A 50 14.534 -29.908 -16.246 1.00 15.15 C ATOM 0 H ALA A 50 13.846 -27.133 -15.808 1.00 15.04 H new ATOM 0 HA ALA A 50 15.206 -28.707 -17.883 1.00 15.21 H new ATOM 0 HB1 ALA A 50 14.356 -30.789 -16.862 1.00 15.15 H new ATOM 0 HB2 ALA A 50 15.528 -29.970 -15.803 1.00 15.15 H new ATOM 0 HB3 ALA A 50 13.786 -29.862 -15.455 1.00 15.15 H new ATOM 751 N SER A 51 12.862 -29.464 -18.758 1.00 24.24 N ATOM 752 CA SER A 51 11.600 -29.532 -19.486 1.00 52.43 C ATOM 753 C SER A 51 10.439 -29.877 -18.546 1.00 62.51 C ATOM 754 O SER A 51 10.621 -30.539 -17.518 1.00 55.12 O ATOM 755 CB SER A 51 11.695 -30.567 -20.618 1.00 22.31 C ATOM 756 OG SER A 51 10.518 -30.583 -21.413 1.00 22.35 O ATOM 0 H SER A 51 13.553 -30.152 -19.056 1.00 24.24 H new ATOM 0 HA SER A 51 11.404 -28.551 -19.919 1.00 52.43 H new ATOM 0 HB2 SER A 51 12.556 -30.341 -21.247 1.00 22.31 H new ATOM 0 HB3 SER A 51 11.861 -31.557 -20.193 1.00 22.31 H new ATOM 0 HG SER A 51 10.613 -31.251 -22.124 1.00 22.35 H new ATOM 762 N ARG A 52 9.252 -29.428 -18.939 1.00 22.34 N ATOM 763 CA ARG A 52 8.022 -29.583 -18.164 1.00 33.32 C ATOM 764 C ARG A 52 7.830 -31.010 -17.642 1.00 54.14 C ATOM 765 O ARG A 52 7.635 -31.209 -16.446 1.00 52.31 O ATOM 766 CB ARG A 52 6.832 -29.183 -19.057 1.00 3.52 C ATOM 767 CG ARG A 52 5.451 -29.557 -18.517 1.00 42.23 C ATOM 768 CD ARG A 52 5.001 -28.669 -17.367 1.00 23.53 C ATOM 769 NE ARG A 52 3.662 -29.046 -16.909 1.00 22.00 N ATOM 770 CZ ARG A 52 2.917 -28.335 -16.066 1.00 21.21 C ATOM 771 NH1 ARG A 52 3.355 -27.171 -15.595 1.00 61.40 N ATOM 772 NH2 ARG A 52 1.720 -28.792 -15.712 1.00 1.50 N ATOM 0 H ARG A 52 9.113 -28.936 -19.822 1.00 22.34 H new ATOM 0 HA ARG A 52 8.086 -28.938 -17.288 1.00 33.32 H new ATOM 0 HB2 ARG A 52 6.863 -28.105 -19.212 1.00 3.52 H new ATOM 0 HB3 ARG A 52 6.960 -29.649 -20.034 1.00 3.52 H new ATOM 0 HG2 ARG A 52 4.722 -29.493 -19.325 1.00 42.23 H new ATOM 0 HG3 ARG A 52 5.467 -30.594 -18.183 1.00 42.23 H new ATOM 0 HD2 ARG A 52 5.708 -28.750 -16.542 1.00 23.53 H new ATOM 0 HD3 ARG A 52 5.001 -27.627 -17.686 1.00 23.53 H new ATOM 0 HE ARG A 52 3.271 -29.919 -17.263 1.00 22.00 H new ATOM 0 HH11 ARG A 52 4.268 -26.817 -15.880 1.00 61.40 H new ATOM 0 HH12 ARG A 52 2.778 -26.632 -14.949 1.00 61.40 H new ATOM 0 HH21 ARG A 52 1.382 -29.679 -16.086 1.00 1.50 H new ATOM 0 HH22 ARG A 52 1.140 -28.256 -15.067 1.00 1.50 H new ATOM 786 N ALA A 53 7.904 -31.996 -18.531 1.00 30.50 N ATOM 787 CA ALA A 53 7.574 -33.378 -18.173 1.00 22.15 C ATOM 788 C ALA A 53 8.487 -33.918 -17.073 1.00 62.54 C ATOM 789 O ALA A 53 8.008 -34.477 -16.085 1.00 54.12 O ATOM 790 CB ALA A 53 7.628 -34.274 -19.405 1.00 32.44 C ATOM 0 H ALA A 53 8.188 -31.868 -19.502 1.00 30.50 H new ATOM 0 HA ALA A 53 6.558 -33.380 -17.779 1.00 22.15 H new ATOM 0 HB1 ALA A 53 7.380 -35.297 -19.122 1.00 32.44 H new ATOM 0 HB2 ALA A 53 6.911 -33.919 -20.145 1.00 32.44 H new ATOM 0 HB3 ALA A 53 8.631 -34.248 -19.830 1.00 32.44 H new ATOM 796 N SER A 54 9.793 -33.745 -17.243 1.00 73.43 N ATOM 797 CA SER A 54 10.767 -34.205 -16.257 1.00 14.52 C ATOM 798 C SER A 54 10.465 -33.590 -14.889 1.00 44.42 C ATOM 799 O SER A 54 10.414 -34.287 -13.864 1.00 24.13 O ATOM 800 CB SER A 54 12.183 -33.822 -16.708 1.00 35.32 C ATOM 801 OG SER A 54 12.426 -34.254 -18.038 1.00 32.13 O ATOM 0 H SER A 54 10.204 -33.288 -18.057 1.00 73.43 H new ATOM 0 HA SER A 54 10.702 -35.290 -16.173 1.00 14.52 H new ATOM 0 HB2 SER A 54 12.309 -32.741 -16.644 1.00 35.32 H new ATOM 0 HB3 SER A 54 12.916 -34.269 -16.037 1.00 35.32 H new ATOM 0 HG SER A 54 13.334 -33.998 -18.305 1.00 32.13 H new ATOM 807 N CYS A 55 10.236 -32.282 -14.900 1.00 64.42 N ATOM 808 CA CYS A 55 9.949 -31.527 -13.690 1.00 0.12 C ATOM 809 C CYS A 55 8.666 -32.026 -13.024 1.00 61.34 C ATOM 810 O CYS A 55 8.663 -32.344 -11.835 1.00 2.11 O ATOM 811 CB CYS A 55 9.836 -30.042 -14.034 1.00 24.25 C ATOM 812 SG CYS A 55 11.305 -29.377 -14.849 1.00 34.22 S ATOM 0 H CYS A 55 10.244 -31.717 -15.749 1.00 64.42 H new ATOM 0 HA CYS A 55 10.765 -31.671 -12.982 1.00 0.12 H new ATOM 0 HB2 CYS A 55 8.972 -29.892 -14.681 1.00 24.25 H new ATOM 0 HB3 CYS A 55 9.651 -29.478 -13.120 1.00 24.25 H new ATOM 0 HG CYS A 55 11.499 -28.151 -14.462 1.00 34.22 H new ATOM 818 N VAL A 56 7.590 -32.116 -13.805 1.00 30.54 N ATOM 819 CA VAL A 56 6.293 -32.558 -13.294 1.00 40.14 C ATOM 820 C VAL A 56 6.400 -33.951 -12.689 1.00 14.44 C ATOM 821 O VAL A 56 5.879 -34.212 -11.604 1.00 25.45 O ATOM 822 CB VAL A 56 5.215 -32.559 -14.405 1.00 40.34 C ATOM 823 CG1 VAL A 56 3.901 -33.156 -13.902 1.00 63.11 C ATOM 824 CG2 VAL A 56 4.994 -31.144 -14.926 1.00 22.04 C ATOM 0 H VAL A 56 7.592 -31.887 -14.799 1.00 30.54 H new ATOM 0 HA VAL A 56 5.992 -31.850 -12.521 1.00 40.14 H new ATOM 0 HB VAL A 56 5.573 -33.184 -15.223 1.00 40.34 H new ATOM 0 HG11 VAL A 56 3.164 -33.143 -14.705 1.00 63.11 H new ATOM 0 HG12 VAL A 56 4.068 -34.184 -13.580 1.00 63.11 H new ATOM 0 HG13 VAL A 56 3.532 -32.568 -13.062 1.00 63.11 H new ATOM 0 HG21 VAL A 56 4.234 -31.158 -15.707 1.00 22.04 H new ATOM 0 HG22 VAL A 56 4.663 -30.503 -14.109 1.00 22.04 H new ATOM 0 HG23 VAL A 56 5.927 -30.757 -15.335 1.00 22.04 H new ATOM 834 N GLU A 57 7.095 -34.830 -13.396 1.00 20.53 N ATOM 835 CA GLU A 57 7.289 -36.201 -12.950 1.00 63.13 C ATOM 836 C GLU A 57 8.005 -36.229 -11.601 1.00 50.11 C ATOM 837 O GLU A 57 7.574 -36.916 -10.672 1.00 23.30 O ATOM 838 CB GLU A 57 8.099 -36.968 -13.998 1.00 41.24 C ATOM 839 CG GLU A 57 8.303 -38.439 -13.675 1.00 22.23 C ATOM 840 CD GLU A 57 9.106 -39.148 -14.748 1.00 72.21 C ATOM 841 OE1 GLU A 57 8.504 -39.612 -15.739 1.00 62.23 O ATOM 842 OE2 GLU A 57 10.346 -39.218 -14.621 1.00 2.33 O ATOM 0 H GLU A 57 7.538 -34.615 -14.289 1.00 20.53 H new ATOM 0 HA GLU A 57 6.316 -36.677 -12.828 1.00 63.13 H new ATOM 0 HB2 GLU A 57 7.596 -36.886 -14.961 1.00 41.24 H new ATOM 0 HB3 GLU A 57 9.074 -36.493 -14.106 1.00 41.24 H new ATOM 0 HG2 GLU A 57 8.815 -38.533 -12.717 1.00 22.23 H new ATOM 0 HG3 GLU A 57 7.333 -38.925 -13.567 1.00 22.23 H new ATOM 849 N TYR A 58 9.089 -35.459 -11.494 1.00 31.40 N ATOM 850 CA TYR A 58 9.880 -35.427 -10.269 1.00 21.01 C ATOM 851 C TYR A 58 9.045 -34.881 -9.106 1.00 34.14 C ATOM 852 O TYR A 58 9.051 -35.441 -8.002 1.00 14.54 O ATOM 853 CB TYR A 58 11.149 -34.583 -10.463 1.00 21.12 C ATOM 854 CG TYR A 58 12.144 -34.728 -9.324 1.00 75.13 C ATOM 855 CD1 TYR A 58 13.078 -35.762 -9.318 1.00 72.45 C ATOM 856 CD2 TYR A 58 12.141 -33.845 -8.253 1.00 60.21 C ATOM 857 CE1 TYR A 58 13.975 -35.907 -8.277 1.00 61.43 C ATOM 858 CE2 TYR A 58 13.033 -33.988 -7.209 1.00 50.22 C ATOM 859 CZ TYR A 58 13.947 -35.017 -7.226 1.00 32.20 C ATOM 860 OH TYR A 58 14.829 -35.161 -6.180 1.00 3.54 O ATOM 0 H TYR A 58 9.436 -34.853 -12.238 1.00 31.40 H new ATOM 0 HA TYR A 58 10.182 -36.447 -10.030 1.00 21.01 H new ATOM 0 HB2 TYR A 58 11.631 -34.872 -11.397 1.00 21.12 H new ATOM 0 HB3 TYR A 58 10.869 -33.534 -10.561 1.00 21.12 H new ATOM 0 HD1 TYR A 58 13.101 -36.462 -10.140 1.00 72.45 H new ATOM 0 HD2 TYR A 58 11.429 -33.033 -8.236 1.00 60.21 H new ATOM 0 HE1 TYR A 58 14.694 -36.713 -8.287 1.00 61.43 H new ATOM 0 HE2 TYR A 58 13.014 -33.294 -6.381 1.00 50.22 H new ATOM 0 HH TYR A 58 14.676 -34.450 -5.523 1.00 3.54 H new ATOM 870 N VAL A 59 8.338 -33.778 -9.355 1.00 73.44 N ATOM 871 CA VAL A 59 7.417 -33.207 -8.371 1.00 43.10 C ATOM 872 C VAL A 59 6.388 -34.249 -7.923 1.00 65.21 C ATOM 873 O VAL A 59 6.126 -34.402 -6.726 1.00 73.20 O ATOM 874 CB VAL A 59 6.674 -31.966 -8.940 1.00 52.21 C ATOM 875 CG1 VAL A 59 5.627 -31.450 -7.953 1.00 2.35 C ATOM 876 CG2 VAL A 59 7.662 -30.857 -9.300 1.00 61.22 C ATOM 0 H VAL A 59 8.386 -33.261 -10.233 1.00 73.44 H new ATOM 0 HA VAL A 59 8.015 -32.895 -7.515 1.00 43.10 H new ATOM 0 HB VAL A 59 6.159 -32.276 -9.849 1.00 52.21 H new ATOM 0 HG11 VAL A 59 5.123 -30.582 -8.378 1.00 2.35 H new ATOM 0 HG12 VAL A 59 4.895 -32.234 -7.756 1.00 2.35 H new ATOM 0 HG13 VAL A 59 6.115 -31.166 -7.020 1.00 2.35 H new ATOM 0 HG21 VAL A 59 7.118 -29.999 -9.696 1.00 61.22 H new ATOM 0 HG22 VAL A 59 8.213 -30.557 -8.409 1.00 61.22 H new ATOM 0 HG23 VAL A 59 8.361 -31.222 -10.053 1.00 61.22 H new ATOM 886 N ASP A 60 5.833 -34.975 -8.892 1.00 75.12 N ATOM 887 CA ASP A 60 4.804 -35.986 -8.629 1.00 61.12 C ATOM 888 C ASP A 60 5.322 -37.067 -7.681 1.00 13.10 C ATOM 889 O ASP A 60 4.595 -37.539 -6.804 1.00 12.42 O ATOM 890 CB ASP A 60 4.335 -36.618 -9.948 1.00 0.13 C ATOM 891 CG ASP A 60 3.292 -37.707 -9.749 1.00 0.51 C ATOM 892 OD1 ASP A 60 2.125 -37.378 -9.447 1.00 73.32 O ATOM 893 OD2 ASP A 60 3.627 -38.904 -9.909 1.00 71.44 O ATOM 0 H ASP A 60 6.080 -34.882 -9.877 1.00 75.12 H new ATOM 0 HA ASP A 60 3.959 -35.493 -8.149 1.00 61.12 H new ATOM 0 HB2 ASP A 60 3.922 -35.840 -10.590 1.00 0.13 H new ATOM 0 HB3 ASP A 60 5.195 -37.038 -10.469 1.00 0.13 H new ATOM 898 N GLN A 61 6.586 -37.449 -7.857 1.00 23.32 N ATOM 899 CA GLN A 61 7.218 -38.446 -6.992 1.00 62.44 C ATOM 900 C GLN A 61 7.283 -37.943 -5.549 1.00 1.45 C ATOM 901 O GLN A 61 7.117 -38.706 -4.597 1.00 71.45 O ATOM 902 CB GLN A 61 8.633 -38.771 -7.498 1.00 35.42 C ATOM 903 CG GLN A 61 8.682 -39.351 -8.913 1.00 44.34 C ATOM 904 CD GLN A 61 8.108 -40.758 -9.015 1.00 0.31 C ATOM 905 OE1 GLN A 61 7.208 -41.141 -8.261 1.00 50.34 O ATOM 906 NE2 GLN A 61 8.624 -41.542 -9.953 1.00 74.24 N ATOM 0 H GLN A 61 7.193 -37.084 -8.591 1.00 23.32 H new ATOM 0 HA GLN A 61 6.615 -39.353 -7.018 1.00 62.44 H new ATOM 0 HB2 GLN A 61 9.233 -37.861 -7.471 1.00 35.42 H new ATOM 0 HB3 GLN A 61 9.097 -39.480 -6.812 1.00 35.42 H new ATOM 0 HG2 GLN A 61 8.131 -38.693 -9.586 1.00 44.34 H new ATOM 0 HG3 GLN A 61 9.717 -39.364 -9.256 1.00 44.34 H new ATOM 0 HE21 GLN A 61 9.367 -41.192 -10.558 1.00 74.24 H new ATOM 0 HE22 GLN A 61 8.278 -42.494 -10.069 1.00 74.24 H new ATOM 915 N HIS A 62 7.522 -36.643 -5.399 1.00 24.43 N ATOM 916 CA HIS A 62 7.646 -36.020 -4.081 1.00 12.13 C ATOM 917 C HIS A 62 6.317 -35.425 -3.612 1.00 73.21 C ATOM 918 O HIS A 62 6.288 -34.628 -2.669 1.00 73.04 O ATOM 919 CB HIS A 62 8.750 -34.950 -4.096 1.00 15.25 C ATOM 920 CG HIS A 62 10.131 -35.531 -4.180 1.00 73.13 C ATOM 921 ND1 HIS A 62 10.992 -35.591 -3.104 1.00 73.44 N ATOM 922 CD2 HIS A 62 10.796 -36.092 -5.220 1.00 44.25 C ATOM 923 CE1 HIS A 62 12.122 -36.162 -3.478 1.00 2.04 C ATOM 924 NE2 HIS A 62 12.030 -36.477 -4.759 1.00 65.22 N ATOM 0 H HIS A 62 7.635 -35.995 -6.179 1.00 24.43 H new ATOM 0 HA HIS A 62 7.924 -36.797 -3.369 1.00 12.13 H new ATOM 0 HB2 HIS A 62 8.590 -34.284 -4.944 1.00 15.25 H new ATOM 0 HB3 HIS A 62 8.672 -34.343 -3.194 1.00 15.25 H new ATOM 0 HD1 HIS A 62 10.787 -35.248 -2.166 1.00 73.44 H new ATOM 0 HD2 HIS A 62 10.423 -36.214 -6.226 1.00 44.25 H new ATOM 0 HE1 HIS A 62 12.978 -36.342 -2.844 1.00 2.04 H new ATOM 933 N TRP A 63 5.221 -35.796 -4.287 1.00 60.44 N ATOM 934 CA TRP A 63 3.881 -35.354 -3.896 1.00 71.34 C ATOM 935 C TRP A 63 3.678 -35.572 -2.393 1.00 41.12 C ATOM 936 O TRP A 63 3.474 -34.620 -1.634 1.00 70.10 O ATOM 937 CB TRP A 63 2.812 -36.112 -4.698 1.00 63.22 C ATOM 938 CG TRP A 63 1.409 -35.636 -4.443 1.00 41.44 C ATOM 939 CD1 TRP A 63 0.594 -35.994 -3.407 1.00 1.51 C ATOM 940 CD2 TRP A 63 0.654 -34.716 -5.245 1.00 15.33 C ATOM 941 NE1 TRP A 63 -0.614 -35.351 -3.512 1.00 61.23 N ATOM 942 CE2 TRP A 63 -0.602 -34.562 -4.630 1.00 5.13 C ATOM 943 CE3 TRP A 63 0.921 -34.006 -6.420 1.00 13.11 C ATOM 944 CZ2 TRP A 63 -1.591 -33.733 -5.151 1.00 75.22 C ATOM 945 CZ3 TRP A 63 -0.061 -33.180 -6.935 1.00 11.13 C ATOM 946 CH2 TRP A 63 -1.303 -33.048 -6.300 1.00 44.21 C ATOM 0 H TRP A 63 5.239 -36.402 -5.107 1.00 60.44 H new ATOM 0 HA TRP A 63 3.782 -34.291 -4.114 1.00 71.34 H new ATOM 0 HB2 TRP A 63 3.031 -36.013 -5.761 1.00 63.22 H new ATOM 0 HB3 TRP A 63 2.875 -37.173 -4.457 1.00 63.22 H new ATOM 0 HD1 TRP A 63 0.861 -36.683 -2.620 1.00 1.51 H new ATOM 0 HE1 TRP A 63 -1.394 -35.446 -2.862 1.00 61.23 H new ATOM 0 HE3 TRP A 63 1.876 -34.101 -6.916 1.00 13.11 H new ATOM 0 HZ2 TRP A 63 -2.551 -33.634 -4.666 1.00 75.22 H new ATOM 0 HZ3 TRP A 63 0.133 -32.627 -7.842 1.00 11.13 H new ATOM 0 HH2 TRP A 63 -2.048 -32.392 -6.726 1.00 44.21 H new ATOM 957 N THR A 64 3.753 -36.828 -1.974 1.00 15.20 N ATOM 958 CA THR A 64 3.707 -37.174 -0.560 1.00 15.11 C ATOM 959 C THR A 64 5.132 -37.340 -0.028 1.00 62.45 C ATOM 960 O THR A 64 5.737 -38.408 -0.158 1.00 30.34 O ATOM 961 CB THR A 64 2.899 -38.471 -0.325 1.00 50.23 C ATOM 962 OG1 THR A 64 1.614 -38.357 -0.956 1.00 30.31 O ATOM 963 CG2 THR A 64 2.713 -38.744 1.167 1.00 51.44 C ATOM 0 H THR A 64 3.847 -37.629 -2.598 1.00 15.20 H new ATOM 0 HA THR A 64 3.207 -36.367 -0.024 1.00 15.11 H new ATOM 0 HB THR A 64 3.454 -39.303 -0.758 1.00 50.23 H new ATOM 0 HG1 THR A 64 1.103 -39.180 -0.808 1.00 30.31 H new ATOM 0 HG21 THR A 64 2.141 -39.662 1.300 1.00 51.44 H new ATOM 0 HG22 THR A 64 3.688 -38.852 1.642 1.00 51.44 H new ATOM 0 HG23 THR A 64 2.177 -37.913 1.625 1.00 51.44 H new ATOM 971 N ASP A 65 5.679 -36.257 0.522 1.00 40.42 N ATOM 972 CA ASP A 65 7.067 -36.244 0.999 1.00 24.01 C ATOM 973 C ASP A 65 7.274 -35.155 2.060 1.00 55.12 C ATOM 974 O ASP A 65 8.367 -34.994 2.588 1.00 53.31 O ATOM 975 CB ASP A 65 8.003 -36.021 -0.206 1.00 53.54 C ATOM 976 CG ASP A 65 9.490 -36.098 0.126 1.00 25.00 C ATOM 977 OD1 ASP A 65 9.915 -37.072 0.790 1.00 73.45 O ATOM 978 OD2 ASP A 65 10.249 -35.213 -0.328 1.00 23.21 O ATOM 0 H ASP A 65 5.184 -35.374 0.650 1.00 40.42 H new ATOM 0 HA ASP A 65 7.298 -37.200 1.468 1.00 24.01 H new ATOM 0 HB2 ASP A 65 7.775 -36.765 -0.970 1.00 53.54 H new ATOM 0 HB3 ASP A 65 7.790 -35.044 -0.639 1.00 53.54 H new ATOM 983 N ILE A 66 6.197 -34.448 2.401 1.00 10.53 N ATOM 984 CA ILE A 66 6.267 -33.294 3.304 1.00 43.50 C ATOM 985 C ILE A 66 5.993 -33.703 4.752 1.00 44.02 C ATOM 986 O ILE A 66 4.889 -34.151 5.051 1.00 1.50 O ATOM 987 CB ILE A 66 5.218 -32.224 2.904 1.00 55.33 C ATOM 988 CG1 ILE A 66 5.352 -31.860 1.417 1.00 3.24 C ATOM 989 CG2 ILE A 66 5.349 -30.974 3.779 1.00 4.12 C ATOM 990 CD1 ILE A 66 4.279 -30.914 0.920 1.00 50.03 C ATOM 0 H ILE A 66 5.257 -34.655 2.063 1.00 10.53 H new ATOM 0 HA ILE A 66 7.275 -32.888 3.222 1.00 43.50 H new ATOM 0 HB ILE A 66 4.227 -32.648 3.065 1.00 55.33 H new ATOM 0 HG12 ILE A 66 6.329 -31.406 1.250 1.00 3.24 H new ATOM 0 HG13 ILE A 66 5.320 -32.774 0.824 1.00 3.24 H new ATOM 0 HG21 ILE A 66 4.602 -30.239 3.478 1.00 4.12 H new ATOM 0 HG22 ILE A 66 5.193 -31.243 4.824 1.00 4.12 H new ATOM 0 HG23 ILE A 66 6.345 -30.549 3.659 1.00 4.12 H new ATOM 0 HD11 ILE A 66 4.440 -30.704 -0.137 1.00 50.03 H new ATOM 0 HD12 ILE A 66 3.299 -31.373 1.053 1.00 50.03 H new ATOM 0 HD13 ILE A 66 4.324 -29.983 1.486 1.00 50.03 H new ATOM 1002 N ARG A 67 6.982 -33.527 5.643 1.00 43.45 N ATOM 1003 CA ARG A 67 6.819 -33.788 7.085 1.00 13.13 C ATOM 1004 C ARG A 67 8.035 -33.284 7.871 1.00 1.21 C ATOM 1005 O ARG A 67 8.823 -34.078 8.386 1.00 12.22 O ATOM 1006 CB ARG A 67 6.577 -35.286 7.410 1.00 43.33 C ATOM 1007 CG ARG A 67 5.109 -35.743 7.377 1.00 74.24 C ATOM 1008 CD ARG A 67 4.191 -34.837 8.205 1.00 40.03 C ATOM 1009 NE ARG A 67 3.957 -33.544 7.549 1.00 51.24 N ATOM 1010 CZ ARG A 67 3.635 -32.410 8.179 1.00 52.53 C ATOM 1011 NH1 ARG A 67 3.483 -32.389 9.500 1.00 23.02 N ATOM 1012 NH2 ARG A 67 3.474 -31.293 7.480 1.00 54.53 N ATOM 0 H ARG A 67 7.914 -33.201 5.387 1.00 43.45 H new ATOM 0 HA ARG A 67 5.927 -33.240 7.390 1.00 13.13 H new ATOM 0 HB2 ARG A 67 7.143 -35.890 6.700 1.00 43.33 H new ATOM 0 HB3 ARG A 67 6.982 -35.495 8.400 1.00 43.33 H new ATOM 0 HG2 ARG A 67 4.761 -35.760 6.344 1.00 74.24 H new ATOM 0 HG3 ARG A 67 5.042 -36.764 7.753 1.00 74.24 H new ATOM 0 HD2 ARG A 67 3.237 -35.339 8.368 1.00 40.03 H new ATOM 0 HD3 ARG A 67 4.635 -34.671 9.186 1.00 40.03 H new ATOM 0 HE ARG A 67 4.047 -33.509 6.534 1.00 51.24 H new ATOM 0 HH11 ARG A 67 3.612 -33.243 10.042 1.00 23.02 H new ATOM 0 HH12 ARG A 67 3.237 -31.518 9.971 1.00 23.02 H new ATOM 0 HH21 ARG A 67 3.596 -31.303 6.467 1.00 54.53 H new ATOM 0 HH22 ARG A 67 3.228 -30.425 7.956 1.00 54.53 H new ATOM 1026 N PRO A 68 8.203 -31.952 7.968 1.00 23.24 N ATOM 1027 CA PRO A 68 9.288 -31.337 8.757 1.00 52.12 C ATOM 1028 C PRO A 68 9.215 -31.725 10.236 1.00 32.14 C ATOM 1029 O PRO A 68 10.238 -31.879 10.899 1.00 54.14 O ATOM 1030 CB PRO A 68 9.044 -29.828 8.590 1.00 22.20 C ATOM 1031 CG PRO A 68 7.623 -29.720 8.144 1.00 33.01 C ATOM 1032 CD PRO A 68 7.373 -30.932 7.305 1.00 50.32 C ATOM 0 HA PRO A 68 10.272 -31.662 8.419 1.00 52.12 H new ATOM 0 HB2 PRO A 68 9.207 -29.295 9.527 1.00 22.20 H new ATOM 0 HB3 PRO A 68 9.723 -29.396 7.855 1.00 22.20 H new ATOM 0 HG2 PRO A 68 6.946 -29.687 8.997 1.00 33.01 H new ATOM 0 HG3 PRO A 68 7.460 -28.807 7.572 1.00 33.01 H new ATOM 0 HD2 PRO A 68 6.319 -31.209 7.296 1.00 50.32 H new ATOM 0 HD3 PRO A 68 7.671 -30.777 6.268 1.00 50.32 H new ATOM 1040 N LYS A 69 7.984 -31.840 10.746 1.00 33.43 N ATOM 1041 CA LYS A 69 7.725 -32.260 12.131 1.00 33.10 C ATOM 1042 C LYS A 69 8.154 -31.211 13.165 1.00 23.31 C ATOM 1043 O LYS A 69 7.825 -31.330 14.346 1.00 52.50 O ATOM 1044 CB LYS A 69 8.391 -33.597 12.425 1.00 52.20 C ATOM 1045 CG LYS A 69 7.704 -34.732 11.695 1.00 34.14 C ATOM 1046 CD LYS A 69 8.096 -36.080 12.250 1.00 43.14 C ATOM 1047 CE LYS A 69 9.521 -36.469 11.879 1.00 61.40 C ATOM 1048 NZ LYS A 69 9.914 -37.770 12.476 1.00 11.42 N ATOM 0 H LYS A 69 7.138 -31.645 10.211 1.00 33.43 H new ATOM 0 HA LYS A 69 6.644 -32.370 12.222 1.00 33.10 H new ATOM 0 HB2 LYS A 69 9.439 -33.555 12.130 1.00 52.20 H new ATOM 0 HB3 LYS A 69 8.369 -33.787 13.498 1.00 52.20 H new ATOM 0 HG2 LYS A 69 6.623 -34.610 11.769 1.00 34.14 H new ATOM 0 HG3 LYS A 69 7.958 -34.688 10.636 1.00 34.14 H new ATOM 0 HD2 LYS A 69 7.997 -36.066 13.335 1.00 43.14 H new ATOM 0 HD3 LYS A 69 7.407 -36.838 11.877 1.00 43.14 H new ATOM 0 HE2 LYS A 69 9.611 -36.526 10.794 1.00 61.40 H new ATOM 0 HE3 LYS A 69 10.208 -35.693 12.216 1.00 61.40 H new ATOM 0 HZ1 LYS A 69 10.890 -37.998 12.199 1.00 11.42 H new ATOM 0 HZ2 LYS A 69 9.853 -37.709 13.512 1.00 11.42 H new ATOM 0 HZ3 LYS A 69 9.274 -38.516 12.135 1.00 11.42 H new ATOM 1062 N SER A 70 8.861 -30.176 12.717 1.00 2.31 N ATOM 1063 CA SER A 70 9.378 -29.134 13.606 1.00 33.04 C ATOM 1064 C SER A 70 8.320 -28.061 13.880 1.00 22.05 C ATOM 1065 O SER A 70 8.639 -26.963 14.345 1.00 32.33 O ATOM 1066 CB SER A 70 10.619 -28.506 12.963 1.00 21.44 C ATOM 1067 OG SER A 70 10.358 -28.168 11.610 1.00 12.21 O ATOM 0 H SER A 70 9.092 -30.035 11.734 1.00 2.31 H new ATOM 0 HA SER A 70 9.642 -29.584 14.563 1.00 33.04 H new ATOM 0 HB2 SER A 70 10.912 -27.614 13.517 1.00 21.44 H new ATOM 0 HB3 SER A 70 11.456 -29.203 13.015 1.00 21.44 H new ATOM 0 HG SER A 70 11.159 -27.766 11.213 1.00 12.21 H new ATOM 1073 N LEU A 71 7.059 -28.391 13.586 1.00 31.13 N ATOM 1074 CA LEU A 71 5.932 -27.464 13.743 1.00 15.23 C ATOM 1075 C LEU A 71 6.065 -26.269 12.792 1.00 23.01 C ATOM 1076 O LEU A 71 5.355 -25.268 12.925 1.00 0.43 O ATOM 1077 CB LEU A 71 5.807 -26.991 15.202 1.00 13.44 C ATOM 1078 CG LEU A 71 5.529 -28.100 16.234 1.00 41.44 C ATOM 1079 CD1 LEU A 71 5.488 -27.527 17.649 1.00 51.23 C ATOM 1080 CD2 LEU A 71 4.227 -28.829 15.906 1.00 31.11 C ATOM 0 H LEU A 71 6.790 -29.309 13.232 1.00 31.13 H new ATOM 0 HA LEU A 71 5.020 -28.001 13.483 1.00 15.23 H new ATOM 0 HB2 LEU A 71 6.729 -26.481 15.481 1.00 13.44 H new ATOM 0 HB3 LEU A 71 5.005 -26.255 15.260 1.00 13.44 H new ATOM 0 HG LEU A 71 6.344 -28.822 16.185 1.00 41.44 H new ATOM 0 HD11 LEU A 71 5.290 -28.329 18.361 1.00 51.23 H new ATOM 0 HD12 LEU A 71 6.447 -27.063 17.882 1.00 51.23 H new ATOM 0 HD13 LEU A 71 4.698 -26.779 17.716 1.00 51.23 H new ATOM 0 HD21 LEU A 71 4.050 -29.608 16.647 1.00 31.11 H new ATOM 0 HD22 LEU A 71 3.399 -28.120 15.920 1.00 31.11 H new ATOM 0 HD23 LEU A 71 4.302 -29.280 14.916 1.00 31.11 H new ATOM 1092 N ARG A 72 6.976 -26.387 11.831 1.00 14.22 N ATOM 1093 CA ARG A 72 7.142 -25.387 10.785 1.00 4.30 C ATOM 1094 C ARG A 72 6.376 -25.811 9.541 1.00 30.11 C ATOM 1095 O ARG A 72 6.412 -26.978 9.155 1.00 10.34 O ATOM 1096 CB ARG A 72 8.630 -25.198 10.446 1.00 53.44 C ATOM 1097 CG ARG A 72 9.411 -24.369 11.465 1.00 5.31 C ATOM 1098 CD ARG A 72 9.053 -22.883 11.393 1.00 1.01 C ATOM 1099 NE ARG A 72 7.693 -22.596 11.875 1.00 45.33 N ATOM 1100 CZ ARG A 72 6.951 -21.567 11.455 1.00 12.43 C ATOM 1101 NH1 ARG A 72 7.407 -20.755 10.510 1.00 54.12 N ATOM 1102 NH2 ARG A 72 5.757 -21.344 11.985 1.00 3.22 N ATOM 0 H ARG A 72 7.618 -27.176 11.756 1.00 14.22 H new ATOM 0 HA ARG A 72 6.747 -24.437 11.146 1.00 4.30 H new ATOM 0 HB2 ARG A 72 9.097 -26.179 10.359 1.00 53.44 H new ATOM 0 HB3 ARG A 72 8.709 -24.720 9.470 1.00 53.44 H new ATOM 0 HG2 ARG A 72 9.207 -24.742 12.468 1.00 5.31 H new ATOM 0 HG3 ARG A 72 10.480 -24.493 11.290 1.00 5.31 H new ATOM 0 HD2 ARG A 72 9.770 -22.313 11.984 1.00 1.01 H new ATOM 0 HD3 ARG A 72 9.147 -22.542 10.362 1.00 1.01 H new ATOM 0 HE ARG A 72 7.291 -23.222 12.573 1.00 45.33 H new ATOM 0 HH11 ARG A 72 8.328 -20.915 10.101 1.00 54.12 H new ATOM 0 HH12 ARG A 72 6.837 -19.971 10.193 1.00 54.12 H new ATOM 0 HH21 ARG A 72 5.401 -21.959 12.717 1.00 3.22 H new ATOM 0 HH22 ARG A 72 5.194 -20.557 11.661 1.00 3.22 H new ATOM 1116 N GLU A 73 5.675 -24.864 8.936 1.00 64.25 N ATOM 1117 CA GLU A 73 4.933 -25.113 7.710 1.00 44.44 C ATOM 1118 C GLU A 73 4.849 -23.810 6.919 1.00 24.34 C ATOM 1119 O GLU A 73 3.939 -23.004 7.131 1.00 70.21 O ATOM 1120 CB GLU A 73 3.522 -25.643 8.028 1.00 2.40 C ATOM 1121 CG GLU A 73 2.894 -26.448 6.896 1.00 2.13 C ATOM 1122 CD GLU A 73 3.489 -27.846 6.777 1.00 51.34 C ATOM 1123 OE1 GLU A 73 3.200 -28.691 7.659 1.00 61.01 O ATOM 1124 OE2 GLU A 73 4.234 -28.108 5.806 1.00 3.40 O ATOM 0 H GLU A 73 5.605 -23.906 9.279 1.00 64.25 H new ATOM 0 HA GLU A 73 5.446 -25.871 7.118 1.00 44.44 H new ATOM 0 HB2 GLU A 73 3.572 -26.267 8.920 1.00 2.40 H new ATOM 0 HB3 GLU A 73 2.873 -24.800 8.265 1.00 2.40 H new ATOM 0 HG2 GLU A 73 1.820 -26.526 7.062 1.00 2.13 H new ATOM 0 HG3 GLU A 73 3.033 -25.916 5.955 1.00 2.13 H new ATOM 1131 N LYS A 74 5.831 -23.581 6.056 1.00 70.24 N ATOM 1132 CA LYS A 74 5.919 -22.336 5.298 1.00 22.11 C ATOM 1133 C LYS A 74 4.953 -22.354 4.117 1.00 62.44 C ATOM 1134 O LYS A 74 5.007 -23.248 3.272 1.00 64.25 O ATOM 1135 CB LYS A 74 7.356 -22.119 4.807 1.00 3.23 C ATOM 1136 CG LYS A 74 7.608 -20.762 4.156 1.00 3.54 C ATOM 1137 CD LYS A 74 9.043 -20.625 3.625 1.00 75.42 C ATOM 1138 CE LYS A 74 10.110 -20.820 4.710 1.00 24.23 C ATOM 1139 NZ LYS A 74 10.354 -22.256 5.046 1.00 24.03 N ATOM 0 H LYS A 74 6.582 -24.244 5.862 1.00 70.24 H new ATOM 0 HA LYS A 74 5.641 -21.511 5.954 1.00 22.11 H new ATOM 0 HB2 LYS A 74 8.036 -22.234 5.652 1.00 3.23 H new ATOM 0 HB3 LYS A 74 7.603 -22.902 4.090 1.00 3.23 H new ATOM 0 HG2 LYS A 74 6.905 -20.619 3.336 1.00 3.54 H new ATOM 0 HG3 LYS A 74 7.415 -19.972 4.882 1.00 3.54 H new ATOM 0 HD2 LYS A 74 9.202 -21.357 2.833 1.00 75.42 H new ATOM 0 HD3 LYS A 74 9.165 -19.639 3.177 1.00 75.42 H new ATOM 0 HE2 LYS A 74 11.044 -20.368 4.377 1.00 24.23 H new ATOM 0 HE3 LYS A 74 9.803 -20.290 5.612 1.00 24.23 H new ATOM 0 HZ1 LYS A 74 11.214 -22.336 5.626 1.00 24.03 H new ATOM 0 HZ2 LYS A 74 9.542 -22.631 5.577 1.00 24.03 H new ATOM 0 HZ3 LYS A 74 10.476 -22.802 4.169 1.00 24.03 H new ATOM 1153 N LEU A 75 4.064 -21.370 4.072 1.00 35.34 N ATOM 1154 CA LEU A 75 3.101 -21.252 2.986 1.00 23.12 C ATOM 1155 C LEU A 75 3.798 -20.800 1.704 1.00 31.02 C ATOM 1156 O LEU A 75 4.657 -19.910 1.727 1.00 35.24 O ATOM 1157 CB LEU A 75 1.984 -20.269 3.368 1.00 12.51 C ATOM 1158 CG LEU A 75 0.863 -20.093 2.328 1.00 13.42 C ATOM 1159 CD1 LEU A 75 0.196 -21.430 2.013 1.00 51.34 C ATOM 1160 CD2 LEU A 75 -0.164 -19.072 2.819 1.00 72.41 C ATOM 0 H LEU A 75 3.990 -20.639 4.779 1.00 35.34 H new ATOM 0 HA LEU A 75 2.654 -22.230 2.808 1.00 23.12 H new ATOM 0 HB2 LEU A 75 1.536 -20.603 4.304 1.00 12.51 H new ATOM 0 HB3 LEU A 75 2.433 -19.294 3.559 1.00 12.51 H new ATOM 0 HG LEU A 75 1.306 -19.717 1.406 1.00 13.42 H new ATOM 0 HD11 LEU A 75 -0.592 -21.279 1.276 1.00 51.34 H new ATOM 0 HD12 LEU A 75 0.938 -22.122 1.614 1.00 51.34 H new ATOM 0 HD13 LEU A 75 -0.234 -21.846 2.924 1.00 51.34 H new ATOM 0 HD21 LEU A 75 -0.950 -18.959 2.072 1.00 72.41 H new ATOM 0 HD22 LEU A 75 -0.601 -19.417 3.756 1.00 72.41 H new ATOM 0 HD23 LEU A 75 0.326 -18.111 2.979 1.00 72.41 H new ATOM 1172 N ALA A 76 3.433 -21.432 0.596 1.00 23.23 N ATOM 1173 CA ALA A 76 3.998 -21.105 -0.705 1.00 45.32 C ATOM 1174 C ALA A 76 3.261 -19.921 -1.323 1.00 65.42 C ATOM 1175 O ALA A 76 2.044 -19.967 -1.507 1.00 13.14 O ATOM 1176 CB ALA A 76 3.937 -22.318 -1.631 1.00 72.54 C ATOM 0 H ALA A 76 2.741 -22.181 0.574 1.00 23.23 H new ATOM 0 HA ALA A 76 5.043 -20.827 -0.570 1.00 45.32 H new ATOM 0 HB1 ALA A 76 4.363 -22.058 -2.600 1.00 72.54 H new ATOM 0 HB2 ALA A 76 4.505 -23.139 -1.193 1.00 72.54 H new ATOM 0 HB3 ALA A 76 2.899 -22.624 -1.762 1.00 72.54 H new ATOM 1182 N SER A 77 4.003 -18.865 -1.636 1.00 75.32 N ATOM 1183 CA SER A 77 3.434 -17.666 -2.239 1.00 12.25 C ATOM 1184 C SER A 77 4.481 -16.991 -3.123 1.00 32.34 C ATOM 1185 O SER A 77 5.676 -17.290 -3.022 1.00 31.55 O ATOM 1186 CB SER A 77 2.941 -16.705 -1.144 1.00 55.35 C ATOM 1187 OG SER A 77 2.275 -15.582 -1.702 1.00 45.41 O ATOM 0 H SER A 77 5.010 -18.816 -1.480 1.00 75.32 H new ATOM 0 HA SER A 77 2.580 -17.942 -2.857 1.00 12.25 H new ATOM 0 HB2 SER A 77 2.265 -17.233 -0.471 1.00 55.35 H new ATOM 0 HB3 SER A 77 3.787 -16.368 -0.546 1.00 55.35 H new ATOM 0 HG SER A 77 1.972 -14.990 -0.982 1.00 45.41 H new ATOM 1193 N GLY A 78 4.037 -16.082 -3.988 1.00 44.34 N ATOM 1194 CA GLY A 78 4.948 -15.400 -4.892 1.00 72.14 C ATOM 1195 C GLY A 78 4.253 -14.903 -6.144 1.00 74.32 C ATOM 1196 O GLY A 78 4.386 -13.735 -6.507 1.00 34.32 O ATOM 0 H GLY A 78 3.060 -15.805 -4.079 1.00 44.34 H new ATOM 0 HA2 GLY A 78 5.406 -14.557 -4.375 1.00 72.14 H new ATOM 0 HA3 GLY A 78 5.754 -16.078 -5.172 1.00 72.14 H new ATOM 1200 N GLN A 79 3.506 -15.798 -6.797 1.00 65.34 N ATOM 1201 CA GLN A 79 2.787 -15.474 -8.036 1.00 64.55 C ATOM 1202 C GLN A 79 3.763 -15.032 -9.138 1.00 10.44 C ATOM 1203 O GLN A 79 3.407 -14.246 -10.021 1.00 4.52 O ATOM 1204 CB GLN A 79 1.729 -14.380 -7.786 1.00 32.42 C ATOM 1205 CG GLN A 79 0.671 -14.753 -6.748 1.00 42.23 C ATOM 1206 CD GLN A 79 -0.073 -16.036 -7.081 1.00 52.43 C ATOM 1207 OE1 GLN A 79 -0.212 -16.406 -8.247 1.00 31.31 O ATOM 1208 NE2 GLN A 79 -0.576 -16.712 -6.059 1.00 13.30 N ATOM 0 H GLN A 79 3.382 -16.761 -6.486 1.00 65.34 H new ATOM 0 HA GLN A 79 2.277 -16.377 -8.372 1.00 64.55 H new ATOM 0 HB2 GLN A 79 2.234 -13.470 -7.462 1.00 32.42 H new ATOM 0 HB3 GLN A 79 1.231 -14.150 -8.728 1.00 32.42 H new ATOM 0 HG2 GLN A 79 1.149 -14.861 -5.775 1.00 42.23 H new ATOM 0 HG3 GLN A 79 -0.047 -13.937 -6.662 1.00 42.23 H new ATOM 0 HE21 GLN A 79 -0.440 -16.373 -5.107 1.00 13.30 H new ATOM 0 HE22 GLN A 79 -1.100 -17.571 -6.224 1.00 13.30 H new ATOM 1217 N GLY A 80 4.980 -15.570 -9.092 1.00 4.32 N ATOM 1218 CA GLY A 80 6.001 -15.211 -10.066 1.00 64.22 C ATOM 1219 C GLY A 80 5.688 -15.744 -11.454 1.00 51.02 C ATOM 1220 O GLY A 80 6.063 -15.088 -12.449 1.00 40.05 O ATOM 1221 OXT GLY A 80 5.058 -16.818 -11.555 1.00 0.00 O ATOM 0 H GLY A 80 5.279 -16.251 -8.394 1.00 4.32 H new ATOM 0 HA2 GLY A 80 6.094 -14.126 -10.109 1.00 64.22 H new ATOM 0 HA3 GLY A 80 6.965 -15.601 -9.739 1.00 64.22 H new TER 1225 GLY A 80