USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 738 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 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 73 CYS SG : rot -140:sc= -0.934 USER MOD Single : A 1 GLY N :NH3+ 126:sc= 0.0872 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.0137 X(o=0.014,f=-0.21) USER MOD Single : A 11 MET CE :methyl -130:sc= 0 (180deg=-0.108) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0.608 (180deg=0.594) USER MOD Single : A 14 SER OG : rot 81:sc= 0.805 USER MOD Single : A 19 ASN : amide:sc= -0.64 K(o=-0.64,f=-2.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0107 USER MOD Single : A 38 MET CE :methyl 146:sc= -1.05 (180deg=-1.9) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -57:sc= 0.078 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0952 USER MOD Single : A 51 THR OG1 : rot -76:sc= 0.317 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -15:sc= -0.0021 USER MOD Single : A 59 SER OG : rot 180:sc= 0.00279 USER MOD Single : A 82 TYR OH : rot -141:sc= 1.36 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.28) USER MOD Single : A 90 THR OG1 : rot -24:sc= 0.0157 USER MOD Single : A 91 TYR OH : rot -2:sc= 1.24 USER MOD Single : A 96 GLN : amide:sc= -0.707 K(o=-0.71,f=-1.7) USER MOD Single : A 98 MET CE :methyl 138:sc= -0.111 (180deg=-0.382) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.911 11.280 -11.594 1.00 0.00 N ATOM 2 CA GLY A 1 -19.493 11.241 -11.222 1.00 0.00 C ATOM 3 C GLY A 1 -19.300 10.207 -10.133 1.00 0.00 C ATOM 4 O GLY A 1 -20.214 9.960 -9.351 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.263 12.256 -11.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.023 10.946 -12.572 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.455 10.666 -10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.882 10.993 -12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.168 12.221 -10.873 1.00 0.00 H new ATOM 8 N SER A 2 -18.131 9.567 -10.105 1.00 0.00 N ATOM 9 CA SER A 2 -17.864 8.459 -9.203 1.00 0.00 C ATOM 10 C SER A 2 -17.948 8.914 -7.743 1.00 0.00 C ATOM 11 O SER A 2 -17.563 10.038 -7.411 1.00 0.00 O ATOM 12 CB SER A 2 -16.490 7.862 -9.533 1.00 0.00 C ATOM 13 OG SER A 2 -16.336 7.663 -10.934 1.00 0.00 O ATOM 0 H SER A 2 -17.345 9.806 -10.710 1.00 0.00 H new ATOM 0 HA SER A 2 -18.621 7.687 -9.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.706 8.526 -9.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.370 6.912 -9.013 1.00 0.00 H new ATOM 0 HG SER A 2 -15.451 7.283 -11.115 1.00 0.00 H new ATOM 19 N HIS A 3 -18.445 8.038 -6.873 1.00 0.00 N ATOM 20 CA HIS A 3 -18.579 8.278 -5.440 1.00 0.00 C ATOM 21 C HIS A 3 -18.383 6.966 -4.671 1.00 0.00 C ATOM 22 O HIS A 3 -19.060 6.692 -3.677 1.00 0.00 O ATOM 23 CB HIS A 3 -19.920 8.969 -5.152 1.00 0.00 C ATOM 24 CG HIS A 3 -21.139 8.231 -5.650 1.00 0.00 C ATOM 25 ND1 HIS A 3 -21.687 7.096 -5.089 1.00 0.00 N ATOM 26 CD2 HIS A 3 -21.957 8.631 -6.672 1.00 0.00 C ATOM 27 CE1 HIS A 3 -22.816 6.813 -5.760 1.00 0.00 C ATOM 28 NE2 HIS A 3 -23.039 7.744 -6.705 1.00 0.00 N ATOM 0 H HIS A 3 -18.775 7.115 -7.155 1.00 0.00 H new ATOM 0 HA HIS A 3 -17.801 8.957 -5.091 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -20.014 9.111 -4.075 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -19.905 9.961 -5.604 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -21.304 6.567 -4.306 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -21.797 9.473 -7.329 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -23.452 5.962 -5.568 1.00 0.00 H new ATOM 36 N GLU A 4 -17.467 6.130 -5.154 1.00 0.00 N ATOM 37 CA GLU A 4 -17.001 4.931 -4.477 1.00 0.00 C ATOM 38 C GLU A 4 -15.497 4.816 -4.677 1.00 0.00 C ATOM 39 O GLU A 4 -14.991 5.139 -5.761 1.00 0.00 O ATOM 40 CB GLU A 4 -17.668 3.677 -5.061 1.00 0.00 C ATOM 41 CG GLU A 4 -18.824 3.183 -4.196 1.00 0.00 C ATOM 42 CD GLU A 4 -19.160 1.744 -4.564 1.00 0.00 C ATOM 43 OE1 GLU A 4 -18.416 0.832 -4.141 1.00 0.00 O ATOM 44 OE2 GLU A 4 -20.143 1.540 -5.321 1.00 0.00 O ATOM 0 H GLU A 4 -17.016 6.277 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.254 5.004 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -18.035 3.896 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.926 2.885 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.555 3.246 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.697 3.819 -4.341 1.00 0.00 H new ATOM 51 N GLY A 5 -14.809 4.305 -3.663 1.00 0.00 N ATOM 52 CA GLY A 5 -13.414 3.936 -3.709 1.00 0.00 C ATOM 53 C GLY A 5 -12.686 4.565 -2.534 1.00 0.00 C ATOM 54 O GLY A 5 -11.968 5.557 -2.693 1.00 0.00 O ATOM 0 H GLY A 5 -15.233 4.132 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.312 2.851 -3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.969 4.269 -4.647 1.00 0.00 H new ATOM 58 N GLU A 6 -12.896 4.013 -1.342 1.00 0.00 N ATOM 59 CA GLU A 6 -12.127 4.360 -0.155 1.00 0.00 C ATOM 60 C GLU A 6 -10.664 3.909 -0.310 1.00 0.00 C ATOM 61 O GLU A 6 -10.359 3.097 -1.184 1.00 0.00 O ATOM 62 CB GLU A 6 -12.797 3.720 1.076 1.00 0.00 C ATOM 63 CG GLU A 6 -13.680 4.745 1.801 1.00 0.00 C ATOM 64 CD GLU A 6 -13.919 4.376 3.264 1.00 0.00 C ATOM 65 OE1 GLU A 6 -12.955 4.450 4.072 1.00 0.00 O ATOM 66 OE2 GLU A 6 -15.083 4.147 3.652 1.00 0.00 O ATOM 0 H GLU A 6 -13.612 3.306 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.113 5.442 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.400 2.866 0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.035 3.342 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.210 5.727 1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.638 4.823 1.287 1.00 0.00 H new ATOM 73 N PRO A 7 -9.744 4.401 0.540 1.00 0.00 N ATOM 74 CA PRO A 7 -8.336 4.011 0.539 1.00 0.00 C ATOM 75 C PRO A 7 -8.184 2.600 1.142 1.00 0.00 C ATOM 76 O PRO A 7 -7.649 2.417 2.242 1.00 0.00 O ATOM 77 CB PRO A 7 -7.638 5.104 1.365 1.00 0.00 C ATOM 78 CG PRO A 7 -8.708 5.382 2.423 1.00 0.00 C ATOM 79 CD PRO A 7 -9.983 5.378 1.594 1.00 0.00 C ATOM 0 HA PRO A 7 -7.896 3.944 -0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.702 4.758 1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.404 5.987 0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.723 4.616 3.198 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.549 6.338 2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.847 5.102 2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.187 6.365 1.179 1.00 0.00 H new ATOM 87 N VAL A 8 -8.675 1.584 0.446 1.00 0.00 N ATOM 88 CA VAL A 8 -8.683 0.199 0.893 1.00 0.00 C ATOM 89 C VAL A 8 -8.215 -0.676 -0.268 1.00 0.00 C ATOM 90 O VAL A 8 -8.459 -0.352 -1.434 1.00 0.00 O ATOM 91 CB VAL A 8 -10.078 -0.149 1.461 1.00 0.00 C ATOM 92 CG1 VAL A 8 -11.195 -0.175 0.406 1.00 0.00 C ATOM 93 CG2 VAL A 8 -10.050 -1.476 2.232 1.00 0.00 C ATOM 0 H VAL A 8 -9.093 1.706 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.990 0.019 1.715 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.318 0.665 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.142 -0.427 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.275 0.806 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.962 -0.922 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.046 -1.693 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.738 -2.278 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.347 -1.400 3.061 1.00 0.00 H new ATOM 103 N VAL A 9 -7.517 -1.775 0.030 1.00 0.00 N ATOM 104 CA VAL A 9 -7.087 -2.735 -0.974 1.00 0.00 C ATOM 105 C VAL A 9 -8.223 -3.736 -1.204 1.00 0.00 C ATOM 106 O VAL A 9 -8.398 -4.700 -0.452 1.00 0.00 O ATOM 107 CB VAL A 9 -5.722 -3.372 -0.635 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.252 -4.216 -1.828 1.00 0.00 C ATOM 109 CG2 VAL A 9 -4.633 -2.329 -0.363 1.00 0.00 C ATOM 0 H VAL A 9 -7.236 -2.019 0.980 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.896 -2.229 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.868 -3.969 0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.288 -4.669 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.982 -5.000 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.151 -3.579 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.696 -2.834 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.499 -1.704 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.929 -1.706 0.481 1.00 0.00 H new ATOM 119 N GLY A 10 -8.979 -3.516 -2.275 1.00 0.00 N ATOM 120 CA GLY A 10 -9.944 -4.416 -2.876 1.00 0.00 C ATOM 121 C GLY A 10 -9.848 -4.222 -4.382 1.00 0.00 C ATOM 122 O GLY A 10 -10.548 -3.380 -4.935 1.00 0.00 O ATOM 0 H GLY A 10 -8.924 -2.632 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.729 -5.450 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.951 -4.196 -2.521 1.00 0.00 H new ATOM 126 N MET A 11 -8.930 -4.957 -5.012 1.00 0.00 N ATOM 127 CA MET A 11 -8.627 -5.037 -6.445 1.00 0.00 C ATOM 128 C MET A 11 -8.236 -3.746 -7.178 1.00 0.00 C ATOM 129 O MET A 11 -7.616 -3.855 -8.235 1.00 0.00 O ATOM 130 CB MET A 11 -9.760 -5.747 -7.198 1.00 0.00 C ATOM 131 CG MET A 11 -9.955 -7.192 -6.730 1.00 0.00 C ATOM 132 SD MET A 11 -10.909 -8.234 -7.865 1.00 0.00 S ATOM 133 CE MET A 11 -9.652 -8.499 -9.147 1.00 0.00 C ATOM 0 H MET A 11 -8.318 -5.574 -4.478 1.00 0.00 H new ATOM 0 HA MET A 11 -7.704 -5.616 -6.457 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.689 -5.194 -7.058 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.543 -5.740 -8.266 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.976 -7.646 -6.578 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.455 -7.181 -5.761 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.078 -8.278 -10.126 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.802 -7.841 -8.965 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.320 -9.537 -9.122 1.00 0.00 H new ATOM 143 N ASP A 12 -8.550 -2.544 -6.695 1.00 0.00 N ATOM 144 CA ASP A 12 -8.354 -1.312 -7.462 1.00 0.00 C ATOM 145 C ASP A 12 -7.237 -0.471 -6.867 1.00 0.00 C ATOM 146 O ASP A 12 -7.439 0.251 -5.890 1.00 0.00 O ATOM 147 CB ASP A 12 -9.646 -0.510 -7.609 1.00 0.00 C ATOM 148 CG ASP A 12 -9.398 0.584 -8.641 1.00 0.00 C ATOM 149 OD1 ASP A 12 -9.244 0.236 -9.832 1.00 0.00 O ATOM 150 OD2 ASP A 12 -9.315 1.783 -8.294 1.00 0.00 O ATOM 0 H ASP A 12 -8.945 -2.396 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.054 -1.603 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.464 -1.157 -7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.937 -0.075 -6.653 1.00 0.00 H new ATOM 155 N LYS A 13 -6.026 -0.581 -7.415 1.00 0.00 N ATOM 156 CA LYS A 13 -4.817 0.092 -6.924 1.00 0.00 C ATOM 157 C LYS A 13 -4.801 1.596 -7.218 1.00 0.00 C ATOM 158 O LYS A 13 -3.726 2.171 -7.336 1.00 0.00 O ATOM 159 CB LYS A 13 -3.572 -0.625 -7.478 1.00 0.00 C ATOM 160 CG LYS A 13 -3.252 -1.938 -6.755 1.00 0.00 C ATOM 161 CD LYS A 13 -2.686 -1.787 -5.336 1.00 0.00 C ATOM 162 CE LYS A 13 -2.431 -3.131 -4.644 1.00 0.00 C ATOM 163 NZ LYS A 13 -1.571 -4.038 -5.432 1.00 0.00 N ATOM 0 H LYS A 13 -5.851 -1.158 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.812 0.022 -5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.722 -0.830 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.713 0.042 -7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.162 -2.536 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.536 -2.499 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.753 -1.226 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.381 -1.201 -4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.966 -2.951 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.386 -3.621 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.311 -4.861 -4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.086 -4.358 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.709 -3.534 -5.723 1.00 0.00 H new ATOM 177 N SER A 14 -5.947 2.258 -7.313 1.00 0.00 N ATOM 178 CA SER A 14 -6.045 3.622 -7.815 1.00 0.00 C ATOM 179 C SER A 14 -6.888 4.507 -6.889 1.00 0.00 C ATOM 180 O SER A 14 -7.499 5.474 -7.340 1.00 0.00 O ATOM 181 CB SER A 14 -6.474 3.585 -9.298 1.00 0.00 C ATOM 182 OG SER A 14 -7.129 2.384 -9.677 1.00 0.00 O ATOM 0 H SER A 14 -6.845 1.858 -7.040 1.00 0.00 H new ATOM 0 HA SER A 14 -5.072 4.112 -7.800 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.137 4.427 -9.495 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.592 3.720 -9.925 1.00 0.00 H new ATOM 0 HG SER A 14 -8.068 2.422 -9.400 1.00 0.00 H new ATOM 188 N LEU A 15 -6.913 4.189 -5.588 1.00 0.00 N ATOM 189 CA LEU A 15 -7.786 4.809 -4.584 1.00 0.00 C ATOM 190 C LEU A 15 -7.024 5.389 -3.381 1.00 0.00 C ATOM 191 O LEU A 15 -7.647 5.851 -2.425 1.00 0.00 O ATOM 192 CB LEU A 15 -8.790 3.754 -4.086 1.00 0.00 C ATOM 193 CG LEU A 15 -9.706 3.171 -5.175 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.564 2.051 -4.575 1.00 0.00 C ATOM 195 CD2 LEU A 15 -10.565 4.273 -5.806 1.00 0.00 C ATOM 0 H LEU A 15 -6.307 3.470 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.288 5.647 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.237 2.938 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.411 4.202 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.098 2.745 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.214 1.637 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.916 1.265 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.173 2.453 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.206 3.840 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.183 4.738 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.918 5.026 -6.256 1.00 0.00 H new ATOM 207 N PHE A 16 -5.694 5.319 -3.372 1.00 0.00 N ATOM 208 CA PHE A 16 -4.911 5.485 -2.149 1.00 0.00 C ATOM 209 C PHE A 16 -4.504 6.935 -1.943 1.00 0.00 C ATOM 210 O PHE A 16 -4.556 7.425 -0.814 1.00 0.00 O ATOM 211 CB PHE A 16 -3.693 4.557 -2.173 1.00 0.00 C ATOM 212 CG PHE A 16 -4.120 3.108 -2.237 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.665 2.562 -3.415 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.112 2.354 -1.058 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.295 1.312 -3.376 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.694 1.080 -1.038 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.319 0.575 -2.189 1.00 0.00 C ATOM 0 H PHE A 16 -5.132 5.147 -4.206 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.536 5.207 -1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.067 4.794 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.087 4.723 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.597 3.106 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.657 2.754 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.763 0.917 -4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.662 0.486 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.818 -0.382 -2.157 1.00 0.00 H new ATOM 227 N ALA A 17 -4.201 7.638 -3.038 1.00 0.00 N ATOM 228 CA ALA A 17 -3.786 9.035 -3.109 1.00 0.00 C ATOM 229 C ALA A 17 -4.841 10.046 -2.653 1.00 0.00 C ATOM 230 O ALA A 17 -4.711 11.246 -2.889 1.00 0.00 O ATOM 231 CB ALA A 17 -3.350 9.304 -4.553 1.00 0.00 C ATOM 0 H ALA A 17 -4.244 7.211 -3.963 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.969 9.179 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.031 10.342 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.522 8.644 -4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.187 9.118 -5.226 1.00 0.00 H new ATOM 237 N GLY A 18 -5.873 9.567 -1.976 1.00 0.00 N ATOM 238 CA GLY A 18 -7.048 10.303 -1.574 1.00 0.00 C ATOM 239 C GLY A 18 -7.195 10.453 -0.062 1.00 0.00 C ATOM 240 O GLY A 18 -7.999 11.284 0.358 1.00 0.00 O ATOM 0 H GLY A 18 -5.908 8.592 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.017 11.294 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.932 9.801 -1.967 1.00 0.00 H new ATOM 244 N ASN A 19 -6.446 9.708 0.767 1.00 0.00 N ATOM 245 CA ASN A 19 -6.569 9.806 2.227 1.00 0.00 C ATOM 246 C ASN A 19 -5.250 10.208 2.884 1.00 0.00 C ATOM 247 O ASN A 19 -4.305 9.424 2.952 1.00 0.00 O ATOM 248 CB ASN A 19 -7.140 8.506 2.798 1.00 0.00 C ATOM 249 CG ASN A 19 -7.556 8.679 4.256 1.00 0.00 C ATOM 250 OD1 ASN A 19 -7.855 9.783 4.683 1.00 0.00 O ATOM 251 ND2 ASN A 19 -7.618 7.631 5.056 1.00 0.00 N ATOM 0 H ASN A 19 -5.750 9.033 0.450 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.272 10.605 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.000 8.193 2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.395 7.714 2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.914 7.746 6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.369 6.706 4.705 1.00 0.00 H new ATOM 258 N THR A 20 -5.167 11.445 3.359 1.00 0.00 N ATOM 259 CA THR A 20 -3.947 12.111 3.816 1.00 0.00 C ATOM 260 C THR A 20 -3.495 11.707 5.233 1.00 0.00 C ATOM 261 O THR A 20 -2.605 12.353 5.794 1.00 0.00 O ATOM 262 CB THR A 20 -4.195 13.631 3.691 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.461 14.007 4.216 1.00 0.00 O ATOM 264 CG2 THR A 20 -4.210 14.023 2.212 1.00 0.00 C ATOM 0 H THR A 20 -5.989 12.043 3.441 1.00 0.00 H new ATOM 0 HA THR A 20 -3.113 11.794 3.190 1.00 0.00 H new ATOM 0 HB THR A 20 -3.400 14.129 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.580 14.975 4.121 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.385 15.095 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.251 13.772 1.759 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.005 13.481 1.700 1.00 0.00 H new ATOM 272 N VAL A 21 -4.111 10.676 5.824 1.00 0.00 N ATOM 273 CA VAL A 21 -3.940 10.312 7.229 1.00 0.00 C ATOM 274 C VAL A 21 -3.836 8.791 7.425 1.00 0.00 C ATOM 275 O VAL A 21 -3.595 8.335 8.538 1.00 0.00 O ATOM 276 CB VAL A 21 -5.053 10.986 8.065 1.00 0.00 C ATOM 277 CG1 VAL A 21 -6.427 10.342 7.847 1.00 0.00 C ATOM 278 CG2 VAL A 21 -4.706 11.049 9.558 1.00 0.00 C ATOM 0 H VAL A 21 -4.755 10.061 5.326 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.985 10.690 7.593 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.115 12.011 7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.170 10.854 8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.704 10.422 6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.385 9.291 8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.519 11.531 10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.563 10.039 9.941 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.789 11.622 9.695 1.00 0.00 H new ATOM 288 N ILE A 22 -3.996 7.986 6.364 1.00 0.00 N ATOM 289 CA ILE A 22 -3.852 6.544 6.444 1.00 0.00 C ATOM 290 C ILE A 22 -2.374 6.245 6.682 1.00 0.00 C ATOM 291 O ILE A 22 -1.551 6.398 5.775 1.00 0.00 O ATOM 292 CB ILE A 22 -4.482 5.867 5.206 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.545 4.345 5.393 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.831 6.224 3.856 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.470 3.686 4.365 1.00 0.00 C ATOM 0 H ILE A 22 -4.229 8.327 5.431 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.403 6.114 7.281 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.490 6.278 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.543 3.925 5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.897 4.116 6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.347 5.697 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.903 7.299 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.782 5.929 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.488 2.609 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.478 4.087 4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.103 3.893 3.360 1.00 0.00 H new ATOM 307 N ARG A 23 -2.031 5.885 7.920 1.00 0.00 N ATOM 308 CA ARG A 23 -0.657 5.536 8.264 1.00 0.00 C ATOM 309 C ARG A 23 -0.346 4.102 7.884 1.00 0.00 C ATOM 310 O ARG A 23 0.829 3.760 7.847 1.00 0.00 O ATOM 311 CB ARG A 23 -0.367 5.777 9.759 1.00 0.00 C ATOM 312 CG ARG A 23 -0.712 7.213 10.178 1.00 0.00 C ATOM 313 CD ARG A 23 -0.091 7.634 11.513 1.00 0.00 C ATOM 314 NE ARG A 23 -0.421 9.046 11.778 1.00 0.00 N ATOM 315 CZ ARG A 23 0.178 10.092 11.188 1.00 0.00 C ATOM 316 NH1 ARG A 23 1.375 9.978 10.624 1.00 0.00 N ATOM 317 NH2 ARG A 23 -0.447 11.261 11.125 1.00 0.00 N ATOM 0 H ARG A 23 -2.687 5.828 8.699 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.004 6.192 7.689 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.944 5.074 10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.686 5.581 9.962 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.377 7.899 9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.795 7.312 10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.468 7.003 12.318 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.990 7.500 11.483 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.156 9.242 12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.860 9.081 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.810 10.788 10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.380 11.363 11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.006 12.058 10.677 1.00 0.00 H new ATOM 331 N GLU A 24 -1.358 3.274 7.613 1.00 0.00 N ATOM 332 CA GLU A 24 -1.239 1.819 7.591 1.00 0.00 C ATOM 333 C GLU A 24 -2.115 1.256 6.483 1.00 0.00 C ATOM 334 O GLU A 24 -3.313 1.545 6.440 1.00 0.00 O ATOM 335 CB GLU A 24 -1.670 1.219 8.942 1.00 0.00 C ATOM 336 CG GLU A 24 -0.541 1.247 9.979 1.00 0.00 C ATOM 337 CD GLU A 24 -1.059 1.131 11.408 1.00 0.00 C ATOM 338 OE1 GLU A 24 -1.786 2.050 11.852 1.00 0.00 O ATOM 339 OE2 GLU A 24 -0.663 0.181 12.126 1.00 0.00 O ATOM 0 H GLU A 24 -2.299 3.605 7.399 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.197 1.556 7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.527 1.773 9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.997 0.190 8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.152 0.429 9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.022 2.175 9.874 1.00 0.00 H new ATOM 346 N ILE A 25 -1.525 0.455 5.597 1.00 0.00 N ATOM 347 CA ILE A 25 -2.178 -0.106 4.417 1.00 0.00 C ATOM 348 C ILE A 25 -1.833 -1.596 4.368 1.00 0.00 C ATOM 349 O ILE A 25 -0.710 -1.975 4.027 1.00 0.00 O ATOM 350 CB ILE A 25 -1.725 0.682 3.163 1.00 0.00 C ATOM 351 CG1 ILE A 25 -2.299 2.113 3.182 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.115 -0.025 1.853 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.648 3.032 2.148 1.00 0.00 C ATOM 0 H ILE A 25 -0.549 0.170 5.684 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.264 -0.015 4.455 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.637 0.730 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.372 2.070 2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.163 2.540 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.775 0.568 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.649 -1.010 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.198 -0.135 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.095 4.024 2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.578 3.102 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.806 2.626 1.149 1.00 0.00 H new ATOM 365 N THR A 26 -2.774 -2.459 4.735 1.00 0.00 N ATOM 366 CA THR A 26 -2.670 -3.887 4.461 1.00 0.00 C ATOM 367 C THR A 26 -2.956 -4.124 2.970 1.00 0.00 C ATOM 368 O THR A 26 -3.881 -3.526 2.411 1.00 0.00 O ATOM 369 CB THR A 26 -3.660 -4.670 5.338 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.462 -4.376 6.711 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.459 -6.180 5.139 1.00 0.00 C ATOM 0 H THR A 26 -3.626 -2.190 5.228 1.00 0.00 H new ATOM 0 HA THR A 26 -1.666 -4.239 4.697 1.00 0.00 H new ATOM 0 HB THR A 26 -4.667 -4.377 5.043 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.104 -4.884 7.250 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.165 -6.727 5.764 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.628 -6.435 4.093 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.441 -6.451 5.418 1.00 0.00 H new ATOM 379 N VAL A 27 -2.205 -5.022 2.326 1.00 0.00 N ATOM 380 CA VAL A 27 -2.327 -5.414 0.921 1.00 0.00 C ATOM 381 C VAL A 27 -2.243 -6.945 0.846 1.00 0.00 C ATOM 382 O VAL A 27 -1.808 -7.598 1.791 1.00 0.00 O ATOM 383 CB VAL A 27 -1.206 -4.755 0.073 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.609 -4.606 -1.403 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.823 -3.345 0.532 1.00 0.00 C ATOM 0 H VAL A 27 -1.453 -5.523 2.799 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.281 -5.076 0.516 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.364 -5.435 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.794 -4.140 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.819 -5.589 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.500 -3.982 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.034 -2.955 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.695 -2.694 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.467 -3.382 1.562 1.00 0.00 H new ATOM 395 N GLN A 28 -2.624 -7.533 -0.289 1.00 0.00 N ATOM 396 CA GLN A 28 -2.551 -8.958 -0.575 1.00 0.00 C ATOM 397 C GLN A 28 -1.750 -9.169 -1.883 1.00 0.00 C ATOM 398 O GLN A 28 -1.474 -8.189 -2.583 1.00 0.00 O ATOM 399 CB GLN A 28 -3.967 -9.583 -0.588 1.00 0.00 C ATOM 400 CG GLN A 28 -5.153 -8.663 -0.883 1.00 0.00 C ATOM 401 CD GLN A 28 -6.444 -9.414 -0.604 1.00 0.00 C ATOM 402 OE1 GLN A 28 -6.987 -10.110 -1.459 1.00 0.00 O ATOM 403 NE2 GLN A 28 -6.912 -9.380 0.629 1.00 0.00 N ATOM 0 H GLN A 28 -3.010 -6.999 -1.068 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.014 -9.485 0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.972 -10.383 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.137 -10.046 0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.097 -7.767 -0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.125 -8.335 -1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.455 -8.799 1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.731 -9.934 0.879 1.00 0.00 H new ATOM 412 N PRO A 29 -1.304 -10.394 -2.205 1.00 0.00 N ATOM 413 CA PRO A 29 -0.548 -10.643 -3.427 1.00 0.00 C ATOM 414 C PRO A 29 -1.474 -10.567 -4.646 1.00 0.00 C ATOM 415 O PRO A 29 -2.691 -10.674 -4.508 1.00 0.00 O ATOM 416 CB PRO A 29 0.075 -12.026 -3.249 1.00 0.00 C ATOM 417 CG PRO A 29 -0.779 -12.723 -2.194 1.00 0.00 C ATOM 418 CD PRO A 29 -1.508 -11.613 -1.442 1.00 0.00 C ATOM 0 HA PRO A 29 0.229 -9.898 -3.600 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.072 -12.582 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.113 -11.950 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.487 -13.411 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.160 -13.311 -1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.570 -11.840 -1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.116 -11.508 -0.430 1.00 0.00 H new ATOM 426 N ASN A 30 -0.889 -10.414 -5.840 1.00 0.00 N ATOM 427 CA ASN A 30 -1.552 -10.341 -7.151 1.00 0.00 C ATOM 428 C ASN A 30 -2.746 -9.362 -7.213 1.00 0.00 C ATOM 429 O ASN A 30 -3.600 -9.494 -8.094 1.00 0.00 O ATOM 430 CB ASN A 30 -1.961 -11.750 -7.638 1.00 0.00 C ATOM 431 CG ASN A 30 -0.811 -12.707 -7.933 1.00 0.00 C ATOM 432 OD1 ASN A 30 0.262 -12.340 -8.412 1.00 0.00 O ATOM 433 ND2 ASN A 30 -1.027 -13.987 -7.703 1.00 0.00 N ATOM 0 H ASN A 30 0.124 -10.333 -5.923 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.808 -9.926 -7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.602 -12.204 -6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.561 -11.642 -8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.305 -14.673 -7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.916 -14.291 -7.306 1.00 0.00 H new ATOM 440 N ILE A 31 -2.876 -8.395 -6.298 1.00 0.00 N ATOM 441 CA ILE A 31 -4.073 -7.554 -6.169 1.00 0.00 C ATOM 442 C ILE A 31 -3.899 -6.236 -6.942 1.00 0.00 C ATOM 443 O ILE A 31 -3.973 -5.138 -6.385 1.00 0.00 O ATOM 444 CB ILE A 31 -4.482 -7.452 -4.686 1.00 0.00 C ATOM 445 CG1 ILE A 31 -5.918 -6.943 -4.474 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.539 -6.571 -3.878 1.00 0.00 C ATOM 447 CD1 ILE A 31 -6.965 -8.037 -4.645 1.00 0.00 C ATOM 0 H ILE A 31 -2.147 -8.172 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.936 -8.011 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.422 -8.480 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.004 -6.518 -3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.121 -6.139 -5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.874 -6.534 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.531 -6.983 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.536 -5.564 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.958 -7.618 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.903 -8.446 -5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.784 -8.831 -3.920 1.00 0.00 H new ATOM 459 N GLY A 32 -3.596 -6.333 -8.232 1.00 0.00 N ATOM 460 CA GLY A 32 -3.480 -5.181 -9.113 1.00 0.00 C ATOM 461 C GLY A 32 -2.072 -4.598 -9.097 1.00 0.00 C ATOM 462 O GLY A 32 -1.369 -4.671 -8.080 1.00 0.00 O ATOM 0 H GLY A 32 -3.423 -7.224 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.741 -5.473 -10.130 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.194 -4.416 -8.808 1.00 0.00 H new ATOM 466 N LEU A 33 -1.657 -3.981 -10.207 1.00 0.00 N ATOM 467 CA LEU A 33 -0.315 -3.424 -10.324 1.00 0.00 C ATOM 468 C LEU A 33 -0.174 -2.195 -9.436 1.00 0.00 C ATOM 469 O LEU A 33 -1.044 -1.328 -9.388 1.00 0.00 O ATOM 470 CB LEU A 33 -0.001 -3.056 -11.781 1.00 0.00 C ATOM 471 CG LEU A 33 1.418 -2.471 -11.980 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.528 -3.430 -11.544 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.574 -2.110 -13.455 1.00 0.00 C ATOM 0 H LEU A 33 -2.236 -3.857 -11.037 1.00 0.00 H new ATOM 0 HA LEU A 33 0.397 -4.183 -9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.109 -3.945 -12.403 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.736 -2.331 -12.130 1.00 0.00 H new ATOM 0 HG LEU A 33 1.520 -1.590 -11.346 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.499 -2.962 -11.708 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.412 -3.663 -10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.465 -4.349 -12.127 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.567 -1.694 -13.625 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.446 -3.005 -14.064 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.820 -1.373 -13.731 1.00 0.00 H new ATOM 485 N LEU A 34 0.968 -2.090 -8.771 1.00 0.00 N ATOM 486 CA LEU A 34 1.446 -0.880 -8.143 1.00 0.00 C ATOM 487 C LEU A 34 2.197 -0.099 -9.217 1.00 0.00 C ATOM 488 O LEU A 34 3.325 -0.458 -9.555 1.00 0.00 O ATOM 489 CB LEU A 34 2.329 -1.312 -6.969 1.00 0.00 C ATOM 490 CG LEU A 34 1.457 -1.831 -5.818 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.974 -3.161 -5.290 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.401 -0.842 -4.667 1.00 0.00 C ATOM 0 H LEU A 34 1.606 -2.877 -8.653 1.00 0.00 H new ATOM 0 HA LEU A 34 0.662 -0.234 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.021 -2.090 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.932 -0.470 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 34 0.455 -1.964 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.335 -3.502 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.965 -3.899 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.993 -3.036 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.774 -1.245 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.407 -0.671 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.981 0.101 -5.017 1.00 0.00 H new ATOM 504 N TYR A 35 1.554 0.907 -9.812 1.00 0.00 N ATOM 505 CA TYR A 35 2.223 1.861 -10.692 1.00 0.00 C ATOM 506 C TYR A 35 3.049 2.833 -9.838 1.00 0.00 C ATOM 507 O TYR A 35 2.923 2.857 -8.608 1.00 0.00 O ATOM 508 CB TYR A 35 1.203 2.562 -11.608 1.00 0.00 C ATOM 509 CG TYR A 35 0.022 3.246 -10.935 1.00 0.00 C ATOM 510 CD1 TYR A 35 -1.142 2.510 -10.637 1.00 0.00 C ATOM 511 CD2 TYR A 35 0.044 4.631 -10.689 1.00 0.00 C ATOM 512 CE1 TYR A 35 -2.272 3.152 -10.098 1.00 0.00 C ATOM 513 CE2 TYR A 35 -1.081 5.281 -10.148 1.00 0.00 C ATOM 514 CZ TYR A 35 -2.248 4.542 -9.848 1.00 0.00 C ATOM 515 OH TYR A 35 -3.350 5.162 -9.338 1.00 0.00 O ATOM 0 H TYR A 35 0.556 1.082 -9.696 1.00 0.00 H new ATOM 0 HA TYR A 35 2.913 1.346 -11.360 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.735 3.308 -12.198 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.812 1.823 -12.307 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.167 1.447 -10.823 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.933 5.201 -10.917 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.161 2.580 -9.875 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.053 6.344 -9.962 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.165 6.118 -9.225 1.00 0.00 H new ATOM 525 N ASP A 36 3.965 3.585 -10.445 1.00 0.00 N ATOM 526 CA ASP A 36 4.697 4.643 -9.745 1.00 0.00 C ATOM 527 C ASP A 36 3.811 5.883 -9.688 1.00 0.00 C ATOM 528 O ASP A 36 3.146 6.229 -10.659 1.00 0.00 O ATOM 529 CB ASP A 36 6.091 4.913 -10.342 1.00 0.00 C ATOM 530 CG ASP A 36 6.144 5.058 -11.862 1.00 0.00 C ATOM 531 OD1 ASP A 36 5.885 6.152 -12.398 1.00 0.00 O ATOM 532 OD2 ASP A 36 6.470 4.039 -12.524 1.00 0.00 O ATOM 0 H ASP A 36 4.220 3.481 -11.427 1.00 0.00 H new ATOM 0 HA ASP A 36 4.913 4.316 -8.728 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.487 5.824 -9.894 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.755 4.100 -10.050 1.00 0.00 H new ATOM 537 N GLY A 37 3.737 6.521 -8.521 1.00 0.00 N ATOM 538 CA GLY A 37 2.890 7.677 -8.254 1.00 0.00 C ATOM 539 C GLY A 37 1.515 7.301 -7.691 1.00 0.00 C ATOM 540 O GLY A 37 0.725 8.200 -7.399 1.00 0.00 O ATOM 0 H GLY A 37 4.285 6.236 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.397 8.335 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.756 8.242 -9.177 1.00 0.00 H new ATOM 544 N MET A 38 1.223 6.006 -7.503 1.00 0.00 N ATOM 545 CA MET A 38 0.047 5.452 -6.865 1.00 0.00 C ATOM 546 C MET A 38 -0.258 6.109 -5.520 1.00 0.00 C ATOM 547 O MET A 38 -1.415 6.425 -5.240 1.00 0.00 O ATOM 548 CB MET A 38 0.303 3.941 -6.713 1.00 0.00 C ATOM 549 CG MET A 38 -0.983 3.159 -6.596 1.00 0.00 C ATOM 550 SD MET A 38 -1.750 3.170 -4.951 1.00 0.00 S ATOM 551 CE MET A 38 -1.825 1.393 -4.600 1.00 0.00 C ATOM 0 H MET A 38 1.858 5.274 -7.821 1.00 0.00 H new ATOM 0 HA MET A 38 -0.836 5.643 -7.475 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.869 3.581 -7.572 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.917 3.764 -5.830 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.698 3.558 -7.315 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.788 2.125 -6.881 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.680 1.226 -3.533 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.798 1.004 -4.899 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.042 0.879 -5.157 1.00 0.00 H new ATOM 561 N PHE A 39 0.771 6.317 -4.698 1.00 0.00 N ATOM 562 CA PHE A 39 0.630 6.845 -3.347 1.00 0.00 C ATOM 563 C PHE A 39 0.844 8.364 -3.280 1.00 0.00 C ATOM 564 O PHE A 39 0.942 8.895 -2.177 1.00 0.00 O ATOM 565 CB PHE A 39 1.584 6.097 -2.404 1.00 0.00 C ATOM 566 CG PHE A 39 1.321 4.608 -2.301 1.00 0.00 C ATOM 567 CD1 PHE A 39 0.173 4.136 -1.636 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.219 3.688 -2.869 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.076 2.755 -1.545 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.985 2.309 -2.765 1.00 0.00 C ATOM 571 CZ PHE A 39 0.835 1.838 -2.104 1.00 0.00 C ATOM 0 H PHE A 39 1.737 6.120 -4.958 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.397 6.677 -3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.608 6.250 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.511 6.536 -1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.519 4.838 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.095 4.045 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.965 2.398 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.687 1.608 -3.192 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.652 0.777 -2.026 1.00 0.00 H new ATOM 581 N SER A 40 0.929 9.070 -4.411 1.00 0.00 N ATOM 582 CA SER A 40 1.214 10.501 -4.444 1.00 0.00 C ATOM 583 C SER A 40 0.160 11.258 -3.642 1.00 0.00 C ATOM 584 O SER A 40 -1.013 11.243 -4.002 1.00 0.00 O ATOM 585 CB SER A 40 1.344 10.965 -5.901 1.00 0.00 C ATOM 586 OG SER A 40 2.051 12.188 -6.022 1.00 0.00 O ATOM 0 H SER A 40 0.800 8.658 -5.335 1.00 0.00 H new ATOM 0 HA SER A 40 2.169 10.718 -3.966 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.855 10.195 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.349 11.080 -6.332 1.00 0.00 H new ATOM 0 HG SER A 40 2.109 12.440 -6.967 1.00 0.00 H new ATOM 592 N GLY A 41 0.564 11.872 -2.527 1.00 0.00 N ATOM 593 CA GLY A 41 -0.334 12.609 -1.651 1.00 0.00 C ATOM 594 C GLY A 41 -0.738 11.838 -0.396 1.00 0.00 C ATOM 595 O GLY A 41 -1.467 12.405 0.423 1.00 0.00 O ATOM 0 H GLY A 41 1.533 11.868 -2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.146 13.542 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.232 12.876 -2.208 1.00 0.00 H new ATOM 599 N CYS A 42 -0.271 10.597 -0.194 1.00 0.00 N ATOM 600 CA CYS A 42 -0.432 9.845 1.057 1.00 0.00 C ATOM 601 C CYS A 42 0.528 10.410 2.116 1.00 0.00 C ATOM 602 O CYS A 42 1.489 9.760 2.537 1.00 0.00 O ATOM 603 CB CYS A 42 -0.180 8.346 0.838 1.00 0.00 C ATOM 604 SG CYS A 42 -1.328 7.662 -0.385 1.00 0.00 S ATOM 0 H CYS A 42 0.239 10.079 -0.910 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.459 9.955 1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.846 8.192 0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.291 7.814 1.783 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.551 7.877 0.000 1.00 0.00 H new ATOM 610 N THR A 43 0.263 11.639 2.542 1.00 0.00 N ATOM 611 CA THR A 43 1.136 12.481 3.343 1.00 0.00 C ATOM 612 C THR A 43 1.207 12.066 4.821 1.00 0.00 C ATOM 613 O THR A 43 1.733 12.832 5.633 1.00 0.00 O ATOM 614 CB THR A 43 0.680 13.939 3.141 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.735 14.058 3.199 1.00 0.00 O ATOM 616 CG2 THR A 43 1.130 14.437 1.762 1.00 0.00 C ATOM 0 H THR A 43 -0.620 12.100 2.323 1.00 0.00 H new ATOM 0 HA THR A 43 2.165 12.364 3.005 1.00 0.00 H new ATOM 0 HB THR A 43 1.127 14.530 3.940 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.990 14.995 3.069 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.805 15.468 1.624 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.217 14.386 1.694 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.688 13.811 0.987 1.00 0.00 H new ATOM 624 N ALA A 44 0.677 10.895 5.196 1.00 0.00 N ATOM 625 CA ALA A 44 0.878 10.288 6.509 1.00 0.00 C ATOM 626 C ALA A 44 1.286 8.811 6.429 1.00 0.00 C ATOM 627 O ALA A 44 1.217 8.135 7.446 1.00 0.00 O ATOM 628 CB ALA A 44 -0.413 10.422 7.318 1.00 0.00 C ATOM 0 H ALA A 44 0.086 10.336 4.581 1.00 0.00 H new ATOM 0 HA ALA A 44 1.700 10.815 6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.275 9.972 8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.662 11.477 7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.224 9.913 6.797 1.00 0.00 H new ATOM 634 N LEU A 45 1.637 8.262 5.260 1.00 0.00 N ATOM 635 CA LEU A 45 1.941 6.832 5.143 1.00 0.00 C ATOM 636 C LEU A 45 3.214 6.510 5.928 1.00 0.00 C ATOM 637 O LEU A 45 4.271 7.039 5.588 1.00 0.00 O ATOM 638 CB LEU A 45 2.083 6.432 3.662 1.00 0.00 C ATOM 639 CG LEU A 45 1.514 5.033 3.339 1.00 0.00 C ATOM 640 CD1 LEU A 45 1.257 4.916 1.826 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.847 3.707 4.022 1.00 0.00 C ATOM 0 H LEU A 45 1.717 8.783 4.387 1.00 0.00 H new ATOM 0 HA LEU A 45 1.119 6.253 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.575 7.173 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.138 6.458 3.387 1.00 0.00 H new ATOM 0 HG LEU A 45 0.657 5.110 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.856 3.928 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.540 5.678 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.193 5.059 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.274 2.904 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.912 3.501 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.593 3.769 5.080 1.00 0.00 H new ATOM 653 N GLU A 46 3.128 5.641 6.940 1.00 0.00 N ATOM 654 CA GLU A 46 4.280 5.223 7.741 1.00 0.00 C ATOM 655 C GLU A 46 4.422 3.693 7.781 1.00 0.00 C ATOM 656 O GLU A 46 5.460 3.199 8.209 1.00 0.00 O ATOM 657 CB GLU A 46 4.231 5.817 9.169 1.00 0.00 C ATOM 658 CG GLU A 46 4.054 7.345 9.168 1.00 0.00 C ATOM 659 CD GLU A 46 4.371 8.045 10.492 1.00 0.00 C ATOM 660 OE1 GLU A 46 3.444 8.302 11.305 1.00 0.00 O ATOM 661 OE2 GLU A 46 5.513 8.530 10.639 1.00 0.00 O ATOM 0 H GLU A 46 2.251 5.206 7.227 1.00 0.00 H new ATOM 0 HA GLU A 46 5.168 5.622 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.409 5.360 9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.150 5.562 9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.692 7.767 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.024 7.574 8.893 1.00 0.00 H new ATOM 668 N LYS A 47 3.429 2.912 7.331 1.00 0.00 N ATOM 669 CA LYS A 47 3.409 1.454 7.439 1.00 0.00 C ATOM 670 C LYS A 47 2.573 0.825 6.323 1.00 0.00 C ATOM 671 O LYS A 47 1.538 1.349 5.922 1.00 0.00 O ATOM 672 CB LYS A 47 2.818 1.076 8.815 1.00 0.00 C ATOM 673 CG LYS A 47 3.839 0.457 9.776 1.00 0.00 C ATOM 674 CD LYS A 47 4.170 -0.999 9.392 1.00 0.00 C ATOM 675 CE LYS A 47 3.766 -1.984 10.498 1.00 0.00 C ATOM 676 NZ LYS A 47 4.800 -2.144 11.542 1.00 0.00 N ATOM 0 H LYS A 47 2.600 3.290 6.872 1.00 0.00 H new ATOM 0 HA LYS A 47 4.426 1.075 7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.394 1.968 9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.998 0.373 8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.752 1.052 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.447 0.486 10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.654 -1.258 8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.238 -1.090 9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.841 -1.640 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.557 -2.956 10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.468 -2.821 12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.677 -2.499 11.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.984 -1.225 11.992 1.00 0.00 H new ATOM 690 N LEU A 48 2.971 -0.355 5.868 1.00 0.00 N ATOM 691 CA LEU A 48 2.323 -1.148 4.839 1.00 0.00 C ATOM 692 C LEU A 48 2.563 -2.613 5.207 1.00 0.00 C ATOM 693 O LEU A 48 3.649 -2.947 5.685 1.00 0.00 O ATOM 694 CB LEU A 48 2.938 -0.775 3.476 1.00 0.00 C ATOM 695 CG LEU A 48 2.261 -1.471 2.279 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.639 -0.455 1.314 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.256 -2.323 1.498 1.00 0.00 C ATOM 0 H LEU A 48 3.808 -0.810 6.232 1.00 0.00 H new ATOM 0 HA LEU A 48 1.250 -0.967 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.873 0.305 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.997 -1.032 3.483 1.00 0.00 H new ATOM 0 HG LEU A 48 1.478 -2.105 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.171 -0.982 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.887 0.133 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.416 0.207 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.747 -2.800 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.060 -1.690 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.673 -3.088 2.153 1.00 0.00 H new ATOM 709 N ILE A 49 1.578 -3.490 5.013 1.00 0.00 N ATOM 710 CA ILE A 49 1.640 -4.898 5.411 1.00 0.00 C ATOM 711 C ILE A 49 1.221 -5.738 4.208 1.00 0.00 C ATOM 712 O ILE A 49 0.313 -5.351 3.471 1.00 0.00 O ATOM 713 CB ILE A 49 0.759 -5.181 6.656 1.00 0.00 C ATOM 714 CG1 ILE A 49 1.077 -4.235 7.839 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.958 -6.637 7.122 1.00 0.00 C ATOM 716 CD1 ILE A 49 0.144 -3.019 7.925 1.00 0.00 C ATOM 0 H ILE A 49 0.697 -3.237 4.566 1.00 0.00 H new ATOM 0 HA ILE A 49 2.656 -5.160 5.707 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.274 -5.008 6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.012 -4.798 8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.106 -3.887 7.748 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.336 -6.827 7.997 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.674 -7.318 6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.005 -6.797 7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.428 -2.402 8.778 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.226 -2.432 7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.885 -3.358 8.048 1.00 0.00 H new ATOM 728 N LEU A 50 1.880 -6.877 3.997 1.00 0.00 N ATOM 729 CA LEU A 50 1.752 -7.695 2.796 1.00 0.00 C ATOM 730 C LEU A 50 1.318 -9.106 3.188 1.00 0.00 C ATOM 731 O LEU A 50 2.132 -9.880 3.673 1.00 0.00 O ATOM 732 CB LEU A 50 3.097 -7.714 2.031 1.00 0.00 C ATOM 733 CG LEU A 50 3.594 -6.345 1.522 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.814 -6.510 0.608 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.522 -5.596 0.731 1.00 0.00 C ATOM 0 H LEU A 50 2.535 -7.265 4.676 1.00 0.00 H new ATOM 0 HA LEU A 50 0.994 -7.272 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.860 -8.137 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.000 -8.385 1.178 1.00 0.00 H new ATOM 0 HG LEU A 50 3.853 -5.772 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.145 -5.531 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.621 -6.991 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.545 -7.126 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.920 -4.639 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.226 -6.190 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.654 -5.424 1.367 1.00 0.00 H new ATOM 747 N THR A 51 0.050 -9.461 2.987 1.00 0.00 N ATOM 748 CA THR A 51 -0.542 -10.755 3.356 1.00 0.00 C ATOM 749 C THR A 51 -0.177 -11.893 2.377 1.00 0.00 C ATOM 750 O THR A 51 -1.027 -12.699 1.987 1.00 0.00 O ATOM 751 CB THR A 51 -2.068 -10.596 3.545 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.729 -10.218 2.359 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.437 -9.449 4.475 1.00 0.00 C ATOM 0 H THR A 51 -0.623 -8.834 2.546 1.00 0.00 H new ATOM 0 HA THR A 51 -0.108 -11.063 4.307 1.00 0.00 H new ATOM 0 HB THR A 51 -2.362 -11.576 3.921 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.568 -9.268 2.183 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.522 -9.389 4.567 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.999 -9.622 5.458 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.055 -8.513 4.067 1.00 0.00 H new ATOM 761 N GLY A 52 1.062 -11.943 1.882 1.00 0.00 N ATOM 762 CA GLY A 52 1.496 -12.987 0.961 1.00 0.00 C ATOM 763 C GLY A 52 2.955 -13.334 1.200 1.00 0.00 C ATOM 764 O GLY A 52 3.722 -12.501 1.690 1.00 0.00 O ATOM 0 H GLY A 52 1.787 -11.263 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.879 -13.876 1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.359 -12.653 -0.067 1.00 0.00 H new ATOM 768 N GLU A 53 3.324 -14.565 0.860 1.00 0.00 N ATOM 769 CA GLU A 53 4.500 -15.230 1.397 1.00 0.00 C ATOM 770 C GLU A 53 5.648 -15.378 0.393 1.00 0.00 C ATOM 771 O GLU A 53 6.678 -15.973 0.720 1.00 0.00 O ATOM 772 CB GLU A 53 4.076 -16.520 2.107 1.00 0.00 C ATOM 773 CG GLU A 53 3.771 -17.597 1.075 1.00 0.00 C ATOM 774 CD GLU A 53 2.605 -18.507 1.480 1.00 0.00 C ATOM 775 OE1 GLU A 53 2.608 -19.061 2.609 1.00 0.00 O ATOM 776 OE2 GLU A 53 1.630 -18.622 0.704 1.00 0.00 O ATOM 0 H GLU A 53 2.804 -15.135 0.193 1.00 0.00 H new ATOM 0 HA GLU A 53 4.951 -14.584 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.869 -16.857 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.197 -16.335 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.539 -17.123 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.662 -18.206 0.920 1.00 0.00 H new ATOM 783 N ASP A 54 5.519 -14.828 -0.813 1.00 0.00 N ATOM 784 CA ASP A 54 6.545 -14.850 -1.830 1.00 0.00 C ATOM 785 C ASP A 54 6.633 -13.502 -2.567 1.00 0.00 C ATOM 786 O ASP A 54 5.596 -12.869 -2.787 1.00 0.00 O ATOM 787 CB ASP A 54 6.211 -16.001 -2.774 1.00 0.00 C ATOM 788 CG ASP A 54 5.666 -15.634 -4.149 1.00 0.00 C ATOM 789 OD1 ASP A 54 6.405 -15.048 -4.963 1.00 0.00 O ATOM 790 OD2 ASP A 54 4.552 -16.122 -4.469 1.00 0.00 O ATOM 0 H ASP A 54 4.671 -14.344 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 54 7.528 -15.004 -1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.114 -16.596 -2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.481 -16.642 -2.281 1.00 0.00 H new ATOM 795 N PRO A 55 7.842 -13.060 -2.967 1.00 0.00 N ATOM 796 CA PRO A 55 8.063 -11.733 -3.533 1.00 0.00 C ATOM 797 C PRO A 55 7.723 -11.588 -5.027 1.00 0.00 C ATOM 798 O PRO A 55 7.484 -10.459 -5.465 1.00 0.00 O ATOM 799 CB PRO A 55 9.549 -11.451 -3.312 1.00 0.00 C ATOM 800 CG PRO A 55 10.205 -12.827 -3.233 1.00 0.00 C ATOM 801 CD PRO A 55 9.108 -13.720 -2.677 1.00 0.00 C ATOM 0 HA PRO A 55 7.392 -11.028 -3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.965 -10.862 -4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.711 -10.883 -2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.540 -13.167 -4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.080 -12.816 -2.583 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.143 -14.708 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.233 -13.863 -1.604 1.00 0.00 H new ATOM 809 N SER A 56 7.694 -12.669 -5.816 1.00 0.00 N ATOM 810 CA SER A 56 7.250 -12.591 -7.212 1.00 0.00 C ATOM 811 C SER A 56 5.770 -12.207 -7.265 1.00 0.00 C ATOM 812 O SER A 56 5.370 -11.454 -8.149 1.00 0.00 O ATOM 813 CB SER A 56 7.457 -13.921 -7.954 1.00 0.00 C ATOM 814 OG SER A 56 8.778 -14.083 -8.441 1.00 0.00 O ATOM 0 H SER A 56 7.971 -13.603 -5.513 1.00 0.00 H new ATOM 0 HA SER A 56 7.854 -11.830 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.219 -14.746 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.758 -13.978 -8.789 1.00 0.00 H new ATOM 0 HG SER A 56 8.853 -14.945 -8.902 1.00 0.00 H new ATOM 820 N ALA A 57 4.963 -12.703 -6.324 1.00 0.00 N ATOM 821 CA ALA A 57 3.530 -12.446 -6.269 1.00 0.00 C ATOM 822 C ALA A 57 3.153 -11.013 -5.849 1.00 0.00 C ATOM 823 O ALA A 57 1.965 -10.739 -5.654 1.00 0.00 O ATOM 824 CB ALA A 57 2.894 -13.492 -5.350 1.00 0.00 C ATOM 0 H ALA A 57 5.296 -13.303 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 57 3.138 -12.532 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.819 -13.320 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.081 -14.489 -5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.328 -13.413 -4.353 1.00 0.00 H new ATOM 830 N TYR A 58 4.117 -10.101 -5.713 1.00 0.00 N ATOM 831 CA TYR A 58 3.886 -8.708 -5.370 1.00 0.00 C ATOM 832 C TYR A 58 4.552 -7.817 -6.394 1.00 0.00 C ATOM 833 O TYR A 58 5.746 -7.957 -6.656 1.00 0.00 O ATOM 834 CB TYR A 58 4.425 -8.414 -3.973 1.00 0.00 C ATOM 835 CG TYR A 58 3.403 -8.704 -2.908 1.00 0.00 C ATOM 836 CD1 TYR A 58 2.361 -7.790 -2.682 1.00 0.00 C ATOM 837 CD2 TYR A 58 3.478 -9.882 -2.160 1.00 0.00 C ATOM 838 CE1 TYR A 58 1.418 -8.023 -1.670 1.00 0.00 C ATOM 839 CE2 TYR A 58 2.533 -10.126 -1.156 1.00 0.00 C ATOM 840 CZ TYR A 58 1.507 -9.200 -0.900 1.00 0.00 C ATOM 841 OH TYR A 58 0.612 -9.437 0.090 1.00 0.00 O ATOM 0 H TYR A 58 5.104 -10.323 -5.843 1.00 0.00 H new ATOM 0 HA TYR A 58 2.814 -8.509 -5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.317 -9.014 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.727 -7.368 -3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.285 -6.902 -3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.261 -10.600 -2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.631 -7.307 -1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.593 -11.033 -0.573 1.00 0.00 H new ATOM 0 HH TYR A 58 0.131 -8.610 0.301 1.00 0.00 H new ATOM 851 N SER A 59 3.788 -6.874 -6.941 1.00 0.00 N ATOM 852 CA SER A 59 4.226 -5.979 -8.000 1.00 0.00 C ATOM 853 C SER A 59 4.861 -4.718 -7.417 1.00 0.00 C ATOM 854 O SER A 59 4.634 -4.398 -6.244 1.00 0.00 O ATOM 855 CB SER A 59 3.007 -5.557 -8.834 1.00 0.00 C ATOM 856 OG SER A 59 1.925 -6.458 -8.737 1.00 0.00 O ATOM 0 H SER A 59 2.824 -6.710 -6.650 1.00 0.00 H new ATOM 0 HA SER A 59 4.960 -6.503 -8.613 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.678 -4.569 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.304 -5.468 -9.879 1.00 0.00 H new ATOM 0 HG SER A 59 1.180 -6.136 -9.287 1.00 0.00 H new ATOM 862 N ALA A 60 5.535 -3.955 -8.275 1.00 0.00 N ATOM 863 CA ALA A 60 5.773 -2.523 -8.177 1.00 0.00 C ATOM 864 C ALA A 60 6.272 -2.020 -9.530 1.00 0.00 C ATOM 865 O ALA A 60 6.638 -2.815 -10.406 1.00 0.00 O ATOM 866 CB ALA A 60 6.793 -2.212 -7.081 1.00 0.00 C ATOM 0 H ALA A 60 5.957 -4.352 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 60 4.844 -2.018 -7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.953 -1.135 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.418 -2.571 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.736 -2.708 -7.310 1.00 0.00 H new ATOM 872 N GLY A 61 6.294 -0.702 -9.685 1.00 0.00 N ATOM 873 CA GLY A 61 7.103 0.020 -10.641 1.00 0.00 C ATOM 874 C GLY A 61 8.400 0.415 -9.963 1.00 0.00 C ATOM 875 O GLY A 61 8.627 0.106 -8.791 1.00 0.00 O ATOM 0 H GLY A 61 5.717 -0.083 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.304 -0.601 -11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.574 0.905 -10.995 1.00 0.00 H new ATOM 879 N ASP A 62 9.235 1.136 -10.700 1.00 0.00 N ATOM 880 CA ASP A 62 10.578 1.546 -10.297 1.00 0.00 C ATOM 881 C ASP A 62 10.525 2.222 -8.929 1.00 0.00 C ATOM 882 O ASP A 62 11.294 1.905 -8.013 1.00 0.00 O ATOM 883 CB ASP A 62 11.076 2.521 -11.364 1.00 0.00 C ATOM 884 CG ASP A 62 12.531 2.951 -11.181 1.00 0.00 C ATOM 885 OD1 ASP A 62 12.901 3.386 -10.064 1.00 0.00 O ATOM 886 OD2 ASP A 62 13.278 2.868 -12.181 1.00 0.00 O ATOM 0 H ASP A 62 8.987 1.465 -11.633 1.00 0.00 H new ATOM 0 HA ASP A 62 11.249 0.691 -10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.965 2.058 -12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.442 3.408 -11.356 1.00 0.00 H new ATOM 891 N GLY A 63 9.533 3.103 -8.800 1.00 0.00 N ATOM 892 CA GLY A 63 9.192 3.861 -7.631 1.00 0.00 C ATOM 893 C GLY A 63 7.916 3.314 -7.020 1.00 0.00 C ATOM 894 O GLY A 63 6.830 3.845 -7.259 1.00 0.00 O ATOM 0 H GLY A 63 8.908 3.309 -9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.004 3.813 -6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.060 4.911 -7.892 1.00 0.00 H new ATOM 898 N LEU A 64 8.029 2.246 -6.231 1.00 0.00 N ATOM 899 CA LEU A 64 6.930 1.687 -5.442 1.00 0.00 C ATOM 900 C LEU A 64 6.277 2.794 -4.615 1.00 0.00 C ATOM 901 O LEU A 64 5.103 3.130 -4.794 1.00 0.00 O ATOM 902 CB LEU A 64 7.454 0.550 -4.554 1.00 0.00 C ATOM 903 CG LEU A 64 6.447 0.063 -3.494 1.00 0.00 C ATOM 904 CD1 LEU A 64 5.100 -0.387 -4.073 1.00 0.00 C ATOM 905 CD2 LEU A 64 7.063 -1.108 -2.742 1.00 0.00 C ATOM 0 H LEU A 64 8.904 1.734 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 64 6.171 1.270 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.734 -0.292 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.361 0.885 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 64 6.242 0.913 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.447 -0.715 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.634 0.446 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.260 -1.212 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.362 -1.465 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.284 -1.914 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.985 -0.785 -2.258 1.00 0.00 H new ATOM 917 N ARG A 65 7.055 3.366 -3.702 1.00 0.00 N ATOM 918 CA ARG A 65 6.619 4.368 -2.738 1.00 0.00 C ATOM 919 C ARG A 65 6.690 5.785 -3.307 1.00 0.00 C ATOM 920 O ARG A 65 6.725 6.733 -2.531 1.00 0.00 O ATOM 921 CB ARG A 65 7.449 4.219 -1.448 1.00 0.00 C ATOM 922 CG ARG A 65 8.973 4.327 -1.668 1.00 0.00 C ATOM 923 CD ARG A 65 9.637 5.397 -0.806 1.00 0.00 C ATOM 924 NE ARG A 65 9.401 6.757 -1.320 1.00 0.00 N ATOM 925 CZ ARG A 65 10.213 7.802 -1.123 1.00 0.00 C ATOM 926 NH1 ARG A 65 11.147 7.747 -0.184 1.00 0.00 N ATOM 927 NH2 ARG A 65 10.092 8.909 -1.838 1.00 0.00 N ATOM 0 H ARG A 65 8.044 3.135 -3.610 1.00 0.00 H new ATOM 0 HA ARG A 65 5.568 4.198 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.139 4.986 -0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.225 3.254 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.433 3.362 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.166 4.546 -2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.258 5.326 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.710 5.209 -0.761 1.00 0.00 H new ATOM 0 HE ARG A 65 8.555 6.914 -1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.246 6.908 0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.766 8.543 -0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.370 8.977 -2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.721 9.695 -1.672 1.00 0.00 H new ATOM 941 N ASP A 66 6.779 5.943 -4.628 1.00 0.00 N ATOM 942 CA ASP A 66 6.836 7.255 -5.263 1.00 0.00 C ATOM 943 C ASP A 66 5.628 8.081 -4.822 1.00 0.00 C ATOM 944 O ASP A 66 4.491 7.604 -4.901 1.00 0.00 O ATOM 945 CB ASP A 66 6.852 7.094 -6.782 1.00 0.00 C ATOM 946 CG ASP A 66 7.036 8.437 -7.484 1.00 0.00 C ATOM 947 OD1 ASP A 66 6.075 9.244 -7.544 1.00 0.00 O ATOM 948 OD2 ASP A 66 8.154 8.702 -7.959 1.00 0.00 O ATOM 0 H ASP A 66 6.813 5.164 -5.285 1.00 0.00 H new ATOM 0 HA ASP A 66 7.747 7.772 -4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.658 6.419 -7.069 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.919 6.635 -7.110 1.00 0.00 H new ATOM 953 N GLY A 67 5.877 9.286 -4.319 1.00 0.00 N ATOM 954 CA GLY A 67 4.852 10.216 -3.880 1.00 0.00 C ATOM 955 C GLY A 67 4.440 10.035 -2.411 1.00 0.00 C ATOM 956 O GLY A 67 3.563 10.756 -1.937 1.00 0.00 O ATOM 0 H GLY A 67 6.823 9.649 -4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.213 11.234 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.972 10.097 -4.512 1.00 0.00 H new ATOM 960 N ALA A 68 5.059 9.093 -1.692 1.00 0.00 N ATOM 961 CA ALA A 68 4.955 8.886 -0.251 1.00 0.00 C ATOM 962 C ALA A 68 6.339 8.474 0.253 1.00 0.00 C ATOM 963 O ALA A 68 7.337 8.706 -0.430 1.00 0.00 O ATOM 964 CB ALA A 68 3.881 7.829 0.036 1.00 0.00 C ATOM 0 H ALA A 68 5.683 8.416 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 68 4.649 9.792 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.802 7.673 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.922 8.170 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.155 6.891 -0.447 1.00 0.00 H new ATOM 970 N ASP A 69 6.442 7.928 1.463 1.00 0.00 N ATOM 971 CA ASP A 69 7.639 7.262 1.972 1.00 0.00 C ATOM 972 C ASP A 69 7.241 6.526 3.242 1.00 0.00 C ATOM 973 O ASP A 69 7.069 7.165 4.275 1.00 0.00 O ATOM 974 CB ASP A 69 8.772 8.249 2.275 1.00 0.00 C ATOM 975 CG ASP A 69 9.986 7.525 2.859 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.427 6.505 2.291 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.601 8.041 3.822 1.00 0.00 O ATOM 0 H ASP A 69 5.674 7.937 2.135 1.00 0.00 H new ATOM 0 HA ASP A 69 8.018 6.579 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.059 8.770 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.422 9.006 2.977 1.00 0.00 H new ATOM 982 N PHE A 70 7.003 5.217 3.138 1.00 0.00 N ATOM 983 CA PHE A 70 6.388 4.393 4.173 1.00 0.00 C ATOM 984 C PHE A 70 7.222 3.129 4.381 1.00 0.00 C ATOM 985 O PHE A 70 8.083 2.785 3.567 1.00 0.00 O ATOM 986 CB PHE A 70 4.946 4.082 3.726 1.00 0.00 C ATOM 987 CG PHE A 70 4.851 3.353 2.392 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.161 1.980 2.265 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.459 4.081 1.255 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.046 1.358 1.008 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.323 3.451 0.010 1.00 0.00 C ATOM 992 CZ PHE A 70 4.619 2.086 -0.114 1.00 0.00 C ATOM 0 H PHE A 70 7.243 4.686 2.301 1.00 0.00 H new ATOM 0 HA PHE A 70 6.353 4.909 5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.462 3.478 4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.389 5.016 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.484 1.413 3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.260 5.139 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.289 0.311 0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.992 4.014 -0.850 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.519 1.596 -1.071 1.00 0.00 H new ATOM 1002 N LEU A 71 6.913 2.400 5.447 1.00 0.00 N ATOM 1003 CA LEU A 71 7.603 1.174 5.860 1.00 0.00 C ATOM 1004 C LEU A 71 6.820 -0.043 5.377 1.00 0.00 C ATOM 1005 O LEU A 71 5.602 0.027 5.251 1.00 0.00 O ATOM 1006 CB LEU A 71 7.656 1.171 7.390 1.00 0.00 C ATOM 1007 CG LEU A 71 8.660 0.217 8.049 1.00 0.00 C ATOM 1008 CD1 LEU A 71 10.087 0.755 7.884 1.00 0.00 C ATOM 1009 CD2 LEU A 71 8.289 0.131 9.537 1.00 0.00 C ATOM 0 H LEU A 71 6.148 2.652 6.073 1.00 0.00 H new ATOM 0 HA LEU A 71 8.606 1.135 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.882 2.184 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.661 0.927 7.763 1.00 0.00 H new ATOM 0 HG LEU A 71 8.623 -0.769 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.791 0.070 8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.322 0.844 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.163 1.735 8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.981 -0.540 10.046 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.350 1.123 9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.273 -0.251 9.637 1.00 0.00 H new ATOM 1021 N ILE A 72 7.479 -1.174 5.148 1.00 0.00 N ATOM 1022 CA ILE A 72 6.884 -2.393 4.581 1.00 0.00 C ATOM 1023 C ILE A 72 7.099 -3.566 5.550 1.00 0.00 C ATOM 1024 O ILE A 72 8.170 -3.728 6.134 1.00 0.00 O ATOM 1025 CB ILE A 72 7.461 -2.650 3.168 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.110 -1.467 2.232 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.944 -3.978 2.576 1.00 0.00 C ATOM 1028 CD1 ILE A 72 7.815 -1.439 0.872 1.00 0.00 C ATOM 0 H ILE A 72 8.472 -1.277 5.356 1.00 0.00 H new ATOM 0 HA ILE A 72 5.807 -2.275 4.460 1.00 0.00 H new ATOM 0 HB ILE A 72 8.545 -2.730 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.034 -1.477 2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.340 -0.539 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.370 -4.124 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.239 -4.804 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.857 -3.945 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.487 -0.565 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.893 -1.390 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.567 -2.343 0.315 1.00 0.00 H new ATOM 1040 N CYS A 73 6.076 -4.412 5.728 1.00 0.00 N ATOM 1041 CA CYS A 73 6.144 -5.624 6.541 1.00 0.00 C ATOM 1042 C CYS A 73 5.665 -6.827 5.728 1.00 0.00 C ATOM 1043 O CYS A 73 4.738 -6.690 4.924 1.00 0.00 O ATOM 1044 CB CYS A 73 5.313 -5.475 7.821 1.00 0.00 C ATOM 1045 SG CYS A 73 5.734 -3.930 8.667 1.00 0.00 S ATOM 0 H CYS A 73 5.161 -4.266 5.300 1.00 0.00 H new ATOM 0 HA CYS A 73 7.182 -5.785 6.833 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.251 -5.486 7.577 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.497 -6.322 8.483 1.00 0.00 H new ATOM 0 HG CYS A 73 5.770 -4.134 9.950 1.00 0.00 H new ATOM 1051 N VAL A 74 6.272 -7.991 5.960 1.00 0.00 N ATOM 1052 CA VAL A 74 6.047 -9.240 5.229 1.00 0.00 C ATOM 1053 C VAL A 74 5.876 -10.376 6.244 1.00 0.00 C ATOM 1054 O VAL A 74 6.321 -10.210 7.382 1.00 0.00 O ATOM 1055 CB VAL A 74 7.230 -9.503 4.272 1.00 0.00 C ATOM 1056 CG1 VAL A 74 7.337 -8.394 3.218 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.582 -9.670 4.984 1.00 0.00 C ATOM 0 H VAL A 74 6.968 -8.094 6.699 1.00 0.00 H new ATOM 0 HA VAL A 74 5.143 -9.175 4.623 1.00 0.00 H new ATOM 0 HB VAL A 74 7.008 -10.456 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.177 -8.601 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.417 -8.356 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.493 -7.435 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.362 -9.851 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.814 -8.763 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.530 -10.515 5.671 1.00 0.00 H new ATOM 1067 N PRO A 75 5.254 -11.517 5.905 1.00 0.00 N ATOM 1068 CA PRO A 75 5.010 -12.545 6.898 1.00 0.00 C ATOM 1069 C PRO A 75 6.332 -13.155 7.363 1.00 0.00 C ATOM 1070 O PRO A 75 7.291 -13.266 6.594 1.00 0.00 O ATOM 1071 CB PRO A 75 4.101 -13.581 6.233 1.00 0.00 C ATOM 1072 CG PRO A 75 4.242 -13.337 4.740 1.00 0.00 C ATOM 1073 CD PRO A 75 4.675 -11.878 4.626 1.00 0.00 C ATOM 0 HA PRO A 75 4.529 -12.143 7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.402 -14.595 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.067 -13.462 6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.981 -14.005 4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.301 -13.513 4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.400 -11.751 3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.824 -11.238 4.391 1.00 0.00 H new ATOM 1081 N GLU A 76 6.373 -13.589 8.621 1.00 0.00 N ATOM 1082 CA GLU A 76 7.573 -14.114 9.269 1.00 0.00 C ATOM 1083 C GLU A 76 8.152 -15.355 8.581 1.00 0.00 C ATOM 1084 O GLU A 76 9.336 -15.648 8.745 1.00 0.00 O ATOM 1085 CB GLU A 76 7.262 -14.395 10.743 1.00 0.00 C ATOM 1086 CG GLU A 76 6.370 -15.632 10.960 1.00 0.00 C ATOM 1087 CD GLU A 76 5.711 -15.577 12.332 1.00 0.00 C ATOM 1088 OE1 GLU A 76 6.392 -15.843 13.340 1.00 0.00 O ATOM 1089 OE2 GLU A 76 4.518 -15.193 12.413 1.00 0.00 O ATOM 0 H GLU A 76 5.556 -13.585 9.231 1.00 0.00 H new ATOM 0 HA GLU A 76 8.349 -13.353 9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.198 -14.533 11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.771 -13.523 11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.606 -15.678 10.184 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.968 -16.539 10.873 1.00 0.00 H new ATOM 1096 N GLU A 77 7.337 -16.086 7.820 1.00 0.00 N ATOM 1097 CA GLU A 77 7.731 -17.263 7.071 1.00 0.00 C ATOM 1098 C GLU A 77 8.401 -16.904 5.745 1.00 0.00 C ATOM 1099 O GLU A 77 9.154 -17.711 5.189 1.00 0.00 O ATOM 1100 CB GLU A 77 6.457 -18.060 6.782 1.00 0.00 C ATOM 1101 CG GLU A 77 5.926 -18.786 8.020 1.00 0.00 C ATOM 1102 CD GLU A 77 5.310 -20.136 7.655 1.00 0.00 C ATOM 1103 OE1 GLU A 77 4.335 -20.181 6.863 1.00 0.00 O ATOM 1104 OE2 GLU A 77 5.849 -21.152 8.138 1.00 0.00 O ATOM 0 H GLU A 77 6.349 -15.860 7.709 1.00 0.00 H new ATOM 0 HA GLU A 77 8.453 -17.833 7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.689 -17.386 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.658 -18.788 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.738 -18.936 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.179 -18.165 8.515 1.00 0.00 H new ATOM 1111 N ALA A 78 8.132 -15.704 5.232 1.00 0.00 N ATOM 1112 CA ALA A 78 8.627 -15.208 3.957 1.00 0.00 C ATOM 1113 C ALA A 78 9.798 -14.243 4.137 1.00 0.00 C ATOM 1114 O ALA A 78 10.316 -13.719 3.155 1.00 0.00 O ATOM 1115 CB ALA A 78 7.480 -14.503 3.258 1.00 0.00 C ATOM 0 H ALA A 78 7.540 -15.028 5.715 1.00 0.00 H new ATOM 0 HA ALA A 78 8.993 -16.047 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.821 -14.119 2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.663 -15.207 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.131 -13.676 3.876 1.00 0.00 H new ATOM 1121 N LEU A 79 10.192 -13.953 5.377 1.00 0.00 N ATOM 1122 CA LEU A 79 11.075 -12.839 5.689 1.00 0.00 C ATOM 1123 C LEU A 79 12.411 -12.940 4.947 1.00 0.00 C ATOM 1124 O LEU A 79 12.842 -11.967 4.327 1.00 0.00 O ATOM 1125 CB LEU A 79 11.252 -12.784 7.208 1.00 0.00 C ATOM 1126 CG LEU A 79 12.030 -11.551 7.695 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.316 -10.231 7.371 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.177 -11.694 9.212 1.00 0.00 C ATOM 0 H LEU A 79 9.904 -14.490 6.195 1.00 0.00 H new ATOM 0 HA LEU A 79 10.628 -11.906 5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.270 -12.792 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.772 -13.684 7.537 1.00 0.00 H new ATOM 0 HG LEU A 79 12.993 -11.512 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.912 -9.395 7.738 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.191 -10.140 6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.338 -10.219 7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.725 -10.839 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.189 -11.735 9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.721 -12.610 9.440 1.00 0.00 H new ATOM 1140 N ASP A 80 13.045 -14.114 4.969 1.00 0.00 N ATOM 1141 CA ASP A 80 14.245 -14.377 4.163 1.00 0.00 C ATOM 1142 C ASP A 80 13.904 -14.405 2.680 1.00 0.00 C ATOM 1143 O ASP A 80 14.614 -13.808 1.885 1.00 0.00 O ATOM 1144 CB ASP A 80 14.844 -15.726 4.534 1.00 0.00 C ATOM 1145 CG ASP A 80 16.006 -16.155 3.636 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.088 -15.533 3.660 1.00 0.00 O ATOM 1147 OD2 ASP A 80 15.834 -17.195 2.944 1.00 0.00 O ATOM 0 H ASP A 80 12.747 -14.905 5.540 1.00 0.00 H new ATOM 0 HA ASP A 80 14.958 -13.577 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.191 -15.687 5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.063 -16.485 4.488 1.00 0.00 H new ATOM 1152 N ARG A 81 12.804 -15.059 2.305 1.00 0.00 N ATOM 1153 CA ARG A 81 12.306 -15.158 0.925 1.00 0.00 C ATOM 1154 C ARG A 81 12.304 -13.795 0.227 1.00 0.00 C ATOM 1155 O ARG A 81 12.921 -13.664 -0.827 1.00 0.00 O ATOM 1156 CB ARG A 81 10.904 -15.806 0.913 1.00 0.00 C ATOM 1157 CG ARG A 81 10.863 -17.158 0.199 1.00 0.00 C ATOM 1158 CD ARG A 81 9.480 -17.800 0.391 1.00 0.00 C ATOM 1159 NE ARG A 81 9.456 -19.192 -0.083 1.00 0.00 N ATOM 1160 CZ ARG A 81 9.129 -19.616 -1.311 1.00 0.00 C ATOM 1161 NH1 ARG A 81 8.714 -18.764 -2.246 1.00 0.00 N ATOM 1162 NH2 ARG A 81 9.225 -20.901 -1.618 1.00 0.00 N ATOM 0 H ARG A 81 12.212 -15.552 2.973 1.00 0.00 H new ATOM 0 HA ARG A 81 12.984 -15.798 0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.564 -15.936 1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.203 -15.127 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.070 -17.026 -0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.638 -17.814 0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.208 -17.770 1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.731 -17.219 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 81 9.715 -19.910 0.594 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.641 -17.769 -2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.470 -19.106 -3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.548 -21.570 -0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.976 -21.222 -2.554 1.00 0.00 H new ATOM 1176 N TYR A 82 11.655 -12.775 0.798 1.00 0.00 N ATOM 1177 CA TYR A 82 11.659 -11.428 0.230 1.00 0.00 C ATOM 1178 C TYR A 82 13.077 -10.852 0.221 1.00 0.00 C ATOM 1179 O TYR A 82 13.473 -10.222 -0.757 1.00 0.00 O ATOM 1180 CB TYR A 82 10.742 -10.485 1.027 1.00 0.00 C ATOM 1181 CG TYR A 82 9.256 -10.582 0.729 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.464 -11.497 1.439 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.646 -9.700 -0.187 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.073 -11.533 1.265 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.247 -9.709 -0.352 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.459 -10.614 0.395 1.00 0.00 C ATOM 1187 OH TYR A 82 5.107 -10.568 0.331 1.00 0.00 O ATOM 0 H TYR A 82 11.117 -12.861 1.660 1.00 0.00 H new ATOM 0 HA TYR A 82 11.288 -11.505 -0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.891 -10.679 2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.062 -9.460 0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.932 -12.183 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.252 -9.017 -0.763 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.477 -12.261 1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.778 -9.027 -1.046 1.00 0.00 H new ATOM 0 HH TYR A 82 4.828 -10.436 -0.599 1.00 0.00 H new ATOM 1197 N ARG A 83 13.864 -11.050 1.287 1.00 0.00 N ATOM 1198 CA ARG A 83 15.264 -10.609 1.320 1.00 0.00 C ATOM 1199 C ARG A 83 16.133 -11.342 0.294 1.00 0.00 C ATOM 1200 O ARG A 83 17.233 -10.864 -0.013 1.00 0.00 O ATOM 1201 CB ARG A 83 15.832 -10.778 2.735 1.00 0.00 C ATOM 1202 CG ARG A 83 15.213 -9.766 3.702 1.00 0.00 C ATOM 1203 CD ARG A 83 15.805 -9.938 5.110 1.00 0.00 C ATOM 1204 NE ARG A 83 15.191 -9.035 6.096 1.00 0.00 N ATOM 1205 CZ ARG A 83 15.126 -7.701 6.048 1.00 0.00 C ATOM 1206 NH1 ARG A 83 15.816 -7.014 5.136 1.00 0.00 N ATOM 1207 NH2 ARG A 83 14.349 -7.085 6.923 1.00 0.00 N ATOM 0 H ARG A 83 13.553 -11.514 2.140 1.00 0.00 H new ATOM 0 HA ARG A 83 15.283 -9.554 1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.638 -11.790 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.914 -10.650 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.397 -8.753 3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.132 -9.901 3.736 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.669 -10.970 5.434 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.879 -9.754 5.074 1.00 0.00 H new ATOM 0 HE ARG A 83 14.766 -9.478 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.403 -7.507 4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 83 15.756 -5.996 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.822 -7.627 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.277 -6.068 6.913 1.00 0.00 H new ATOM 1221 N ARG A 84 15.676 -12.465 -0.259 1.00 0.00 N ATOM 1222 CA ARG A 84 16.323 -13.230 -1.317 1.00 0.00 C ATOM 1223 C ARG A 84 15.708 -12.978 -2.690 1.00 0.00 C ATOM 1224 O ARG A 84 15.991 -13.724 -3.634 1.00 0.00 O ATOM 1225 CB ARG A 84 16.339 -14.711 -0.925 1.00 0.00 C ATOM 1226 CG ARG A 84 17.351 -14.938 0.207 1.00 0.00 C ATOM 1227 CD ARG A 84 17.646 -16.419 0.410 1.00 0.00 C ATOM 1228 NE ARG A 84 18.250 -17.029 -0.786 1.00 0.00 N ATOM 1229 CZ ARG A 84 18.694 -18.286 -0.871 1.00 0.00 C ATOM 1230 NH1 ARG A 84 18.694 -19.088 0.186 1.00 0.00 N ATOM 1231 NH2 ARG A 84 19.152 -18.746 -2.027 1.00 0.00 N ATOM 0 H ARG A 84 14.796 -12.886 0.038 1.00 0.00 H new ATOM 0 HA ARG A 84 17.354 -12.890 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.345 -15.023 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.602 -15.322 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.277 -14.410 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.963 -14.514 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.319 -16.542 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.722 -16.942 0.657 1.00 0.00 H new ATOM 0 HE ARG A 84 18.336 -16.444 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.351 -18.748 1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.037 -20.045 0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.165 -18.141 -2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.492 -19.705 -2.096 1.00 0.00 H new ATOM 1245 N ASP A 85 14.919 -11.920 -2.855 1.00 0.00 N ATOM 1246 CA ASP A 85 14.359 -11.558 -4.148 1.00 0.00 C ATOM 1247 C ASP A 85 15.411 -10.892 -5.056 1.00 0.00 C ATOM 1248 O ASP A 85 16.564 -10.688 -4.641 1.00 0.00 O ATOM 1249 CB ASP A 85 13.165 -10.631 -3.927 1.00 0.00 C ATOM 1250 CG ASP A 85 12.374 -10.529 -5.219 1.00 0.00 C ATOM 1251 OD1 ASP A 85 11.997 -11.580 -5.758 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.287 -9.406 -5.758 1.00 0.00 O ATOM 0 H ASP A 85 14.652 -11.293 -2.096 1.00 0.00 H new ATOM 0 HA ASP A 85 14.031 -12.464 -4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.532 -11.016 -3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.507 -9.644 -3.616 1.00 0.00 H new ATOM 1257 N TYR A 86 15.039 -10.519 -6.284 1.00 0.00 N ATOM 1258 CA TYR A 86 15.849 -9.794 -7.255 1.00 0.00 C ATOM 1259 C TYR A 86 15.414 -8.332 -7.421 1.00 0.00 C ATOM 1260 O TYR A 86 16.265 -7.484 -7.685 1.00 0.00 O ATOM 1261 CB TYR A 86 15.783 -10.582 -8.578 1.00 0.00 C ATOM 1262 CG TYR A 86 16.825 -10.247 -9.626 1.00 0.00 C ATOM 1263 CD1 TYR A 86 16.770 -9.023 -10.319 1.00 0.00 C ATOM 1264 CD2 TYR A 86 17.816 -11.192 -9.964 1.00 0.00 C ATOM 1265 CE1 TYR A 86 17.726 -8.719 -11.298 1.00 0.00 C ATOM 1266 CE2 TYR A 86 18.771 -10.893 -10.951 1.00 0.00 C ATOM 1267 CZ TYR A 86 18.738 -9.648 -11.615 1.00 0.00 C ATOM 1268 OH TYR A 86 19.664 -9.357 -12.565 1.00 0.00 O ATOM 0 H TYR A 86 14.108 -10.730 -6.644 1.00 0.00 H new ATOM 0 HA TYR A 86 16.879 -9.729 -6.904 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.864 -11.644 -8.345 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.798 -10.427 -9.017 1.00 0.00 H new ATOM 0 HD1 TYR A 86 15.987 -8.314 -10.095 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.841 -12.148 -9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.687 -7.770 -11.811 1.00 0.00 H new ATOM 0 HE2 TYR A 86 19.532 -11.617 -11.202 1.00 0.00 H new ATOM 0 HH TYR A 86 20.287 -10.108 -12.655 1.00 0.00 H new ATOM 1278 N PHE A 87 14.137 -8.018 -7.217 1.00 0.00 N ATOM 1279 CA PHE A 87 13.631 -6.663 -7.225 1.00 0.00 C ATOM 1280 C PHE A 87 13.594 -6.145 -5.792 1.00 0.00 C ATOM 1281 O PHE A 87 14.197 -5.118 -5.495 1.00 0.00 O ATOM 1282 CB PHE A 87 12.242 -6.648 -7.867 1.00 0.00 C ATOM 1283 CG PHE A 87 11.601 -5.289 -8.074 1.00 0.00 C ATOM 1284 CD1 PHE A 87 12.288 -4.070 -7.884 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.267 -5.269 -8.508 1.00 0.00 C ATOM 1286 CE1 PHE A 87 11.639 -2.849 -8.130 1.00 0.00 C ATOM 1287 CE2 PHE A 87 9.608 -4.050 -8.729 1.00 0.00 C ATOM 1288 CZ PHE A 87 10.303 -2.844 -8.552 1.00 0.00 C ATOM 0 H PHE A 87 13.417 -8.718 -7.039 1.00 0.00 H new ATOM 0 HA PHE A 87 14.278 -6.010 -7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.310 -7.143 -8.836 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.575 -7.248 -7.248 1.00 0.00 H new ATOM 0 HD1 PHE A 87 13.315 -4.077 -7.549 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.743 -6.199 -8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.168 -1.917 -7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.572 -4.040 -9.034 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.804 -1.905 -8.742 1.00 0.00 H new ATOM 1298 N TRP A 88 12.904 -6.841 -4.884 1.00 0.00 N ATOM 1299 CA TRP A 88 12.672 -6.366 -3.522 1.00 0.00 C ATOM 1300 C TRP A 88 13.981 -6.165 -2.729 1.00 0.00 C ATOM 1301 O TRP A 88 13.944 -5.453 -1.730 1.00 0.00 O ATOM 1302 CB TRP A 88 11.659 -7.270 -2.797 1.00 0.00 C ATOM 1303 CG TRP A 88 10.267 -7.230 -3.357 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.742 -8.065 -4.282 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.214 -6.261 -3.078 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.444 -7.703 -4.571 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.095 -6.539 -3.921 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.120 -5.147 -2.222 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.969 -5.704 -3.970 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 7.983 -4.323 -2.235 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.927 -4.579 -3.130 1.00 0.00 C ATOM 0 H TRP A 88 12.490 -7.753 -5.076 1.00 0.00 H new ATOM 0 HA TRP A 88 12.229 -5.372 -3.589 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.020 -8.298 -2.832 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.622 -6.981 -1.747 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.265 -8.897 -4.730 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.822 -8.228 -5.186 1.00 0.00 H new ATOM 0 HE3 TRP A 88 9.933 -4.923 -1.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.151 -5.922 -4.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.918 -3.487 -1.554 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.082 -3.908 -3.171 1.00 0.00 H new ATOM 1322 N GLN A 89 15.140 -6.626 -3.231 1.00 0.00 N ATOM 1323 CA GLN A 89 16.473 -6.289 -2.709 1.00 0.00 C ATOM 1324 C GLN A 89 16.639 -4.818 -2.390 1.00 0.00 C ATOM 1325 O GLN A 89 16.951 -4.436 -1.261 1.00 0.00 O ATOM 1326 CB GLN A 89 17.706 -6.816 -3.463 1.00 0.00 C ATOM 1327 CG GLN A 89 17.312 -7.033 -4.874 1.00 0.00 C ATOM 1328 CD GLN A 89 18.504 -7.113 -5.814 1.00 0.00 C ATOM 1329 OE1 GLN A 89 18.780 -6.200 -6.580 1.00 0.00 O ATOM 1330 NE2 GLN A 89 19.301 -8.171 -5.720 1.00 0.00 N ATOM 0 H GLN A 89 15.175 -7.259 -4.030 1.00 0.00 H new ATOM 0 HA GLN A 89 16.466 -6.870 -1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 89 18.527 -6.101 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.058 -7.746 -3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.735 -7.955 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.658 -6.221 -5.193 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.067 -8.930 -5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.147 -8.224 -6.288 1.00 0.00 H new ATOM 1339 N THR A 90 16.427 -3.985 -3.397 1.00 0.00 N ATOM 1340 CA THR A 90 16.659 -2.550 -3.262 1.00 0.00 C ATOM 1341 C THR A 90 15.633 -1.867 -2.341 1.00 0.00 C ATOM 1342 O THR A 90 15.895 -0.760 -1.865 1.00 0.00 O ATOM 1343 CB THR A 90 16.868 -1.925 -4.651 1.00 0.00 C ATOM 1344 OG1 THR A 90 17.209 -0.556 -4.566 1.00 0.00 O ATOM 1345 CG2 THR A 90 15.714 -2.136 -5.631 1.00 0.00 C ATOM 0 H THR A 90 16.095 -4.275 -4.317 1.00 0.00 H new ATOM 0 HA THR A 90 17.591 -2.371 -2.725 1.00 0.00 H new ATOM 0 HB THR A 90 17.711 -2.475 -5.069 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.879 -0.189 -3.720 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.953 -1.660 -6.582 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.560 -3.204 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.805 -1.695 -5.223 1.00 0.00 H new ATOM 1353 N TYR A 91 14.558 -2.548 -1.931 1.00 0.00 N ATOM 1354 CA TYR A 91 13.649 -2.084 -0.886 1.00 0.00 C ATOM 1355 C TYR A 91 13.860 -2.842 0.438 1.00 0.00 C ATOM 1356 O TYR A 91 13.202 -2.545 1.439 1.00 0.00 O ATOM 1357 CB TYR A 91 12.189 -2.098 -1.374 1.00 0.00 C ATOM 1358 CG TYR A 91 11.886 -1.074 -2.461 1.00 0.00 C ATOM 1359 CD1 TYR A 91 12.253 -1.298 -3.811 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.258 0.135 -2.095 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.946 -0.333 -4.795 1.00 0.00 C ATOM 1362 CE2 TYR A 91 10.975 1.105 -3.071 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.301 0.877 -4.424 1.00 0.00 C ATOM 1364 OH TYR A 91 10.949 1.827 -5.339 1.00 0.00 O ATOM 0 H TYR A 91 14.294 -3.451 -2.324 1.00 0.00 H new ATOM 0 HA TYR A 91 13.889 -1.044 -0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.953 -3.093 -1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.531 -1.915 -0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.767 -2.207 -4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.994 0.315 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.201 -0.515 -5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.504 2.033 -2.783 1.00 0.00 H new ATOM 0 HH TYR A 91 11.241 1.546 -6.231 1.00 0.00 H new ATOM 1374 N ALA A 92 14.814 -3.781 0.525 1.00 0.00 N ATOM 1375 CA ALA A 92 15.045 -4.617 1.701 1.00 0.00 C ATOM 1376 C ALA A 92 15.585 -3.821 2.891 1.00 0.00 C ATOM 1377 O ALA A 92 15.699 -4.371 3.988 1.00 0.00 O ATOM 1378 CB ALA A 92 15.927 -5.824 1.358 1.00 0.00 C ATOM 0 H ALA A 92 15.458 -3.981 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 92 14.075 -5.002 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.082 -6.428 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.437 -6.427 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 92 16.890 -5.476 0.984 1.00 0.00 H new ATOM 1384 N ALA A 93 15.852 -2.526 2.711 1.00 0.00 N ATOM 1385 CA ALA A 93 16.214 -1.597 3.758 1.00 0.00 C ATOM 1386 C ALA A 93 15.007 -1.176 4.609 1.00 0.00 C ATOM 1387 O ALA A 93 15.231 -0.643 5.697 1.00 0.00 O ATOM 1388 CB ALA A 93 16.895 -0.353 3.173 1.00 0.00 C ATOM 0 H ALA A 93 15.818 -2.088 1.790 1.00 0.00 H new ATOM 0 HA ALA A 93 16.914 -2.120 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.158 0.331 3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.798 -0.650 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.213 0.145 2.483 1.00 0.00 H new ATOM 1394 N TRP A 94 13.770 -1.442 4.161 1.00 0.00 N ATOM 1395 CA TRP A 94 12.526 -1.042 4.826 1.00 0.00 C ATOM 1396 C TRP A 94 11.614 -2.264 5.004 1.00 0.00 C ATOM 1397 O TRP A 94 10.405 -2.146 4.816 1.00 0.00 O ATOM 1398 CB TRP A 94 11.801 0.068 4.030 1.00 0.00 C ATOM 1399 CG TRP A 94 12.556 1.327 3.737 1.00 0.00 C ATOM 1400 CD1 TRP A 94 12.504 2.457 4.475 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.399 1.643 2.590 1.00 0.00 C ATOM 1402 NE1 TRP A 94 13.305 3.424 3.904 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.903 2.966 2.749 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.750 0.959 1.409 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.756 3.556 1.805 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.588 1.549 0.443 1.00 0.00 C ATOM 1407 CH2 TRP A 94 15.102 2.839 0.647 1.00 0.00 C ATOM 0 H TRP A 94 13.606 -1.959 3.297 1.00 0.00 H new ATOM 0 HA TRP A 94 12.773 -0.638 5.808 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.479 -0.358 3.080 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.899 0.339 4.579 1.00 0.00 H new ATOM 0 HD1 TRP A 94 11.923 2.584 5.376 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.438 4.360 4.288 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.369 -0.037 1.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.143 4.551 1.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.836 1.007 -0.458 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.762 3.280 -0.085 1.00 0.00 H new ATOM 1418 N ILE A 95 12.177 -3.454 5.254 1.00 0.00 N ATOM 1419 CA ILE A 95 11.390 -4.681 5.469 1.00 0.00 C ATOM 1420 C ILE A 95 11.493 -5.079 6.942 1.00 0.00 C ATOM 1421 O ILE A 95 12.585 -5.055 7.515 1.00 0.00 O ATOM 1422 CB ILE A 95 11.847 -5.817 4.512 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.557 -5.390 3.060 1.00 0.00 C ATOM 1424 CG2 ILE A 95 11.132 -7.149 4.804 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.940 -6.397 1.974 1.00 0.00 C ATOM 0 H ILE A 95 13.185 -3.595 5.313 1.00 0.00 H new ATOM 0 HA ILE A 95 10.342 -4.496 5.233 1.00 0.00 H new ATOM 0 HB ILE A 95 12.914 -5.978 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.492 -5.178 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.085 -4.457 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.485 -7.911 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.348 -7.461 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.057 -7.019 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.690 -5.989 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.011 -6.594 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.392 -7.326 2.130 1.00 0.00 H new ATOM 1437 N GLN A 96 10.389 -5.516 7.545 1.00 0.00 N ATOM 1438 CA GLN A 96 10.332 -6.203 8.838 1.00 0.00 C ATOM 1439 C GLN A 96 9.325 -7.362 8.777 1.00 0.00 C ATOM 1440 O GLN A 96 8.499 -7.391 7.861 1.00 0.00 O ATOM 1441 CB GLN A 96 10.058 -5.248 10.007 1.00 0.00 C ATOM 1442 CG GLN A 96 9.340 -3.951 9.668 1.00 0.00 C ATOM 1443 CD GLN A 96 10.325 -2.797 9.498 1.00 0.00 C ATOM 1444 OE1 GLN A 96 10.777 -2.467 8.409 1.00 0.00 O ATOM 1445 NE2 GLN A 96 10.770 -2.199 10.590 1.00 0.00 N ATOM 0 H GLN A 96 9.466 -5.396 7.128 1.00 0.00 H new ATOM 0 HA GLN A 96 11.319 -6.621 9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.467 -5.781 10.752 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.010 -4.999 10.475 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.767 -4.080 8.750 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.628 -3.710 10.458 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.401 -2.465 11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.482 -1.472 10.519 1.00 0.00 H new ATOM 1454 N PRO A 97 9.357 -8.310 9.731 1.00 0.00 N ATOM 1455 CA PRO A 97 8.278 -9.274 9.893 1.00 0.00 C ATOM 1456 C PRO A 97 6.982 -8.555 10.286 1.00 0.00 C ATOM 1457 O PRO A 97 7.008 -7.509 10.943 1.00 0.00 O ATOM 1458 CB PRO A 97 8.741 -10.255 10.973 1.00 0.00 C ATOM 1459 CG PRO A 97 9.757 -9.449 11.780 1.00 0.00 C ATOM 1460 CD PRO A 97 10.376 -8.507 10.753 1.00 0.00 C ATOM 0 HA PRO A 97 8.062 -9.807 8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.910 -10.589 11.594 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.192 -11.147 10.538 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.278 -8.898 12.590 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.509 -10.094 12.235 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.658 -7.559 11.212 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.282 -8.936 10.325 1.00 0.00 H new ATOM 1468 N MET A 98 5.850 -9.112 9.870 1.00 0.00 N ATOM 1469 CA MET A 98 4.523 -8.668 10.253 1.00 0.00 C ATOM 1470 C MET A 98 4.221 -9.181 11.664 1.00 0.00 C ATOM 1471 O MET A 98 4.807 -10.172 12.104 1.00 0.00 O ATOM 1472 CB MET A 98 3.500 -9.118 9.185 1.00 0.00 C ATOM 1473 CG MET A 98 2.750 -10.429 9.433 1.00 0.00 C ATOM 1474 SD MET A 98 1.248 -10.640 8.435 1.00 0.00 S ATOM 1475 CE MET A 98 1.858 -10.403 6.750 1.00 0.00 C ATOM 0 H MET A 98 5.835 -9.911 9.236 1.00 0.00 H new ATOM 0 HA MET A 98 4.458 -7.581 10.292 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.762 -8.324 9.071 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.024 -9.205 8.233 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.424 -11.262 9.232 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.481 -10.484 10.488 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.403 -11.142 6.091 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.598 -9.402 6.406 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.941 -10.522 6.735 1.00 0.00 H new ATOM 1485 N GLU A 99 3.261 -8.568 12.350 1.00 0.00 N ATOM 1486 CA GLU A 99 2.820 -8.912 13.698 1.00 0.00 C ATOM 1487 C GLU A 99 1.284 -8.918 13.701 1.00 0.00 C ATOM 1488 O GLU A 99 0.668 -8.956 12.632 1.00 0.00 O ATOM 1489 CB GLU A 99 3.492 -7.955 14.704 1.00 0.00 C ATOM 1490 CG GLU A 99 4.948 -8.392 14.949 1.00 0.00 C ATOM 1491 CD GLU A 99 5.776 -7.358 15.703 1.00 0.00 C ATOM 1492 OE1 GLU A 99 6.289 -6.412 15.046 1.00 0.00 O ATOM 1493 OE2 GLU A 99 6.009 -7.512 16.918 1.00 0.00 O ATOM 0 H GLU A 99 2.744 -7.779 11.962 1.00 0.00 H new ATOM 0 HA GLU A 99 3.127 -9.909 14.013 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.469 -6.935 14.320 1.00 0.00 H new ATOM 0 HB3 GLU A 99 2.940 -7.955 15.644 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.949 -9.326 15.511 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.424 -8.597 13.990 1.00 0.00 H new ATOM 1500 N GLN A 100 0.661 -8.978 14.877 1.00 0.00 N ATOM 1501 CA GLN A 100 -0.781 -8.861 15.084 1.00 0.00 C ATOM 1502 C GLN A 100 -0.972 -7.792 16.135 1.00 0.00 C ATOM 1503 O GLN A 100 -1.895 -6.964 16.012 1.00 0.00 O ATOM 1504 CB GLN A 100 -1.396 -10.186 15.569 1.00 0.00 C ATOM 1505 CG GLN A 100 -1.353 -11.312 14.525 1.00 0.00 C ATOM 1506 CD GLN A 100 -1.848 -12.637 15.106 1.00 0.00 C ATOM 1507 OE1 GLN A 100 -1.268 -13.153 16.059 1.00 0.00 O ATOM 1508 NE2 GLN A 100 -2.911 -13.230 14.580 1.00 0.00 N ATOM 0 H GLN A 100 1.171 -9.116 15.750 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.278 -8.609 14.147 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.868 -10.514 16.464 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.433 -10.010 15.857 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.968 -11.038 13.668 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.333 -11.432 14.160 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.394 -12.803 13.789 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.246 -14.113 14.966 1.00 0.00 H new TER 1517 GLN A 100