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 28 GLN : amide:sc= 0.351 K(o=1.1,f=0.6) USER MOD Set 1.2: A 51 THR OG1 : rot 48:sc= 0.791 USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0345 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.0012) USER MOD Single : A 11 MET CE :methyl 168:sc= 0 (180deg=-0.143) USER MOD Single : A 13 LYS NZ :NH3+ -149:sc= 0.817 (180deg=0.182) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc=-0.00193 X(o=-0.0019,f=-0.22) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 150:sc= 0 USER MOD Single : A 38 MET CE :methyl -149:sc= -3.05 (180deg=-8.74!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.649 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0646) USER MOD Single : A 56 SER OG : rot -97:sc= 1.2 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 170:sc= -0.0384 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 12:sc= 0.83 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.13) USER MOD Single : A 90 THR OG1 : rot 87:sc= 0.5 USER MOD Single : A 91 TYR OH : rot 36:sc= 1.18 USER MOD Single : A 96 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.1!) USER MOD Single : A 98 MET CE :methyl 148:sc= -0.087 (180deg=-0.334) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.397 14.154 -2.248 1.00 0.00 N ATOM 2 CA GLY A 1 -18.607 12.707 -2.232 1.00 0.00 C ATOM 3 C GLY A 1 -19.181 12.251 -3.549 1.00 0.00 C ATOM 4 O GLY A 1 -20.021 12.945 -4.126 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.759 14.567 -1.365 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.381 14.356 -2.334 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.902 14.569 -3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.663 12.197 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.283 12.439 -1.420 1.00 0.00 H new ATOM 8 N SER A 2 -18.741 11.095 -4.028 1.00 0.00 N ATOM 9 CA SER A 2 -19.251 10.446 -5.219 1.00 0.00 C ATOM 10 C SER A 2 -19.038 8.939 -5.056 1.00 0.00 C ATOM 11 O SER A 2 -18.027 8.381 -5.494 1.00 0.00 O ATOM 12 CB SER A 2 -18.613 11.042 -6.480 1.00 0.00 C ATOM 13 OG SER A 2 -17.305 11.557 -6.283 1.00 0.00 O ATOM 0 H SER A 2 -17.992 10.568 -3.579 1.00 0.00 H new ATOM 0 HA SER A 2 -20.320 10.620 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.576 10.274 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.253 11.841 -6.855 1.00 0.00 H new ATOM 0 HG SER A 2 -16.964 11.917 -7.128 1.00 0.00 H new ATOM 19 N HIS A 3 -20.010 8.315 -4.388 1.00 0.00 N ATOM 20 CA HIS A 3 -20.058 6.925 -3.945 1.00 0.00 C ATOM 21 C HIS A 3 -19.004 6.628 -2.871 1.00 0.00 C ATOM 22 O HIS A 3 -18.140 7.457 -2.572 1.00 0.00 O ATOM 23 CB HIS A 3 -20.002 5.958 -5.140 1.00 0.00 C ATOM 24 CG HIS A 3 -20.819 6.388 -6.340 1.00 0.00 C ATOM 25 ND1 HIS A 3 -20.403 6.340 -7.654 1.00 0.00 N ATOM 26 CD2 HIS A 3 -22.056 6.977 -6.320 1.00 0.00 C ATOM 27 CE1 HIS A 3 -21.365 6.882 -8.412 1.00 0.00 C ATOM 28 NE2 HIS A 3 -22.384 7.306 -7.642 1.00 0.00 N ATOM 0 H HIS A 3 -20.857 8.816 -4.121 1.00 0.00 H new ATOM 0 HA HIS A 3 -21.021 6.760 -3.461 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -18.963 5.842 -5.448 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -20.349 4.978 -4.813 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -22.666 7.155 -5.446 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -21.328 6.967 -9.488 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -23.232 7.776 -7.959 1.00 0.00 H new ATOM 36 N GLU A 4 -19.100 5.451 -2.254 1.00 0.00 N ATOM 37 CA GLU A 4 -18.179 5.018 -1.209 1.00 0.00 C ATOM 38 C GLU A 4 -16.786 4.816 -1.787 1.00 0.00 C ATOM 39 O GLU A 4 -16.626 4.465 -2.962 1.00 0.00 O ATOM 40 CB GLU A 4 -18.674 3.706 -0.593 1.00 0.00 C ATOM 41 CG GLU A 4 -19.756 3.997 0.449 1.00 0.00 C ATOM 42 CD GLU A 4 -20.516 2.755 0.900 1.00 0.00 C ATOM 43 OE1 GLU A 4 -20.266 1.633 0.401 1.00 0.00 O ATOM 44 OE2 GLU A 4 -21.447 2.924 1.716 1.00 0.00 O ATOM 0 H GLU A 4 -19.826 4.767 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 4 -18.136 5.787 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -19.072 3.056 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.843 3.175 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.295 4.467 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -20.463 4.716 0.036 1.00 0.00 H new ATOM 51 N GLY A 5 -15.775 4.983 -0.941 1.00 0.00 N ATOM 52 CA GLY A 5 -14.394 4.802 -1.316 1.00 0.00 C ATOM 53 C GLY A 5 -13.500 5.463 -0.295 1.00 0.00 C ATOM 54 O GLY A 5 -12.881 6.494 -0.589 1.00 0.00 O ATOM 0 H GLY A 5 -15.903 5.251 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.162 3.739 -1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.215 5.231 -2.302 1.00 0.00 H new ATOM 58 N GLU A 6 -13.389 4.843 0.878 1.00 0.00 N ATOM 59 CA GLU A 6 -12.151 4.928 1.622 1.00 0.00 C ATOM 60 C GLU A 6 -10.994 4.498 0.702 1.00 0.00 C ATOM 61 O GLU A 6 -11.204 3.737 -0.246 1.00 0.00 O ATOM 62 CB GLU A 6 -12.181 3.983 2.835 1.00 0.00 C ATOM 63 CG GLU A 6 -12.632 4.595 4.162 1.00 0.00 C ATOM 64 CD GLU A 6 -11.863 3.944 5.315 1.00 0.00 C ATOM 65 OE1 GLU A 6 -12.281 2.902 5.859 1.00 0.00 O ATOM 66 OE2 GLU A 6 -10.783 4.476 5.676 1.00 0.00 O ATOM 0 H GLU A 6 -14.125 4.291 1.319 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.018 5.953 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.842 3.148 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.182 3.570 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.457 5.671 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.703 4.447 4.297 1.00 0.00 H new ATOM 73 N PRO A 7 -9.762 4.916 1.012 1.00 0.00 N ATOM 74 CA PRO A 7 -8.566 4.370 0.395 1.00 0.00 C ATOM 75 C PRO A 7 -8.394 2.916 0.893 1.00 0.00 C ATOM 76 O PRO A 7 -7.816 2.688 1.957 1.00 0.00 O ATOM 77 CB PRO A 7 -7.448 5.339 0.832 1.00 0.00 C ATOM 78 CG PRO A 7 -7.923 5.704 2.248 1.00 0.00 C ATOM 79 CD PRO A 7 -9.419 5.879 2.047 1.00 0.00 C ATOM 0 HA PRO A 7 -8.579 4.303 -0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.467 4.864 0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.379 6.211 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.698 4.918 2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.451 6.616 2.614 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.969 5.685 2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.662 6.896 1.739 1.00 0.00 H new ATOM 87 N VAL A 8 -8.943 1.921 0.192 1.00 0.00 N ATOM 88 CA VAL A 8 -8.806 0.500 0.533 1.00 0.00 C ATOM 89 C VAL A 8 -8.647 -0.270 -0.771 1.00 0.00 C ATOM 90 O VAL A 8 -9.433 -0.087 -1.704 1.00 0.00 O ATOM 91 CB VAL A 8 -10.010 -0.036 1.349 1.00 0.00 C ATOM 92 CG1 VAL A 8 -9.789 -1.491 1.794 1.00 0.00 C ATOM 93 CG2 VAL A 8 -10.288 0.782 2.613 1.00 0.00 C ATOM 0 H VAL A 8 -9.505 2.082 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.934 0.367 1.173 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.860 0.040 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.653 -1.833 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.659 -2.124 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.897 -1.549 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.142 0.357 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.412 0.758 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.508 1.813 2.338 1.00 0.00 H new ATOM 103 N VAL A 9 -7.640 -1.138 -0.850 1.00 0.00 N ATOM 104 CA VAL A 9 -7.446 -2.020 -1.987 1.00 0.00 C ATOM 105 C VAL A 9 -8.649 -2.962 -2.142 1.00 0.00 C ATOM 106 O VAL A 9 -8.951 -3.740 -1.240 1.00 0.00 O ATOM 107 CB VAL A 9 -6.090 -2.748 -1.851 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.945 -3.663 -0.627 1.00 0.00 C ATOM 109 CG2 VAL A 9 -5.750 -3.500 -3.138 1.00 0.00 C ATOM 0 H VAL A 9 -6.935 -1.246 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.399 -1.447 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.366 -1.952 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.956 -4.122 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.069 -3.076 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.707 -4.442 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.792 -4.006 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.526 -4.237 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.689 -2.794 -3.967 1.00 0.00 H new ATOM 119 N GLY A 10 -9.302 -2.939 -3.305 1.00 0.00 N ATOM 120 CA GLY A 10 -10.316 -3.909 -3.689 1.00 0.00 C ATOM 121 C GLY A 10 -10.203 -4.142 -5.185 1.00 0.00 C ATOM 122 O GLY A 10 -10.932 -3.535 -5.957 1.00 0.00 O ATOM 0 H GLY A 10 -9.134 -2.229 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.174 -4.844 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.310 -3.541 -3.435 1.00 0.00 H new ATOM 126 N MET A 11 -9.256 -4.995 -5.594 1.00 0.00 N ATOM 127 CA MET A 11 -8.781 -5.224 -6.960 1.00 0.00 C ATOM 128 C MET A 11 -8.215 -3.980 -7.648 1.00 0.00 C ATOM 129 O MET A 11 -7.053 -4.007 -8.059 1.00 0.00 O ATOM 130 CB MET A 11 -9.837 -5.920 -7.824 1.00 0.00 C ATOM 131 CG MET A 11 -10.017 -7.390 -7.436 1.00 0.00 C ATOM 132 SD MET A 11 -10.908 -8.406 -8.643 1.00 0.00 S ATOM 133 CE MET A 11 -9.665 -8.521 -9.960 1.00 0.00 C ATOM 0 H MET A 11 -8.765 -5.588 -4.925 1.00 0.00 H new ATOM 0 HA MET A 11 -7.934 -5.902 -6.854 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.789 -5.399 -7.723 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.548 -5.855 -8.873 1.00 0.00 H new ATOM 0 HG2 MET A 11 -9.033 -7.829 -7.273 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.548 -7.435 -6.485 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.967 -9.282 -10.680 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.579 -7.559 -10.464 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.701 -8.792 -9.528 1.00 0.00 H new ATOM 143 N ASP A 12 -9.001 -2.923 -7.837 1.00 0.00 N ATOM 144 CA ASP A 12 -8.625 -1.766 -8.639 1.00 0.00 C ATOM 145 C ASP A 12 -7.621 -0.935 -7.843 1.00 0.00 C ATOM 146 O ASP A 12 -7.994 -0.086 -7.026 1.00 0.00 O ATOM 147 CB ASP A 12 -9.864 -0.951 -9.048 1.00 0.00 C ATOM 148 CG ASP A 12 -9.968 -0.792 -10.561 1.00 0.00 C ATOM 149 OD1 ASP A 12 -9.350 0.147 -11.108 1.00 0.00 O ATOM 150 OD2 ASP A 12 -10.679 -1.593 -11.206 1.00 0.00 O ATOM 0 H ASP A 12 -9.933 -2.847 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.157 -2.089 -9.569 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.762 -1.442 -8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.821 0.033 -8.582 1.00 0.00 H new ATOM 155 N LYS A 13 -6.323 -1.196 -8.017 1.00 0.00 N ATOM 156 CA LYS A 13 -5.305 -0.329 -7.444 1.00 0.00 C ATOM 157 C LYS A 13 -5.284 0.963 -8.243 1.00 0.00 C ATOM 158 O LYS A 13 -4.542 1.037 -9.218 1.00 0.00 O ATOM 159 CB LYS A 13 -3.921 -0.993 -7.395 1.00 0.00 C ATOM 160 CG LYS A 13 -3.779 -1.852 -6.135 1.00 0.00 C ATOM 161 CD LYS A 13 -2.337 -2.342 -5.990 1.00 0.00 C ATOM 162 CE LYS A 13 -2.226 -3.301 -4.799 1.00 0.00 C ATOM 163 NZ LYS A 13 -1.340 -4.441 -5.104 1.00 0.00 N ATOM 0 H LYS A 13 -5.961 -1.991 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.557 -0.121 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.777 -1.611 -8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.144 -0.228 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.064 -1.273 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.457 -2.704 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.022 -2.846 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.668 -1.493 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.843 -2.763 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.217 -3.670 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.661 -5.280 -4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.368 -4.639 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.366 -4.208 -4.823 1.00 0.00 H new ATOM 177 N SER A 14 -6.109 1.935 -7.845 1.00 0.00 N ATOM 178 CA SER A 14 -6.147 3.298 -8.333 1.00 0.00 C ATOM 179 C SER A 14 -7.132 4.125 -7.486 1.00 0.00 C ATOM 180 O SER A 14 -8.077 4.705 -8.018 1.00 0.00 O ATOM 181 CB SER A 14 -6.487 3.302 -9.828 1.00 0.00 C ATOM 182 OG SER A 14 -7.491 2.359 -10.171 1.00 0.00 O ATOM 0 H SER A 14 -6.812 1.770 -7.124 1.00 0.00 H new ATOM 0 HA SER A 14 -5.169 3.768 -8.230 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.819 4.299 -10.117 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.585 3.088 -10.401 1.00 0.00 H new ATOM 0 HG SER A 14 -7.669 2.406 -11.134 1.00 0.00 H new ATOM 188 N LEU A 15 -6.965 4.139 -6.159 1.00 0.00 N ATOM 189 CA LEU A 15 -7.735 4.969 -5.227 1.00 0.00 C ATOM 190 C LEU A 15 -6.965 5.158 -3.908 1.00 0.00 C ATOM 191 O LEU A 15 -7.396 4.717 -2.851 1.00 0.00 O ATOM 192 CB LEU A 15 -9.209 4.516 -5.081 1.00 0.00 C ATOM 193 CG LEU A 15 -9.492 3.007 -5.159 1.00 0.00 C ATOM 194 CD1 LEU A 15 -8.738 2.277 -4.064 1.00 0.00 C ATOM 195 CD2 LEU A 15 -10.991 2.737 -5.060 1.00 0.00 C ATOM 0 H LEU A 15 -6.271 3.557 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.835 5.966 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.581 4.880 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.793 5.010 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.146 2.635 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.946 1.209 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.668 2.446 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.058 2.650 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.172 1.664 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.368 3.118 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.506 3.236 -5.881 1.00 0.00 H new ATOM 207 N PHE A 16 -5.778 5.777 -3.989 1.00 0.00 N ATOM 208 CA PHE A 16 -4.872 5.935 -2.842 1.00 0.00 C ATOM 209 C PHE A 16 -4.381 7.371 -2.715 1.00 0.00 C ATOM 210 O PHE A 16 -4.394 7.935 -1.616 1.00 0.00 O ATOM 211 CB PHE A 16 -3.705 4.929 -2.897 1.00 0.00 C ATOM 212 CG PHE A 16 -4.178 3.503 -2.871 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.675 2.909 -4.042 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.170 2.790 -1.667 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.226 1.623 -3.992 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.668 1.481 -1.636 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.213 0.904 -2.792 1.00 0.00 C ATOM 0 H PHE A 16 -5.419 6.183 -4.853 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.442 5.710 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.124 5.100 -3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.038 5.103 -2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.632 3.443 -4.980 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.783 3.246 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.661 1.186 -4.879 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.632 0.914 -0.718 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.622 -0.095 -2.756 1.00 0.00 H new ATOM 227 N ALA A 17 -3.988 7.987 -3.831 1.00 0.00 N ATOM 228 CA ALA A 17 -3.683 9.403 -3.898 1.00 0.00 C ATOM 229 C ALA A 17 -4.992 10.206 -3.809 1.00 0.00 C ATOM 230 O ALA A 17 -5.527 10.679 -4.817 1.00 0.00 O ATOM 231 CB ALA A 17 -2.901 9.695 -5.187 1.00 0.00 C ATOM 0 H ALA A 17 -3.873 7.503 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.054 9.704 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.671 10.759 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.974 9.122 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.503 9.411 -6.050 1.00 0.00 H new ATOM 237 N GLY A 18 -5.540 10.329 -2.600 1.00 0.00 N ATOM 238 CA GLY A 18 -6.685 11.178 -2.332 1.00 0.00 C ATOM 239 C GLY A 18 -7.007 11.331 -0.845 1.00 0.00 C ATOM 240 O GLY A 18 -7.563 12.373 -0.484 1.00 0.00 O ATOM 0 H GLY A 18 -5.194 9.835 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.501 12.165 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.557 10.768 -2.842 1.00 0.00 H new ATOM 244 N ASN A 19 -6.689 10.356 0.018 1.00 0.00 N ATOM 245 CA ASN A 19 -7.128 10.373 1.418 1.00 0.00 C ATOM 246 C ASN A 19 -5.960 10.423 2.404 1.00 0.00 C ATOM 247 O ASN A 19 -5.532 9.396 2.923 1.00 0.00 O ATOM 248 CB ASN A 19 -7.990 9.141 1.643 1.00 0.00 C ATOM 249 CG ASN A 19 -8.739 9.145 2.972 1.00 0.00 C ATOM 250 OD1 ASN A 19 -9.930 9.448 3.014 1.00 0.00 O ATOM 251 ND2 ASN A 19 -8.087 8.783 4.064 1.00 0.00 N ATOM 0 H ASN A 19 -6.127 9.543 -0.232 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.699 11.282 1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.712 9.062 0.830 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.358 8.254 1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.572 8.752 4.961 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.099 8.535 4.010 1.00 0.00 H new ATOM 258 N THR A 20 -5.518 11.635 2.721 1.00 0.00 N ATOM 259 CA THR A 20 -4.389 12.092 3.552 1.00 0.00 C ATOM 260 C THR A 20 -4.264 11.527 4.984 1.00 0.00 C ATOM 261 O THR A 20 -3.476 12.041 5.784 1.00 0.00 O ATOM 262 CB THR A 20 -4.485 13.638 3.607 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.836 14.065 3.488 1.00 0.00 O ATOM 264 CG2 THR A 20 -3.686 14.269 2.473 1.00 0.00 C ATOM 0 H THR A 20 -6.013 12.445 2.349 1.00 0.00 H new ATOM 0 HA THR A 20 -3.490 11.705 3.072 1.00 0.00 H new ATOM 0 HB THR A 20 -4.080 13.953 4.568 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.874 15.043 3.527 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.767 15.354 2.531 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.639 13.978 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.079 13.926 1.516 1.00 0.00 H new ATOM 272 N VAL A 21 -5.041 10.515 5.358 1.00 0.00 N ATOM 273 CA VAL A 21 -5.238 10.053 6.729 1.00 0.00 C ATOM 274 C VAL A 21 -5.303 8.511 6.750 1.00 0.00 C ATOM 275 O VAL A 21 -5.848 7.913 7.676 1.00 0.00 O ATOM 276 CB VAL A 21 -6.480 10.746 7.357 1.00 0.00 C ATOM 277 CG1 VAL A 21 -6.355 10.780 8.887 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.723 12.194 6.881 1.00 0.00 C ATOM 0 H VAL A 21 -5.576 9.969 4.682 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.391 10.337 7.354 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.326 10.144 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.232 11.268 9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.285 9.762 9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.459 11.335 9.167 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.610 12.595 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.859 12.810 7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.872 12.202 5.801 1.00 0.00 H new ATOM 288 N ILE A 22 -4.792 7.846 5.711 1.00 0.00 N ATOM 289 CA ILE A 22 -4.521 6.423 5.682 1.00 0.00 C ATOM 290 C ILE A 22 -3.098 6.269 6.205 1.00 0.00 C ATOM 291 O ILE A 22 -2.153 6.768 5.597 1.00 0.00 O ATOM 292 CB ILE A 22 -4.752 5.863 4.264 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.390 4.364 4.216 1.00 0.00 C ATOM 294 CG2 ILE A 22 -4.090 6.635 3.095 1.00 0.00 C ATOM 295 CD1 ILE A 22 -4.846 3.736 2.901 1.00 0.00 C ATOM 0 H ILE A 22 -4.549 8.311 4.836 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.194 5.839 6.309 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.818 6.008 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.313 4.242 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.858 3.846 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.327 6.142 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.467 7.657 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.009 6.650 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.580 2.679 2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.927 3.839 2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.358 4.241 2.068 1.00 0.00 H new ATOM 307 N ARG A 23 -2.966 5.646 7.370 1.00 0.00 N ATOM 308 CA ARG A 23 -1.689 5.349 8.006 1.00 0.00 C ATOM 309 C ARG A 23 -1.229 3.941 7.693 1.00 0.00 C ATOM 310 O ARG A 23 -0.065 3.626 7.952 1.00 0.00 O ATOM 311 CB ARG A 23 -1.797 5.496 9.529 1.00 0.00 C ATOM 312 CG ARG A 23 -2.369 6.849 9.934 1.00 0.00 C ATOM 313 CD ARG A 23 -2.263 7.061 11.443 1.00 0.00 C ATOM 314 NE ARG A 23 -2.963 8.302 11.786 1.00 0.00 N ATOM 315 CZ ARG A 23 -2.470 9.534 11.659 1.00 0.00 C ATOM 316 NH1 ARG A 23 -1.163 9.750 11.551 1.00 0.00 N ATOM 317 NH2 ARG A 23 -3.324 10.547 11.626 1.00 0.00 N ATOM 0 H ARG A 23 -3.767 5.325 7.913 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.964 6.060 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.430 4.702 9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.811 5.371 9.976 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.835 7.644 9.414 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.413 6.913 9.627 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.702 6.218 11.976 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.217 7.119 11.745 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.910 8.215 12.154 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.513 8.964 11.564 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.810 10.702 11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.326 10.372 11.697 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.979 11.502 11.530 1.00 0.00 H new ATOM 331 N GLU A 24 -2.146 3.089 7.236 1.00 0.00 N ATOM 332 CA GLU A 24 -1.944 1.653 7.290 1.00 0.00 C ATOM 333 C GLU A 24 -2.629 0.962 6.123 1.00 0.00 C ATOM 334 O GLU A 24 -3.766 1.281 5.761 1.00 0.00 O ATOM 335 CB GLU A 24 -2.431 1.105 8.647 1.00 0.00 C ATOM 336 CG GLU A 24 -1.231 0.468 9.340 1.00 0.00 C ATOM 337 CD GLU A 24 -1.478 0.127 10.802 1.00 0.00 C ATOM 338 OE1 GLU A 24 -2.207 -0.846 11.097 1.00 0.00 O ATOM 339 OE2 GLU A 24 -0.839 0.787 11.655 1.00 0.00 O ATOM 0 H GLU A 24 -3.035 3.375 6.825 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.878 1.442 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.846 1.907 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.224 0.372 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.955 -0.441 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.381 1.148 9.273 1.00 0.00 H new ATOM 346 N ILE A 25 -1.885 0.049 5.502 1.00 0.00 N ATOM 347 CA ILE A 25 -2.215 -0.529 4.216 1.00 0.00 C ATOM 348 C ILE A 25 -1.850 -2.011 4.247 1.00 0.00 C ATOM 349 O ILE A 25 -0.719 -2.383 3.928 1.00 0.00 O ATOM 350 CB ILE A 25 -1.506 0.274 3.097 1.00 0.00 C ATOM 351 CG1 ILE A 25 -1.862 1.773 3.164 1.00 0.00 C ATOM 352 CG2 ILE A 25 -1.927 -0.282 1.738 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.549 2.638 1.936 1.00 0.00 C ATOM 0 H ILE A 25 -1.016 -0.313 5.895 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.282 -0.468 4.001 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.429 0.174 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.930 1.855 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.340 2.203 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.431 0.279 0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.643 -1.332 1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.007 -0.190 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.853 3.667 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.478 2.608 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.093 2.254 1.073 1.00 0.00 H new ATOM 365 N THR A 26 -2.787 -2.869 4.638 1.00 0.00 N ATOM 366 CA THR A 26 -2.614 -4.317 4.616 1.00 0.00 C ATOM 367 C THR A 26 -2.990 -4.848 3.220 1.00 0.00 C ATOM 368 O THR A 26 -4.147 -5.185 2.959 1.00 0.00 O ATOM 369 CB THR A 26 -3.437 -4.936 5.761 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.127 -4.286 6.982 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.119 -6.424 5.917 1.00 0.00 C ATOM 0 H THR A 26 -3.700 -2.574 4.984 1.00 0.00 H new ATOM 0 HA THR A 26 -1.576 -4.602 4.787 1.00 0.00 H new ATOM 0 HB THR A 26 -4.493 -4.813 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.654 -4.682 7.707 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.712 -6.839 6.732 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.359 -6.946 4.991 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.059 -6.548 6.140 1.00 0.00 H new ATOM 379 N VAL A 27 -2.038 -4.881 2.287 1.00 0.00 N ATOM 380 CA VAL A 27 -2.235 -5.430 0.942 1.00 0.00 C ATOM 381 C VAL A 27 -2.202 -6.961 1.022 1.00 0.00 C ATOM 382 O VAL A 27 -1.696 -7.544 1.987 1.00 0.00 O ATOM 383 CB VAL A 27 -1.154 -4.919 -0.047 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.619 -4.958 -1.516 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.732 -3.470 0.201 1.00 0.00 C ATOM 0 H VAL A 27 -1.096 -4.523 2.445 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.202 -5.096 0.565 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.323 -5.601 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.821 -4.589 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.864 -5.983 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.501 -4.329 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.026 -3.182 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.599 -2.816 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.322 -3.378 1.207 1.00 0.00 H new ATOM 395 N GLN A 28 -2.682 -7.612 -0.035 1.00 0.00 N ATOM 396 CA GLN A 28 -2.689 -9.053 -0.190 1.00 0.00 C ATOM 397 C GLN A 28 -2.018 -9.439 -1.512 1.00 0.00 C ATOM 398 O GLN A 28 -1.791 -8.572 -2.351 1.00 0.00 O ATOM 399 CB GLN A 28 -4.146 -9.515 -0.101 1.00 0.00 C ATOM 400 CG GLN A 28 -4.910 -8.954 1.109 1.00 0.00 C ATOM 401 CD GLN A 28 -6.058 -9.878 1.460 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.116 -9.866 0.834 1.00 0.00 O ATOM 403 NE2 GLN A 28 -5.830 -10.765 2.410 1.00 0.00 N ATOM 0 H GLN A 28 -3.091 -7.126 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.117 -9.548 0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.665 -9.221 -1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.169 -10.604 -0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.238 -8.853 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.289 -7.957 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.944 -10.755 2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.540 -11.461 2.639 1.00 0.00 H new ATOM 412 N PRO A 29 -1.656 -10.710 -1.724 1.00 0.00 N ATOM 413 CA PRO A 29 -1.028 -11.136 -2.960 1.00 0.00 C ATOM 414 C PRO A 29 -2.026 -11.115 -4.118 1.00 0.00 C ATOM 415 O PRO A 29 -3.216 -11.412 -3.941 1.00 0.00 O ATOM 416 CB PRO A 29 -0.500 -12.543 -2.679 1.00 0.00 C ATOM 417 CG PRO A 29 -1.379 -13.046 -1.543 1.00 0.00 C ATOM 418 CD PRO A 29 -1.659 -11.783 -0.755 1.00 0.00 C ATOM 0 HA PRO A 29 -0.222 -10.468 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.580 -13.182 -3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.551 -12.525 -2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.296 -13.504 -1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.869 -13.796 -0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.619 -11.846 -0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.899 -11.622 0.010 1.00 0.00 H new ATOM 426 N ASN A 30 -1.495 -10.865 -5.313 1.00 0.00 N ATOM 427 CA ASN A 30 -2.146 -10.811 -6.619 1.00 0.00 C ATOM 428 C ASN A 30 -3.411 -9.948 -6.577 1.00 0.00 C ATOM 429 O ASN A 30 -4.534 -10.431 -6.759 1.00 0.00 O ATOM 430 CB ASN A 30 -2.376 -12.205 -7.220 1.00 0.00 C ATOM 431 CG ASN A 30 -1.205 -13.150 -6.999 1.00 0.00 C ATOM 432 OD1 ASN A 30 -0.162 -13.037 -7.628 1.00 0.00 O ATOM 433 ND2 ASN A 30 -1.361 -14.093 -6.084 1.00 0.00 N ATOM 0 H ASN A 30 -0.496 -10.676 -5.398 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.459 -10.317 -7.306 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.274 -12.640 -6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.559 -12.107 -8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.602 -14.746 -5.890 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.240 -14.167 -5.573 1.00 0.00 H new ATOM 440 N ILE A 31 -3.236 -8.645 -6.348 1.00 0.00 N ATOM 441 CA ILE A 31 -4.319 -7.672 -6.230 1.00 0.00 C ATOM 442 C ILE A 31 -3.898 -6.317 -6.820 1.00 0.00 C ATOM 443 O ILE A 31 -3.909 -5.286 -6.149 1.00 0.00 O ATOM 444 CB ILE A 31 -4.823 -7.652 -4.775 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.170 -6.916 -4.635 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.782 -7.079 -3.813 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.336 -7.876 -4.418 1.00 0.00 C ATOM 0 H ILE A 31 -2.312 -8.228 -6.237 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.181 -7.959 -6.832 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.989 -8.693 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.115 -6.220 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.352 -6.323 -5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.182 -7.085 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.878 -7.687 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.543 -6.056 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.262 -7.309 -4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.410 -8.556 -5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.170 -8.450 -3.507 1.00 0.00 H new ATOM 459 N GLY A 32 -3.469 -6.311 -8.077 1.00 0.00 N ATOM 460 CA GLY A 32 -3.232 -5.092 -8.839 1.00 0.00 C ATOM 461 C GLY A 32 -1.759 -4.728 -8.915 1.00 0.00 C ATOM 462 O GLY A 32 -1.016 -4.894 -7.935 1.00 0.00 O ATOM 0 H GLY A 32 -3.274 -7.164 -8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.624 -5.217 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.783 -4.270 -8.382 1.00 0.00 H new ATOM 466 N LEU A 33 -1.348 -4.178 -10.058 1.00 0.00 N ATOM 467 CA LEU A 33 -0.026 -3.600 -10.263 1.00 0.00 C ATOM 468 C LEU A 33 0.135 -2.414 -9.315 1.00 0.00 C ATOM 469 O LEU A 33 -0.801 -1.653 -9.072 1.00 0.00 O ATOM 470 CB LEU A 33 0.114 -3.175 -11.735 1.00 0.00 C ATOM 471 CG LEU A 33 1.368 -2.351 -12.100 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.670 -3.123 -11.866 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.300 -1.942 -13.575 1.00 0.00 C ATOM 0 H LEU A 33 -1.942 -4.122 -10.885 1.00 0.00 H new ATOM 0 HA LEU A 33 0.759 -4.325 -10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.106 -4.074 -12.351 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.767 -2.594 -12.007 1.00 0.00 H new ATOM 0 HG LEU A 33 1.375 -1.477 -11.449 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.519 -2.496 -12.139 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.746 -3.398 -10.814 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.673 -4.025 -12.478 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.185 -1.360 -13.832 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.259 -2.835 -14.199 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.408 -1.339 -13.745 1.00 0.00 H new ATOM 485 N LEU A 34 1.334 -2.268 -8.765 1.00 0.00 N ATOM 486 CA LEU A 34 1.725 -1.145 -7.929 1.00 0.00 C ATOM 487 C LEU A 34 2.452 -0.124 -8.805 1.00 0.00 C ATOM 488 O LEU A 34 3.683 -0.098 -8.835 1.00 0.00 O ATOM 489 CB LEU A 34 2.591 -1.698 -6.788 1.00 0.00 C ATOM 490 CG LEU A 34 1.726 -2.219 -5.634 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.377 -3.366 -4.855 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.458 -1.067 -4.678 1.00 0.00 C ATOM 0 H LEU A 34 2.082 -2.949 -8.894 1.00 0.00 H new ATOM 0 HA LEU A 34 0.874 -0.631 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.222 -2.503 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.257 -0.916 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 34 0.807 -2.613 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.711 -3.686 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.563 -4.203 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.321 -3.027 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.843 -1.418 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.404 -0.686 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.934 -0.270 -5.206 1.00 0.00 H new ATOM 504 N TYR A 35 1.697 0.654 -9.580 1.00 0.00 N ATOM 505 CA TYR A 35 2.275 1.605 -10.520 1.00 0.00 C ATOM 506 C TYR A 35 2.931 2.785 -9.782 1.00 0.00 C ATOM 507 O TYR A 35 2.671 3.048 -8.600 1.00 0.00 O ATOM 508 CB TYR A 35 1.207 2.059 -11.532 1.00 0.00 C ATOM 509 CG TYR A 35 0.088 2.907 -10.963 1.00 0.00 C ATOM 510 CD1 TYR A 35 0.298 4.280 -10.743 1.00 0.00 C ATOM 511 CD2 TYR A 35 -1.168 2.343 -10.674 1.00 0.00 C ATOM 512 CE1 TYR A 35 -0.715 5.089 -10.209 1.00 0.00 C ATOM 513 CE2 TYR A 35 -2.194 3.157 -10.164 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.975 4.528 -9.917 1.00 0.00 C ATOM 515 OH TYR A 35 -2.972 5.306 -9.411 1.00 0.00 O ATOM 0 H TYR A 35 0.677 0.641 -9.572 1.00 0.00 H new ATOM 0 HA TYR A 35 3.071 1.115 -11.081 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.699 2.622 -12.325 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.770 1.174 -11.994 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.254 4.718 -10.989 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.343 1.291 -10.843 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.531 6.137 -10.022 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.163 2.727 -9.959 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.840 4.955 -9.701 1.00 0.00 H new ATOM 525 N ASP A 36 3.781 3.498 -10.519 1.00 0.00 N ATOM 526 CA ASP A 36 4.554 4.652 -10.080 1.00 0.00 C ATOM 527 C ASP A 36 3.635 5.849 -9.850 1.00 0.00 C ATOM 528 O ASP A 36 3.022 6.342 -10.796 1.00 0.00 O ATOM 529 CB ASP A 36 5.614 4.937 -11.144 1.00 0.00 C ATOM 530 CG ASP A 36 6.539 6.113 -10.853 1.00 0.00 C ATOM 531 OD1 ASP A 36 6.053 7.256 -10.714 1.00 0.00 O ATOM 532 OD2 ASP A 36 7.771 5.888 -10.906 1.00 0.00 O ATOM 0 H ASP A 36 3.957 3.269 -11.497 1.00 0.00 H new ATOM 0 HA ASP A 36 5.047 4.452 -9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.223 4.042 -11.274 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.110 5.120 -12.093 1.00 0.00 H new ATOM 537 N GLY A 37 3.508 6.285 -8.597 1.00 0.00 N ATOM 538 CA GLY A 37 2.748 7.472 -8.207 1.00 0.00 C ATOM 539 C GLY A 37 1.426 7.165 -7.502 1.00 0.00 C ATOM 540 O GLY A 37 0.681 8.099 -7.193 1.00 0.00 O ATOM 0 H GLY A 37 3.942 5.810 -7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.364 8.084 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.543 8.067 -9.097 1.00 0.00 H new ATOM 544 N MET A 38 1.126 5.888 -7.216 1.00 0.00 N ATOM 545 CA MET A 38 -0.041 5.466 -6.429 1.00 0.00 C ATOM 546 C MET A 38 -0.198 6.259 -5.126 1.00 0.00 C ATOM 547 O MET A 38 -1.319 6.576 -4.732 1.00 0.00 O ATOM 548 CB MET A 38 0.096 3.985 -6.042 1.00 0.00 C ATOM 549 CG MET A 38 -0.545 2.992 -7.003 1.00 0.00 C ATOM 550 SD MET A 38 -2.315 2.664 -6.758 1.00 0.00 S ATOM 551 CE MET A 38 -2.215 1.529 -5.345 1.00 0.00 C ATOM 0 H MET A 38 1.700 5.106 -7.532 1.00 0.00 H new ATOM 0 HA MET A 38 -0.912 5.644 -7.060 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.156 3.747 -5.956 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.344 3.844 -5.055 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.402 3.359 -8.020 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.008 2.047 -6.927 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.043 0.821 -5.388 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.271 0.986 -5.381 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.272 2.098 -4.417 1.00 0.00 H new ATOM 561 N PHE A 39 0.912 6.519 -4.431 1.00 0.00 N ATOM 562 CA PHE A 39 0.939 6.975 -3.042 1.00 0.00 C ATOM 563 C PHE A 39 1.451 8.411 -2.926 1.00 0.00 C ATOM 564 O PHE A 39 1.867 8.841 -1.849 1.00 0.00 O ATOM 565 CB PHE A 39 1.755 5.972 -2.194 1.00 0.00 C ATOM 566 CG PHE A 39 1.313 4.530 -2.385 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.027 4.191 -2.118 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.173 3.561 -2.949 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.521 2.930 -2.490 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.664 2.329 -3.369 1.00 0.00 C ATOM 571 CZ PHE A 39 0.316 2.012 -3.149 1.00 0.00 C ATOM 0 H PHE A 39 1.844 6.414 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.078 7.001 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.810 6.060 -2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.663 6.237 -1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.676 4.901 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.227 3.773 -3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.545 2.665 -2.270 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.310 1.620 -3.864 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.079 1.065 -3.485 1.00 0.00 H new ATOM 581 N SER A 40 1.426 9.157 -4.031 1.00 0.00 N ATOM 582 CA SER A 40 1.712 10.576 -4.019 1.00 0.00 C ATOM 583 C SER A 40 0.694 11.269 -3.110 1.00 0.00 C ATOM 584 O SER A 40 -0.515 11.169 -3.341 1.00 0.00 O ATOM 585 CB SER A 40 1.690 11.107 -5.459 1.00 0.00 C ATOM 586 OG SER A 40 2.425 12.308 -5.556 1.00 0.00 O ATOM 0 H SER A 40 1.206 8.786 -4.955 1.00 0.00 H new ATOM 0 HA SER A 40 2.705 10.782 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.110 10.361 -6.134 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.661 11.278 -5.774 1.00 0.00 H new ATOM 0 HG SER A 40 2.402 12.632 -6.481 1.00 0.00 H new ATOM 592 N GLY A 41 1.166 11.957 -2.070 1.00 0.00 N ATOM 593 CA GLY A 41 0.337 12.811 -1.235 1.00 0.00 C ATOM 594 C GLY A 41 -0.329 12.089 -0.070 1.00 0.00 C ATOM 595 O GLY A 41 -1.253 12.647 0.532 1.00 0.00 O ATOM 0 H GLY A 41 2.145 11.933 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.950 13.622 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.435 13.267 -1.855 1.00 0.00 H new ATOM 599 N CYS A 42 0.084 10.861 0.247 1.00 0.00 N ATOM 600 CA CYS A 42 -0.395 10.093 1.388 1.00 0.00 C ATOM 601 C CYS A 42 0.311 10.556 2.679 1.00 0.00 C ATOM 602 O CYS A 42 1.017 9.768 3.298 1.00 0.00 O ATOM 603 CB CYS A 42 -0.140 8.598 1.129 1.00 0.00 C ATOM 604 SG CYS A 42 -1.052 7.978 -0.312 1.00 0.00 S ATOM 0 H CYS A 42 0.783 10.361 -0.303 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.465 10.255 1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.927 8.436 0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.427 8.025 2.011 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.794 6.715 -0.478 1.00 0.00 H new ATOM 610 N THR A 43 0.137 11.804 3.123 1.00 0.00 N ATOM 611 CA THR A 43 1.028 12.408 4.127 1.00 0.00 C ATOM 612 C THR A 43 1.023 11.724 5.515 1.00 0.00 C ATOM 613 O THR A 43 1.899 11.999 6.342 1.00 0.00 O ATOM 614 CB THR A 43 0.748 13.923 4.223 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.599 14.188 4.576 1.00 0.00 O ATOM 616 CG2 THR A 43 1.029 14.658 2.907 1.00 0.00 C ATOM 0 H THR A 43 -0.612 12.419 2.805 1.00 0.00 H new ATOM 0 HA THR A 43 2.045 12.242 3.770 1.00 0.00 H new ATOM 0 HB THR A 43 1.423 14.286 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.739 15.157 4.629 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.816 15.720 3.030 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.076 14.528 2.634 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.395 14.250 2.120 1.00 0.00 H new ATOM 624 N ALA A 44 0.056 10.848 5.816 1.00 0.00 N ATOM 625 CA ALA A 44 -0.002 10.104 7.075 1.00 0.00 C ATOM 626 C ALA A 44 0.446 8.641 6.930 1.00 0.00 C ATOM 627 O ALA A 44 0.406 7.916 7.922 1.00 0.00 O ATOM 628 CB ALA A 44 -1.428 10.189 7.634 1.00 0.00 C ATOM 0 H ALA A 44 -0.715 10.635 5.183 1.00 0.00 H new ATOM 0 HA ALA A 44 0.703 10.561 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.484 9.638 8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.688 11.233 7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.126 9.757 6.917 1.00 0.00 H new ATOM 634 N LEU A 45 0.804 8.188 5.727 1.00 0.00 N ATOM 635 CA LEU A 45 1.074 6.791 5.408 1.00 0.00 C ATOM 636 C LEU A 45 2.481 6.413 5.842 1.00 0.00 C ATOM 637 O LEU A 45 3.451 6.819 5.209 1.00 0.00 O ATOM 638 CB LEU A 45 0.896 6.579 3.900 1.00 0.00 C ATOM 639 CG LEU A 45 1.298 5.188 3.391 1.00 0.00 C ATOM 640 CD1 LEU A 45 0.570 4.071 4.143 1.00 0.00 C ATOM 641 CD2 LEU A 45 0.999 5.123 1.888 1.00 0.00 C ATOM 0 H LEU A 45 0.917 8.807 4.924 1.00 0.00 H new ATOM 0 HA LEU A 45 0.374 6.151 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.149 6.756 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.485 7.328 3.371 1.00 0.00 H new ATOM 0 HG LEU A 45 2.362 5.035 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.884 3.104 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.813 4.129 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.506 4.184 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.277 4.142 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.065 5.290 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.572 5.892 1.369 1.00 0.00 H new ATOM 653 N GLU A 46 2.593 5.602 6.893 1.00 0.00 N ATOM 654 CA GLU A 46 3.888 5.239 7.463 1.00 0.00 C ATOM 655 C GLU A 46 4.074 3.712 7.570 1.00 0.00 C ATOM 656 O GLU A 46 5.205 3.247 7.764 1.00 0.00 O ATOM 657 CB GLU A 46 4.089 5.995 8.792 1.00 0.00 C ATOM 658 CG GLU A 46 3.986 7.529 8.620 1.00 0.00 C ATOM 659 CD GLU A 46 4.343 8.371 9.852 1.00 0.00 C ATOM 660 OE1 GLU A 46 4.687 7.812 10.919 1.00 0.00 O ATOM 661 OE2 GLU A 46 4.262 9.620 9.752 1.00 0.00 O ATOM 0 H GLU A 46 1.795 5.181 7.370 1.00 0.00 H new ATOM 0 HA GLU A 46 4.683 5.554 6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.342 5.662 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.066 5.743 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.639 7.827 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.967 7.773 8.321 1.00 0.00 H new ATOM 668 N LYS A 47 3.013 2.914 7.348 1.00 0.00 N ATOM 669 CA LYS A 47 3.026 1.448 7.451 1.00 0.00 C ATOM 670 C LYS A 47 2.296 0.792 6.287 1.00 0.00 C ATOM 671 O LYS A 47 1.218 1.234 5.885 1.00 0.00 O ATOM 672 CB LYS A 47 2.335 1.023 8.762 1.00 0.00 C ATOM 673 CG LYS A 47 3.281 0.834 9.944 1.00 0.00 C ATOM 674 CD LYS A 47 4.000 -0.528 9.914 1.00 0.00 C ATOM 675 CE LYS A 47 4.855 -0.799 11.163 1.00 0.00 C ATOM 676 NZ LYS A 47 5.489 0.408 11.743 1.00 0.00 N ATOM 0 H LYS A 47 2.100 3.284 7.085 1.00 0.00 H new ATOM 0 HA LYS A 47 4.067 1.125 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.590 1.774 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.799 0.090 8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.023 1.633 9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.718 0.923 10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.257 -1.320 9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.637 -0.574 9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.229 -1.267 11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.634 -1.517 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.164 0.125 12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.991 0.929 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.757 1.019 12.159 1.00 0.00 H new ATOM 690 N LEU A 48 2.822 -0.342 5.835 1.00 0.00 N ATOM 691 CA LEU A 48 2.265 -1.230 4.828 1.00 0.00 C ATOM 692 C LEU A 48 2.532 -2.656 5.291 1.00 0.00 C ATOM 693 O LEU A 48 3.613 -2.943 5.797 1.00 0.00 O ATOM 694 CB LEU A 48 2.969 -0.964 3.493 1.00 0.00 C ATOM 695 CG LEU A 48 2.364 -1.767 2.327 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.707 -0.839 1.318 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.404 -2.616 1.591 1.00 0.00 C ATOM 0 H LEU A 48 3.714 -0.687 6.191 1.00 0.00 H new ATOM 0 HA LEU A 48 1.195 -1.070 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.912 0.100 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.026 -1.213 3.589 1.00 0.00 H new ATOM 0 HG LEU A 48 1.626 -2.433 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.286 -1.427 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.912 -0.275 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.451 -0.148 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.921 -3.160 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.179 -1.968 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.853 -3.325 2.286 1.00 0.00 H new ATOM 709 N ILE A 49 1.578 -3.562 5.108 1.00 0.00 N ATOM 710 CA ILE A 49 1.657 -4.956 5.524 1.00 0.00 C ATOM 711 C ILE A 49 1.227 -5.798 4.318 1.00 0.00 C ATOM 712 O ILE A 49 0.447 -5.318 3.493 1.00 0.00 O ATOM 713 CB ILE A 49 0.789 -5.171 6.790 1.00 0.00 C ATOM 714 CG1 ILE A 49 1.147 -4.203 7.952 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.914 -6.619 7.282 1.00 0.00 C ATOM 716 CD1 ILE A 49 0.215 -2.990 8.047 1.00 0.00 C ATOM 0 H ILE A 49 0.696 -3.336 4.649 1.00 0.00 H new ATOM 0 HA ILE A 49 2.664 -5.258 5.812 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.238 -4.956 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.114 -4.751 8.894 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.172 -3.855 7.821 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.299 -6.755 8.172 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.577 -7.299 6.500 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.955 -6.832 7.524 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.524 -2.358 8.880 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.265 -2.419 7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.808 -3.329 8.209 1.00 0.00 H new ATOM 728 N LEU A 50 1.740 -7.023 4.180 1.00 0.00 N ATOM 729 CA LEU A 50 1.597 -7.859 2.989 1.00 0.00 C ATOM 730 C LEU A 50 1.199 -9.279 3.402 1.00 0.00 C ATOM 731 O LEU A 50 2.041 -10.019 3.908 1.00 0.00 O ATOM 732 CB LEU A 50 2.935 -7.889 2.215 1.00 0.00 C ATOM 733 CG LEU A 50 3.422 -6.545 1.637 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.714 -6.754 0.843 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.395 -5.908 0.700 1.00 0.00 C ATOM 0 H LEU A 50 2.283 -7.473 4.917 1.00 0.00 H new ATOM 0 HA LEU A 50 0.821 -7.445 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.707 -8.274 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.839 -8.600 1.394 1.00 0.00 H new ATOM 0 HG LEU A 50 3.583 -5.881 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.051 -5.800 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.483 -7.161 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.530 -7.450 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.786 -4.964 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.197 -6.581 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.469 -5.724 1.246 1.00 0.00 H new ATOM 747 N THR A 51 -0.055 -9.686 3.187 1.00 0.00 N ATOM 748 CA THR A 51 -0.559 -11.007 3.585 1.00 0.00 C ATOM 749 C THR A 51 -0.189 -12.089 2.543 1.00 0.00 C ATOM 750 O THR A 51 -1.060 -12.839 2.079 1.00 0.00 O ATOM 751 CB THR A 51 -2.078 -10.936 3.901 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.879 -10.890 2.735 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.471 -9.758 4.794 1.00 0.00 C ATOM 0 H THR A 51 -0.756 -9.104 2.728 1.00 0.00 H new ATOM 0 HA THR A 51 -0.066 -11.313 4.508 1.00 0.00 H new ATOM 0 HB THR A 51 -2.268 -11.862 4.444 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.586 -11.585 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.547 -9.777 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.947 -9.833 5.747 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.200 -8.823 4.303 1.00 0.00 H new ATOM 761 N GLY A 52 1.060 -12.109 2.060 1.00 0.00 N ATOM 762 CA GLY A 52 1.520 -13.027 1.021 1.00 0.00 C ATOM 763 C GLY A 52 2.955 -13.471 1.278 1.00 0.00 C ATOM 764 O GLY A 52 3.832 -12.631 1.492 1.00 0.00 O ATOM 0 H GLY A 52 1.788 -11.475 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.867 -13.899 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.455 -12.541 0.047 1.00 0.00 H new ATOM 768 N GLU A 53 3.182 -14.785 1.235 1.00 0.00 N ATOM 769 CA GLU A 53 4.336 -15.499 1.750 1.00 0.00 C ATOM 770 C GLU A 53 5.492 -15.584 0.727 1.00 0.00 C ATOM 771 O GLU A 53 6.538 -16.175 1.010 1.00 0.00 O ATOM 772 CB GLU A 53 3.759 -16.857 2.192 1.00 0.00 C ATOM 773 CG GLU A 53 4.747 -17.986 2.464 1.00 0.00 C ATOM 774 CD GLU A 53 4.024 -19.276 2.846 1.00 0.00 C ATOM 775 OE1 GLU A 53 3.588 -20.029 1.938 1.00 0.00 O ATOM 776 OE2 GLU A 53 3.878 -19.526 4.059 1.00 0.00 O ATOM 0 H GLU A 53 2.509 -15.419 0.805 1.00 0.00 H new ATOM 0 HA GLU A 53 4.819 -14.990 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.175 -16.696 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.066 -17.195 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.359 -18.158 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.424 -17.694 3.267 1.00 0.00 H new ATOM 783 N ASP A 54 5.359 -14.966 -0.449 1.00 0.00 N ATOM 784 CA ASP A 54 6.411 -14.942 -1.465 1.00 0.00 C ATOM 785 C ASP A 54 6.429 -13.557 -2.111 1.00 0.00 C ATOM 786 O ASP A 54 5.350 -12.988 -2.304 1.00 0.00 O ATOM 787 CB ASP A 54 6.070 -16.016 -2.505 1.00 0.00 C ATOM 788 CG ASP A 54 7.274 -16.459 -3.326 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.727 -15.662 -4.179 1.00 0.00 O ATOM 790 OD2 ASP A 54 7.693 -17.631 -3.133 1.00 0.00 O ATOM 0 H ASP A 54 4.513 -14.466 -0.723 1.00 0.00 H new ATOM 0 HA ASP A 54 7.393 -15.142 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.646 -16.882 -1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.302 -15.632 -3.176 1.00 0.00 H new ATOM 795 N PRO A 55 7.597 -13.007 -2.485 1.00 0.00 N ATOM 796 CA PRO A 55 7.659 -11.697 -3.116 1.00 0.00 C ATOM 797 C PRO A 55 7.021 -11.699 -4.505 1.00 0.00 C ATOM 798 O PRO A 55 6.413 -10.693 -4.884 1.00 0.00 O ATOM 799 CB PRO A 55 9.143 -11.327 -3.179 1.00 0.00 C ATOM 800 CG PRO A 55 9.858 -12.673 -3.087 1.00 0.00 C ATOM 801 CD PRO A 55 8.933 -13.509 -2.216 1.00 0.00 C ATOM 0 HA PRO A 55 7.093 -10.964 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.387 -10.807 -4.105 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.426 -10.667 -2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.997 -13.122 -4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.847 -12.572 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.012 -14.568 -2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.187 -13.406 -1.161 1.00 0.00 H new ATOM 809 N SER A 56 7.124 -12.815 -5.241 1.00 0.00 N ATOM 810 CA SER A 56 6.650 -12.933 -6.620 1.00 0.00 C ATOM 811 C SER A 56 5.133 -12.732 -6.740 1.00 0.00 C ATOM 812 O SER A 56 4.628 -12.375 -7.806 1.00 0.00 O ATOM 813 CB SER A 56 7.075 -14.294 -7.184 1.00 0.00 C ATOM 814 OG SER A 56 6.544 -15.374 -6.433 1.00 0.00 O ATOM 0 H SER A 56 7.546 -13.673 -4.885 1.00 0.00 H new ATOM 0 HA SER A 56 7.107 -12.135 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.744 -14.376 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.163 -14.359 -7.191 1.00 0.00 H new ATOM 0 HG SER A 56 7.214 -15.686 -5.790 1.00 0.00 H new ATOM 820 N ALA A 57 4.405 -12.906 -5.634 1.00 0.00 N ATOM 821 CA ALA A 57 2.963 -12.756 -5.529 1.00 0.00 C ATOM 822 C ALA A 57 2.483 -11.294 -5.661 1.00 0.00 C ATOM 823 O ALA A 57 1.327 -11.004 -5.346 1.00 0.00 O ATOM 824 CB ALA A 57 2.541 -13.372 -4.190 1.00 0.00 C ATOM 0 H ALA A 57 4.833 -13.168 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 57 2.489 -13.271 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.461 -13.280 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.820 -14.426 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.042 -12.849 -3.375 1.00 0.00 H new ATOM 830 N TYR A 58 3.360 -10.361 -6.048 1.00 0.00 N ATOM 831 CA TYR A 58 3.120 -8.928 -6.150 1.00 0.00 C ATOM 832 C TYR A 58 3.858 -8.372 -7.375 1.00 0.00 C ATOM 833 O TYR A 58 4.486 -9.116 -8.133 1.00 0.00 O ATOM 834 CB TYR A 58 3.617 -8.245 -4.870 1.00 0.00 C ATOM 835 CG TYR A 58 2.889 -8.635 -3.595 1.00 0.00 C ATOM 836 CD1 TYR A 58 3.250 -9.797 -2.884 1.00 0.00 C ATOM 837 CD2 TYR A 58 1.852 -7.819 -3.112 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.589 -10.138 -1.693 1.00 0.00 C ATOM 839 CE2 TYR A 58 1.187 -8.155 -1.922 1.00 0.00 C ATOM 840 CZ TYR A 58 1.555 -9.311 -1.203 1.00 0.00 C ATOM 841 OH TYR A 58 0.911 -9.625 -0.045 1.00 0.00 O ATOM 0 H TYR A 58 4.313 -10.608 -6.313 1.00 0.00 H new ATOM 0 HA TYR A 58 2.054 -8.734 -6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.676 -8.471 -4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.534 -7.166 -4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.041 -10.430 -3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.566 -6.932 -3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.871 -11.030 -1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.390 -7.525 -1.556 1.00 0.00 H new ATOM 0 HH TYR A 58 0.229 -8.947 0.144 1.00 0.00 H new ATOM 851 N SER A 59 3.786 -7.054 -7.573 1.00 0.00 N ATOM 852 CA SER A 59 4.505 -6.317 -8.601 1.00 0.00 C ATOM 853 C SER A 59 4.876 -4.933 -8.051 1.00 0.00 C ATOM 854 O SER A 59 4.601 -4.632 -6.884 1.00 0.00 O ATOM 855 CB SER A 59 3.610 -6.221 -9.839 1.00 0.00 C ATOM 856 OG SER A 59 4.305 -5.710 -10.952 1.00 0.00 O ATOM 0 H SER A 59 3.200 -6.451 -6.995 1.00 0.00 H new ATOM 0 HA SER A 59 5.429 -6.822 -8.884 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.216 -7.208 -10.079 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.755 -5.581 -9.620 1.00 0.00 H new ATOM 0 HG SER A 59 3.755 -5.813 -11.757 1.00 0.00 H new ATOM 862 N ALA A 60 5.491 -4.092 -8.883 1.00 0.00 N ATOM 863 CA ALA A 60 5.733 -2.664 -8.715 1.00 0.00 C ATOM 864 C ALA A 60 6.216 -2.107 -10.055 1.00 0.00 C ATOM 865 O ALA A 60 6.840 -2.841 -10.830 1.00 0.00 O ATOM 866 CB ALA A 60 6.801 -2.425 -7.654 1.00 0.00 C ATOM 0 H ALA A 60 5.865 -4.426 -9.771 1.00 0.00 H new ATOM 0 HA ALA A 60 4.815 -2.169 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.969 -1.354 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.469 -2.842 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.730 -2.908 -7.957 1.00 0.00 H new ATOM 872 N GLY A 61 6.014 -0.813 -10.297 1.00 0.00 N ATOM 873 CA GLY A 61 6.889 -0.034 -11.154 1.00 0.00 C ATOM 874 C GLY A 61 8.186 0.231 -10.393 1.00 0.00 C ATOM 875 O GLY A 61 8.425 -0.321 -9.317 1.00 0.00 O ATOM 0 H GLY A 61 5.239 -0.281 -9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.094 -0.573 -12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.412 0.906 -11.432 1.00 0.00 H new ATOM 879 N ASP A 62 9.035 1.082 -10.951 1.00 0.00 N ATOM 880 CA ASP A 62 10.311 1.432 -10.324 1.00 0.00 C ATOM 881 C ASP A 62 10.032 2.248 -9.054 1.00 0.00 C ATOM 882 O ASP A 62 10.478 1.890 -7.958 1.00 0.00 O ATOM 883 CB ASP A 62 11.228 2.180 -11.315 1.00 0.00 C ATOM 884 CG ASP A 62 12.077 1.246 -12.187 1.00 0.00 C ATOM 885 OD1 ASP A 62 11.622 0.121 -12.512 1.00 0.00 O ATOM 886 OD2 ASP A 62 13.229 1.591 -12.531 1.00 0.00 O ATOM 0 H ASP A 62 8.866 1.548 -11.842 1.00 0.00 H new ATOM 0 HA ASP A 62 10.846 0.526 -10.041 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.615 2.810 -11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.889 2.843 -10.757 1.00 0.00 H new ATOM 891 N GLY A 63 9.223 3.308 -9.167 1.00 0.00 N ATOM 892 CA GLY A 63 8.834 4.173 -8.058 1.00 0.00 C ATOM 893 C GLY A 63 7.657 3.597 -7.263 1.00 0.00 C ATOM 894 O GLY A 63 6.631 4.265 -7.119 1.00 0.00 O ATOM 0 H GLY A 63 8.813 3.591 -10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.686 4.314 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.564 5.156 -8.443 1.00 0.00 H new ATOM 898 N LEU A 64 7.810 2.383 -6.713 1.00 0.00 N ATOM 899 CA LEU A 64 6.809 1.651 -5.919 1.00 0.00 C ATOM 900 C LEU A 64 6.122 2.556 -4.878 1.00 0.00 C ATOM 901 O LEU A 64 4.944 2.364 -4.572 1.00 0.00 O ATOM 902 CB LEU A 64 7.488 0.451 -5.215 1.00 0.00 C ATOM 903 CG LEU A 64 6.611 -0.276 -4.169 1.00 0.00 C ATOM 904 CD1 LEU A 64 5.208 -0.711 -4.619 1.00 0.00 C ATOM 905 CD2 LEU A 64 7.257 -1.552 -3.625 1.00 0.00 C ATOM 0 H LEU A 64 8.679 1.858 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 64 6.035 1.295 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.795 -0.269 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.395 0.803 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 64 6.518 0.512 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.699 -1.208 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.636 0.165 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.293 -1.399 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.592 -2.014 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.436 -2.247 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.204 -1.304 -3.146 1.00 0.00 H new ATOM 917 N ARG A 65 6.815 3.524 -4.275 1.00 0.00 N ATOM 918 CA ARG A 65 6.190 4.429 -3.311 1.00 0.00 C ATOM 919 C ARG A 65 6.533 5.883 -3.587 1.00 0.00 C ATOM 920 O ARG A 65 6.571 6.655 -2.639 1.00 0.00 O ATOM 921 CB ARG A 65 6.463 3.970 -1.868 1.00 0.00 C ATOM 922 CG ARG A 65 7.949 3.903 -1.473 1.00 0.00 C ATOM 923 CD ARG A 65 8.142 3.276 -0.082 1.00 0.00 C ATOM 924 NE ARG A 65 8.669 1.910 -0.194 1.00 0.00 N ATOM 925 CZ ARG A 65 7.990 0.846 -0.626 1.00 0.00 C ATOM 926 NH1 ARG A 65 6.664 0.832 -0.558 1.00 0.00 N ATOM 927 NH2 ARG A 65 8.635 -0.182 -1.160 1.00 0.00 N ATOM 0 H ARG A 65 7.806 3.700 -4.437 1.00 0.00 H new ATOM 0 HA ARG A 65 5.109 4.377 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.952 4.648 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.021 2.984 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.496 3.320 -2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.373 4.907 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.827 3.888 0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.191 3.261 0.450 1.00 0.00 H new ATOM 0 HE ARG A 65 9.639 1.762 0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.164 1.635 -0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.145 0.018 -0.888 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.652 -0.160 -1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.115 -0.995 -1.490 1.00 0.00 H new ATOM 941 N ASP A 66 6.772 6.258 -4.850 1.00 0.00 N ATOM 942 CA ASP A 66 7.057 7.653 -5.183 1.00 0.00 C ATOM 943 C ASP A 66 6.030 8.591 -4.549 1.00 0.00 C ATOM 944 O ASP A 66 4.834 8.290 -4.562 1.00 0.00 O ATOM 945 CB ASP A 66 7.108 7.912 -6.688 1.00 0.00 C ATOM 946 CG ASP A 66 7.421 9.396 -6.912 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.348 9.926 -6.250 1.00 0.00 O ATOM 948 OD2 ASP A 66 6.646 10.043 -7.652 1.00 0.00 O ATOM 0 H ASP A 66 6.773 5.621 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 66 8.048 7.856 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.871 7.289 -7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.156 7.651 -7.150 1.00 0.00 H new ATOM 953 N GLY A 67 6.514 9.685 -3.964 1.00 0.00 N ATOM 954 CA GLY A 67 5.702 10.672 -3.280 1.00 0.00 C ATOM 955 C GLY A 67 5.561 10.392 -1.781 1.00 0.00 C ATOM 956 O GLY A 67 5.304 11.321 -1.012 1.00 0.00 O ATOM 0 H GLY A 67 7.509 9.909 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.143 11.659 -3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.712 10.698 -3.734 1.00 0.00 H new ATOM 960 N ALA A 68 5.827 9.163 -1.333 1.00 0.00 N ATOM 961 CA ALA A 68 5.883 8.759 0.066 1.00 0.00 C ATOM 962 C ALA A 68 7.178 7.996 0.323 1.00 0.00 C ATOM 963 O ALA A 68 8.017 7.839 -0.568 1.00 0.00 O ATOM 964 CB ALA A 68 4.650 7.909 0.407 1.00 0.00 C ATOM 0 H ALA A 68 6.018 8.389 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 68 5.874 9.638 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.694 7.608 1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.746 8.494 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.634 7.021 -0.225 1.00 0.00 H new ATOM 970 N ASP A 69 7.372 7.528 1.551 1.00 0.00 N ATOM 971 CA ASP A 69 8.417 6.574 1.889 1.00 0.00 C ATOM 972 C ASP A 69 8.038 5.930 3.214 1.00 0.00 C ATOM 973 O ASP A 69 8.112 6.581 4.253 1.00 0.00 O ATOM 974 CB ASP A 69 9.796 7.233 1.979 1.00 0.00 C ATOM 975 CG ASP A 69 10.852 6.163 2.275 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.953 5.227 1.453 1.00 0.00 O ATOM 977 OD2 ASP A 69 11.591 6.284 3.282 1.00 0.00 O ATOM 0 H ASP A 69 6.800 7.805 2.348 1.00 0.00 H new ATOM 0 HA ASP A 69 8.492 5.825 1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.030 7.742 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.799 7.990 2.763 1.00 0.00 H new ATOM 982 N PHE A 70 7.565 4.685 3.182 1.00 0.00 N ATOM 983 CA PHE A 70 6.951 4.018 4.330 1.00 0.00 C ATOM 984 C PHE A 70 7.495 2.601 4.515 1.00 0.00 C ATOM 985 O PHE A 70 8.127 2.037 3.617 1.00 0.00 O ATOM 986 CB PHE A 70 5.430 3.998 4.127 1.00 0.00 C ATOM 987 CG PHE A 70 4.958 3.326 2.850 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.030 1.923 2.720 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.437 4.106 1.794 1.00 0.00 C ATOM 990 CE1 PHE A 70 4.515 1.310 1.571 1.00 0.00 C ATOM 991 CE2 PHE A 70 3.919 3.487 0.640 1.00 0.00 C ATOM 992 CZ PHE A 70 3.919 2.088 0.567 1.00 0.00 C ATOM 0 H PHE A 70 7.598 4.102 2.345 1.00 0.00 H new ATOM 0 HA PHE A 70 7.197 4.569 5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.973 3.491 4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.065 5.025 4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.479 1.326 3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.436 5.183 1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.577 0.238 1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.529 4.080 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.452 1.600 -0.276 1.00 0.00 H new ATOM 1002 N LEU A 71 7.187 2.000 5.667 1.00 0.00 N ATOM 1003 CA LEU A 71 7.672 0.682 6.053 1.00 0.00 C ATOM 1004 C LEU A 71 6.793 -0.437 5.502 1.00 0.00 C ATOM 1005 O LEU A 71 5.577 -0.291 5.452 1.00 0.00 O ATOM 1006 CB LEU A 71 7.694 0.606 7.584 1.00 0.00 C ATOM 1007 CG LEU A 71 8.515 -0.565 8.144 1.00 0.00 C ATOM 1008 CD1 LEU A 71 10.012 -0.317 7.930 1.00 0.00 C ATOM 1009 CD2 LEU A 71 8.194 -0.686 9.635 1.00 0.00 C ATOM 0 H LEU A 71 6.582 2.428 6.368 1.00 0.00 H new ATOM 0 HA LEU A 71 8.670 0.546 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.098 1.539 7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.670 0.524 7.947 1.00 0.00 H new ATOM 0 HG LEU A 71 8.260 -1.491 7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.581 -1.155 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.216 -0.218 6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.306 0.599 8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.763 -1.511 10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.462 0.241 10.141 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.128 -0.875 9.764 1.00 0.00 H new ATOM 1021 N ILE A 72 7.403 -1.567 5.150 1.00 0.00 N ATOM 1022 CA ILE A 72 6.790 -2.814 4.697 1.00 0.00 C ATOM 1023 C ILE A 72 6.873 -3.857 5.834 1.00 0.00 C ATOM 1024 O ILE A 72 7.881 -3.941 6.545 1.00 0.00 O ATOM 1025 CB ILE A 72 7.492 -3.293 3.404 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.650 -2.181 2.326 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.773 -4.482 2.744 1.00 0.00 C ATOM 1028 CD1 ILE A 72 9.034 -2.294 1.707 1.00 0.00 C ATOM 0 H ILE A 72 8.420 -1.640 5.176 1.00 0.00 H new ATOM 0 HA ILE A 72 5.737 -2.665 4.458 1.00 0.00 H new ATOM 0 HB ILE A 72 8.481 -3.596 3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.883 -2.287 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.517 -1.197 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.309 -4.776 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.745 -5.321 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.755 -4.192 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.158 -1.520 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.790 -2.168 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.147 -3.275 1.245 1.00 0.00 H new ATOM 1040 N CYS A 73 5.839 -4.692 5.975 1.00 0.00 N ATOM 1041 CA CYS A 73 5.810 -5.847 6.867 1.00 0.00 C ATOM 1042 C CYS A 73 5.387 -7.089 6.064 1.00 0.00 C ATOM 1043 O CYS A 73 4.475 -6.994 5.242 1.00 0.00 O ATOM 1044 CB CYS A 73 4.865 -5.593 8.054 1.00 0.00 C ATOM 1045 SG CYS A 73 5.291 -4.069 8.962 1.00 0.00 S ATOM 0 H CYS A 73 4.971 -4.575 5.452 1.00 0.00 H new ATOM 0 HA CYS A 73 6.804 -6.017 7.280 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.840 -5.523 7.691 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.904 -6.443 8.736 1.00 0.00 H new ATOM 0 HG CYS A 73 4.461 -3.905 9.949 1.00 0.00 H new ATOM 1051 N VAL A 74 6.025 -8.242 6.297 1.00 0.00 N ATOM 1052 CA VAL A 74 5.772 -9.545 5.646 1.00 0.00 C ATOM 1053 C VAL A 74 5.780 -10.637 6.728 1.00 0.00 C ATOM 1054 O VAL A 74 6.293 -10.356 7.811 1.00 0.00 O ATOM 1055 CB VAL A 74 6.853 -9.844 4.572 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.764 -8.856 3.405 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.291 -9.914 5.119 1.00 0.00 C ATOM 0 H VAL A 74 6.777 -8.300 6.984 1.00 0.00 H new ATOM 0 HA VAL A 74 4.805 -9.521 5.144 1.00 0.00 H new ATOM 0 HB VAL A 74 6.626 -10.847 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.533 -9.091 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.782 -8.931 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.914 -7.842 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.981 -10.127 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.553 -8.960 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.358 -10.705 5.866 1.00 0.00 H new ATOM 1067 N PRO A 75 5.283 -11.866 6.499 1.00 0.00 N ATOM 1068 CA PRO A 75 5.483 -12.930 7.478 1.00 0.00 C ATOM 1069 C PRO A 75 6.970 -13.282 7.551 1.00 0.00 C ATOM 1070 O PRO A 75 7.657 -13.270 6.524 1.00 0.00 O ATOM 1071 CB PRO A 75 4.670 -14.122 6.961 1.00 0.00 C ATOM 1072 CG PRO A 75 4.571 -13.882 5.454 1.00 0.00 C ATOM 1073 CD PRO A 75 4.558 -12.358 5.331 1.00 0.00 C ATOM 0 HA PRO A 75 5.165 -12.639 8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.165 -15.068 7.182 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.684 -14.162 7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.416 -14.320 4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.667 -14.325 5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.037 -12.035 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.538 -11.975 5.312 1.00 0.00 H new ATOM 1081 N GLU A 76 7.450 -13.684 8.731 1.00 0.00 N ATOM 1082 CA GLU A 76 8.833 -14.126 8.928 1.00 0.00 C ATOM 1083 C GLU A 76 9.265 -15.198 7.921 1.00 0.00 C ATOM 1084 O GLU A 76 10.421 -15.246 7.495 1.00 0.00 O ATOM 1085 CB GLU A 76 9.077 -14.636 10.350 1.00 0.00 C ATOM 1086 CG GLU A 76 8.172 -15.802 10.794 1.00 0.00 C ATOM 1087 CD GLU A 76 8.865 -16.806 11.725 1.00 0.00 C ATOM 1088 OE1 GLU A 76 10.107 -16.944 11.674 1.00 0.00 O ATOM 1089 OE2 GLU A 76 8.177 -17.534 12.472 1.00 0.00 O ATOM 0 H GLU A 76 6.887 -13.712 9.581 1.00 0.00 H new ATOM 0 HA GLU A 76 9.443 -13.239 8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.117 -14.953 10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.941 -13.807 11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.296 -15.397 11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.814 -16.329 9.909 1.00 0.00 H new ATOM 1096 N GLU A 77 8.335 -16.058 7.511 1.00 0.00 N ATOM 1097 CA GLU A 77 8.571 -17.200 6.662 1.00 0.00 C ATOM 1098 C GLU A 77 9.016 -16.754 5.267 1.00 0.00 C ATOM 1099 O GLU A 77 9.736 -17.488 4.587 1.00 0.00 O ATOM 1100 CB GLU A 77 7.259 -17.982 6.598 1.00 0.00 C ATOM 1101 CG GLU A 77 7.002 -18.738 7.908 1.00 0.00 C ATOM 1102 CD GLU A 77 5.860 -19.736 7.751 1.00 0.00 C ATOM 1103 OE1 GLU A 77 4.681 -19.335 7.872 1.00 0.00 O ATOM 1104 OE2 GLU A 77 6.149 -20.920 7.475 1.00 0.00 O ATOM 0 H GLU A 77 7.355 -15.964 7.780 1.00 0.00 H new ATOM 0 HA GLU A 77 9.370 -17.825 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.434 -17.298 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.293 -18.688 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.908 -19.262 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.763 -18.028 8.700 1.00 0.00 H new ATOM 1111 N ALA A 78 8.621 -15.547 4.855 1.00 0.00 N ATOM 1112 CA ALA A 78 8.967 -14.931 3.581 1.00 0.00 C ATOM 1113 C ALA A 78 10.077 -13.885 3.726 1.00 0.00 C ATOM 1114 O ALA A 78 10.508 -13.346 2.712 1.00 0.00 O ATOM 1115 CB ALA A 78 7.702 -14.263 3.043 1.00 0.00 C ATOM 0 H ALA A 78 8.025 -14.950 5.429 1.00 0.00 H new ATOM 0 HA ALA A 78 9.342 -15.697 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.920 -13.788 2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.924 -15.014 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.359 -13.510 3.752 1.00 0.00 H new ATOM 1121 N LEU A 79 10.537 -13.566 4.940 1.00 0.00 N ATOM 1122 CA LEU A 79 11.423 -12.427 5.182 1.00 0.00 C ATOM 1123 C LEU A 79 12.691 -12.492 4.326 1.00 0.00 C ATOM 1124 O LEU A 79 12.998 -11.554 3.588 1.00 0.00 O ATOM 1125 CB LEU A 79 11.756 -12.347 6.679 1.00 0.00 C ATOM 1126 CG LEU A 79 12.655 -11.149 7.050 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.973 -9.808 6.755 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.991 -11.226 8.540 1.00 0.00 C ATOM 0 H LEU A 79 10.304 -14.092 5.782 1.00 0.00 H new ATOM 0 HA LEU A 79 10.903 -11.516 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.827 -12.283 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.251 -13.269 6.982 1.00 0.00 H new ATOM 0 HG LEU A 79 13.559 -11.203 6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.641 -8.992 7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.741 -9.744 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.051 -9.734 7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.626 -10.384 8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.071 -11.191 9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.516 -12.159 8.747 1.00 0.00 H new ATOM 1140 N ASP A 80 13.416 -13.606 4.406 1.00 0.00 N ATOM 1141 CA ASP A 80 14.649 -13.823 3.646 1.00 0.00 C ATOM 1142 C ASP A 80 14.335 -13.914 2.150 1.00 0.00 C ATOM 1143 O ASP A 80 15.091 -13.425 1.313 1.00 0.00 O ATOM 1144 CB ASP A 80 15.337 -15.104 4.138 1.00 0.00 C ATOM 1145 CG ASP A 80 16.855 -15.067 3.975 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.536 -14.592 4.917 1.00 0.00 O ATOM 1147 OD2 ASP A 80 17.407 -15.559 2.964 1.00 0.00 O ATOM 0 H ASP A 80 13.163 -14.392 5.005 1.00 0.00 H new ATOM 0 HA ASP A 80 15.324 -12.982 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.094 -15.260 5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.939 -15.957 3.589 1.00 0.00 H new ATOM 1152 N ARG A 81 13.169 -14.470 1.804 1.00 0.00 N ATOM 1153 CA ARG A 81 12.677 -14.626 0.443 1.00 0.00 C ATOM 1154 C ARG A 81 12.533 -13.283 -0.265 1.00 0.00 C ATOM 1155 O ARG A 81 13.071 -13.113 -1.360 1.00 0.00 O ATOM 1156 CB ARG A 81 11.348 -15.407 0.486 1.00 0.00 C ATOM 1157 CG ARG A 81 11.193 -16.192 -0.809 1.00 0.00 C ATOM 1158 CD ARG A 81 10.053 -17.218 -0.825 1.00 0.00 C ATOM 1159 NE ARG A 81 10.106 -18.140 0.320 1.00 0.00 N ATOM 1160 CZ ARG A 81 11.077 -18.989 0.667 1.00 0.00 C ATOM 1161 NH1 ARG A 81 12.147 -19.160 -0.099 1.00 0.00 N ATOM 1162 NH2 ARG A 81 10.980 -19.655 1.812 1.00 0.00 N ATOM 0 H ARG A 81 12.519 -14.837 2.499 1.00 0.00 H new ATOM 0 HA ARG A 81 13.403 -15.191 -0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.336 -16.084 1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.511 -14.720 0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.035 -15.487 -1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.129 -16.711 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.097 -16.694 -0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.098 -17.791 -1.751 1.00 0.00 H new ATOM 0 HE ARG A 81 9.290 -18.130 0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.239 -18.638 -0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.878 -19.813 0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.170 -19.516 2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.715 -20.306 2.087 1.00 0.00 H new ATOM 1176 N TYR A 82 11.823 -12.333 0.347 1.00 0.00 N ATOM 1177 CA TYR A 82 11.710 -10.966 -0.150 1.00 0.00 C ATOM 1178 C TYR A 82 13.097 -10.329 -0.251 1.00 0.00 C ATOM 1179 O TYR A 82 13.390 -9.627 -1.217 1.00 0.00 O ATOM 1180 CB TYR A 82 10.806 -10.127 0.766 1.00 0.00 C ATOM 1181 CG TYR A 82 9.305 -10.235 0.527 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.609 -11.428 0.803 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.584 -9.111 0.079 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.208 -11.490 0.695 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.185 -9.164 -0.032 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.484 -10.348 0.298 1.00 0.00 C ATOM 1187 OH TYR A 82 5.123 -10.387 0.267 1.00 0.00 O ATOM 0 H TYR A 82 11.306 -12.496 1.211 1.00 0.00 H new ATOM 0 HA TYR A 82 11.259 -10.995 -1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.008 -10.412 1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.093 -9.081 0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.159 -12.308 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.110 -8.204 -0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.688 -12.411 0.916 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.641 -8.295 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 82 4.808 -11.196 0.723 1.00 0.00 H new ATOM 1197 N ARG A 83 13.968 -10.566 0.731 1.00 0.00 N ATOM 1198 CA ARG A 83 15.307 -9.984 0.727 1.00 0.00 C ATOM 1199 C ARG A 83 16.237 -10.584 -0.332 1.00 0.00 C ATOM 1200 O ARG A 83 17.243 -9.952 -0.643 1.00 0.00 O ATOM 1201 CB ARG A 83 15.903 -10.103 2.128 1.00 0.00 C ATOM 1202 CG ARG A 83 15.231 -9.127 3.108 1.00 0.00 C ATOM 1203 CD ARG A 83 15.968 -9.125 4.448 1.00 0.00 C ATOM 1204 NE ARG A 83 17.311 -8.535 4.308 1.00 0.00 N ATOM 1205 CZ ARG A 83 17.605 -7.234 4.414 1.00 0.00 C ATOM 1206 NH1 ARG A 83 16.683 -6.350 4.788 1.00 0.00 N ATOM 1207 NH2 ARG A 83 18.821 -6.793 4.120 1.00 0.00 N ATOM 0 H ARG A 83 13.768 -11.157 1.538 1.00 0.00 H new ATOM 0 HA ARG A 83 15.210 -8.934 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.784 -11.124 2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.973 -9.902 2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.228 -8.122 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.190 -9.412 3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.393 -8.561 5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.052 -10.145 4.823 1.00 0.00 H new ATOM 0 HE ARG A 83 18.083 -9.173 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.735 -6.661 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.925 -5.362 4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.540 -7.447 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.037 -5.800 4.203 1.00 0.00 H new ATOM 1221 N ARG A 84 15.930 -11.750 -0.905 1.00 0.00 N ATOM 1222 CA ARG A 84 16.715 -12.376 -1.974 1.00 0.00 C ATOM 1223 C ARG A 84 16.114 -12.146 -3.359 1.00 0.00 C ATOM 1224 O ARG A 84 16.634 -12.701 -4.332 1.00 0.00 O ATOM 1225 CB ARG A 84 16.883 -13.875 -1.665 1.00 0.00 C ATOM 1226 CG ARG A 84 17.948 -14.070 -0.584 1.00 0.00 C ATOM 1227 CD ARG A 84 18.232 -15.554 -0.354 1.00 0.00 C ATOM 1228 NE ARG A 84 19.498 -15.714 0.372 1.00 0.00 N ATOM 1229 CZ ARG A 84 20.062 -16.870 0.718 1.00 0.00 C ATOM 1230 NH1 ARG A 84 19.462 -18.017 0.436 1.00 0.00 N ATOM 1231 NH2 ARG A 84 21.234 -16.877 1.341 1.00 0.00 N ATOM 0 H ARG A 84 15.113 -12.297 -0.634 1.00 0.00 H new ATOM 0 HA ARG A 84 17.696 -11.902 -2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.934 -14.295 -1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.169 -14.412 -2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.866 -13.562 -0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.614 -13.612 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 84 17.418 -16.005 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.282 -16.076 -1.310 1.00 0.00 H new ATOM 0 HE ARG A 84 19.991 -14.861 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.564 -18.017 -0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.898 -18.900 0.703 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.703 -15.997 1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.666 -17.762 1.606 1.00 0.00 H new ATOM 1245 N ASP A 85 15.055 -11.345 -3.462 1.00 0.00 N ATOM 1246 CA ASP A 85 14.332 -11.040 -4.697 1.00 0.00 C ATOM 1247 C ASP A 85 15.210 -10.344 -5.753 1.00 0.00 C ATOM 1248 O ASP A 85 16.383 -10.074 -5.507 1.00 0.00 O ATOM 1249 CB ASP A 85 13.135 -10.183 -4.287 1.00 0.00 C ATOM 1250 CG ASP A 85 12.172 -9.978 -5.438 1.00 0.00 C ATOM 1251 OD1 ASP A 85 11.568 -10.977 -5.872 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.118 -8.838 -5.931 1.00 0.00 O ATOM 0 H ASP A 85 14.659 -10.869 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 85 14.010 -11.960 -5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.614 -10.660 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.486 -9.215 -3.929 1.00 0.00 H new ATOM 1257 N TYR A 86 14.678 -10.045 -6.942 1.00 0.00 N ATOM 1258 CA TYR A 86 15.402 -9.305 -7.975 1.00 0.00 C ATOM 1259 C TYR A 86 15.055 -7.811 -7.973 1.00 0.00 C ATOM 1260 O TYR A 86 15.862 -7.015 -8.449 1.00 0.00 O ATOM 1261 CB TYR A 86 15.115 -9.944 -9.343 1.00 0.00 C ATOM 1262 CG TYR A 86 16.003 -9.439 -10.470 1.00 0.00 C ATOM 1263 CD1 TYR A 86 17.245 -10.052 -10.717 1.00 0.00 C ATOM 1264 CD2 TYR A 86 15.598 -8.350 -11.263 1.00 0.00 C ATOM 1265 CE1 TYR A 86 18.077 -9.587 -11.752 1.00 0.00 C ATOM 1266 CE2 TYR A 86 16.429 -7.866 -12.289 1.00 0.00 C ATOM 1267 CZ TYR A 86 17.669 -8.490 -12.546 1.00 0.00 C ATOM 1268 OH TYR A 86 18.478 -8.046 -13.545 1.00 0.00 O ATOM 0 H TYR A 86 13.731 -10.311 -7.214 1.00 0.00 H new ATOM 0 HA TYR A 86 16.469 -9.366 -7.761 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.235 -11.024 -9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.074 -9.758 -9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.562 -10.885 -10.108 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.642 -7.882 -11.082 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.026 -10.067 -11.940 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.119 -7.017 -12.880 1.00 0.00 H new ATOM 0 HH TYR A 86 18.053 -7.287 -13.997 1.00 0.00 H new ATOM 1278 N PHE A 87 13.926 -7.397 -7.401 1.00 0.00 N ATOM 1279 CA PHE A 87 13.535 -6.002 -7.265 1.00 0.00 C ATOM 1280 C PHE A 87 13.529 -5.585 -5.796 1.00 0.00 C ATOM 1281 O PHE A 87 14.207 -4.626 -5.438 1.00 0.00 O ATOM 1282 CB PHE A 87 12.176 -5.759 -7.925 1.00 0.00 C ATOM 1283 CG PHE A 87 11.722 -4.317 -7.802 1.00 0.00 C ATOM 1284 CD1 PHE A 87 12.405 -3.290 -8.482 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.634 -3.994 -6.970 1.00 0.00 C ATOM 1286 CE1 PHE A 87 11.985 -1.956 -8.348 1.00 0.00 C ATOM 1287 CE2 PHE A 87 10.212 -2.661 -6.847 1.00 0.00 C ATOM 1288 CZ PHE A 87 10.872 -1.643 -7.552 1.00 0.00 C ATOM 0 H PHE A 87 13.241 -8.044 -7.010 1.00 0.00 H new ATOM 0 HA PHE A 87 14.269 -5.382 -7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.234 -6.030 -8.979 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.432 -6.411 -7.468 1.00 0.00 H new ATOM 0 HD1 PHE A 87 13.253 -3.528 -9.107 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.123 -4.774 -6.425 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.520 -1.169 -8.859 1.00 0.00 H new ATOM 0 HE2 PHE A 87 9.376 -2.418 -6.207 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.525 -0.623 -7.482 1.00 0.00 H new ATOM 1298 N TRP A 88 12.816 -6.305 -4.922 1.00 0.00 N ATOM 1299 CA TRP A 88 12.596 -5.899 -3.531 1.00 0.00 C ATOM 1300 C TRP A 88 13.897 -5.705 -2.727 1.00 0.00 C ATOM 1301 O TRP A 88 13.860 -5.038 -1.694 1.00 0.00 O ATOM 1302 CB TRP A 88 11.631 -6.872 -2.833 1.00 0.00 C ATOM 1303 CG TRP A 88 10.194 -6.803 -3.275 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.620 -7.555 -4.242 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.125 -5.948 -2.761 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.300 -7.197 -4.397 1.00 0.00 N ATOM 1307 CE2 TRP A 88 7.938 -6.201 -3.512 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.036 -4.974 -1.740 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.744 -5.492 -3.300 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 7.825 -4.304 -1.476 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.682 -4.559 -2.253 1.00 0.00 C ATOM 0 H TRP A 88 12.373 -7.192 -5.163 1.00 0.00 H new ATOM 0 HA TRP A 88 12.135 -4.912 -3.564 1.00 0.00 H new ATOM 0 HB2 TRP A 88 11.992 -7.888 -2.993 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.670 -6.685 -1.760 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.124 -8.324 -4.809 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.668 -7.615 -5.080 1.00 0.00 H new ATOM 0 HE3 TRP A 88 9.911 -4.740 -1.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.886 -5.662 -3.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.775 -3.588 -0.669 1.00 0.00 H new ATOM 0 HH2 TRP A 88 5.759 -4.039 -2.045 1.00 0.00 H new ATOM 1322 N GLN A 89 15.041 -6.204 -3.209 1.00 0.00 N ATOM 1323 CA GLN A 89 16.380 -5.923 -2.697 1.00 0.00 C ATOM 1324 C GLN A 89 16.681 -4.452 -2.420 1.00 0.00 C ATOM 1325 O GLN A 89 17.274 -4.163 -1.379 1.00 0.00 O ATOM 1326 CB GLN A 89 17.427 -6.500 -3.656 1.00 0.00 C ATOM 1327 CG GLN A 89 17.509 -8.013 -3.463 1.00 0.00 C ATOM 1328 CD GLN A 89 18.680 -8.662 -4.201 1.00 0.00 C ATOM 1329 OE1 GLN A 89 19.278 -9.610 -3.693 1.00 0.00 O ATOM 1330 NE2 GLN A 89 19.059 -8.185 -5.378 1.00 0.00 N ATOM 0 H GLN A 89 15.055 -6.844 -4.003 1.00 0.00 H new ATOM 0 HA GLN A 89 16.425 -6.407 -1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.160 -6.267 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.399 -6.045 -3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.596 -8.231 -2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.579 -8.466 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.560 -7.399 -5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.850 -8.604 -5.867 1.00 0.00 H new ATOM 1339 N THR A 90 16.313 -3.518 -3.299 1.00 0.00 N ATOM 1340 CA THR A 90 16.641 -2.116 -3.110 1.00 0.00 C ATOM 1341 C THR A 90 15.853 -1.589 -1.909 1.00 0.00 C ATOM 1342 O THR A 90 16.386 -0.944 -1.004 1.00 0.00 O ATOM 1343 CB THR A 90 16.275 -1.364 -4.403 1.00 0.00 C ATOM 1344 OG1 THR A 90 15.244 -1.981 -5.146 1.00 0.00 O ATOM 1345 CG2 THR A 90 17.479 -1.415 -5.337 1.00 0.00 C ATOM 0 H THR A 90 15.786 -3.715 -4.150 1.00 0.00 H new ATOM 0 HA THR A 90 17.703 -1.972 -2.909 1.00 0.00 H new ATOM 0 HB THR A 90 15.965 -0.366 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 90 14.374 -1.675 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.245 -0.888 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.334 -0.940 -4.855 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.721 -2.454 -5.562 1.00 0.00 H new ATOM 1353 N TYR A 91 14.570 -1.943 -1.869 1.00 0.00 N ATOM 1354 CA TYR A 91 13.622 -1.612 -0.826 1.00 0.00 C ATOM 1355 C TYR A 91 13.813 -2.456 0.442 1.00 0.00 C ATOM 1356 O TYR A 91 13.021 -2.328 1.377 1.00 0.00 O ATOM 1357 CB TYR A 91 12.213 -1.759 -1.410 1.00 0.00 C ATOM 1358 CG TYR A 91 11.939 -0.734 -2.497 1.00 0.00 C ATOM 1359 CD1 TYR A 91 12.247 -1.003 -3.845 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.457 0.535 -2.137 1.00 0.00 C ATOM 1361 CE1 TYR A 91 12.075 -0.012 -4.829 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.206 1.509 -3.120 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.515 1.238 -4.476 1.00 0.00 C ATOM 1364 OH TYR A 91 11.310 2.205 -5.407 1.00 0.00 O ATOM 0 H TYR A 91 14.147 -2.501 -2.611 1.00 0.00 H new ATOM 0 HA TYR A 91 13.787 -0.584 -0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.093 -2.762 -1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.477 -1.649 -0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.618 -1.978 -4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.278 0.765 -1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.369 -0.205 -5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.779 2.461 -2.842 1.00 0.00 H new ATOM 0 HH TYR A 91 11.042 1.792 -6.254 1.00 0.00 H new ATOM 1374 N ALA A 92 14.852 -3.299 0.535 1.00 0.00 N ATOM 1375 CA ALA A 92 15.030 -4.216 1.655 1.00 0.00 C ATOM 1376 C ALA A 92 15.229 -3.470 2.971 1.00 0.00 C ATOM 1377 O ALA A 92 14.945 -4.027 4.034 1.00 0.00 O ATOM 1378 CB ALA A 92 16.197 -5.167 1.385 1.00 0.00 C ATOM 0 H ALA A 92 15.589 -3.359 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 92 14.117 -4.803 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.317 -5.845 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.995 -5.744 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.112 -4.591 1.250 1.00 0.00 H new ATOM 1384 N ALA A 93 15.646 -2.202 2.900 1.00 0.00 N ATOM 1385 CA ALA A 93 15.813 -1.343 4.054 1.00 0.00 C ATOM 1386 C ALA A 93 14.505 -1.055 4.804 1.00 0.00 C ATOM 1387 O ALA A 93 14.557 -0.519 5.912 1.00 0.00 O ATOM 1388 CB ALA A 93 16.474 -0.035 3.636 1.00 0.00 C ATOM 0 H ALA A 93 15.879 -1.745 2.018 1.00 0.00 H new ATOM 0 HA ALA A 93 16.452 -1.885 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.596 0.606 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.451 -0.244 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.848 0.470 2.900 1.00 0.00 H new ATOM 1394 N TRP A 94 13.352 -1.415 4.234 1.00 0.00 N ATOM 1395 CA TRP A 94 12.037 -1.230 4.836 1.00 0.00 C ATOM 1396 C TRP A 94 11.318 -2.564 5.036 1.00 0.00 C ATOM 1397 O TRP A 94 10.164 -2.554 5.441 1.00 0.00 O ATOM 1398 CB TRP A 94 11.215 -0.253 3.980 1.00 0.00 C ATOM 1399 CG TRP A 94 11.763 1.137 3.919 1.00 0.00 C ATOM 1400 CD1 TRP A 94 11.415 2.178 4.710 1.00 0.00 C ATOM 1401 CD2 TRP A 94 12.758 1.651 2.990 1.00 0.00 C ATOM 1402 NE1 TRP A 94 12.180 3.278 4.375 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.065 2.989 3.357 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.433 1.113 1.875 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.063 3.718 2.702 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.405 1.854 1.178 1.00 0.00 C ATOM 1407 CH2 TRP A 94 14.732 3.152 1.604 1.00 0.00 C ATOM 0 H TRP A 94 13.311 -1.855 3.315 1.00 0.00 H new ATOM 0 HA TRP A 94 12.159 -0.799 5.830 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.148 -0.647 2.966 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.200 -0.212 4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.659 2.153 5.481 1.00 0.00 H new ATOM 0 HE1 TRP A 94 12.101 4.190 4.824 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.199 0.110 1.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.318 4.712 3.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.898 1.426 0.318 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.497 3.714 1.088 1.00 0.00 H new ATOM 1418 N ILE A 95 11.958 -3.707 4.750 1.00 0.00 N ATOM 1419 CA ILE A 95 11.316 -5.022 4.764 1.00 0.00 C ATOM 1420 C ILE A 95 11.615 -5.673 6.116 1.00 0.00 C ATOM 1421 O ILE A 95 12.716 -6.184 6.335 1.00 0.00 O ATOM 1422 CB ILE A 95 11.769 -5.867 3.544 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.284 -5.181 2.250 1.00 0.00 C ATOM 1424 CG2 ILE A 95 11.250 -7.318 3.559 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.736 -5.863 0.956 1.00 0.00 C ATOM 0 H ILE A 95 12.946 -3.741 4.500 1.00 0.00 H new ATOM 0 HA ILE A 95 10.234 -4.939 4.661 1.00 0.00 H new ATOM 0 HB ILE A 95 12.856 -5.922 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.195 -5.141 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.641 -4.151 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.610 -7.842 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.612 -7.825 4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.160 -7.315 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.348 -5.312 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.825 -5.879 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.357 -6.885 0.932 1.00 0.00 H new ATOM 1437 N GLN A 96 10.644 -5.635 7.034 1.00 0.00 N ATOM 1438 CA GLN A 96 10.696 -6.341 8.317 1.00 0.00 C ATOM 1439 C GLN A 96 9.554 -7.368 8.475 1.00 0.00 C ATOM 1440 O GLN A 96 8.612 -7.359 7.676 1.00 0.00 O ATOM 1441 CB GLN A 96 10.811 -5.360 9.503 1.00 0.00 C ATOM 1442 CG GLN A 96 10.314 -3.918 9.365 1.00 0.00 C ATOM 1443 CD GLN A 96 10.819 -3.054 10.531 1.00 0.00 C ATOM 1444 OE1 GLN A 96 11.457 -2.024 10.330 1.00 0.00 O ATOM 1445 NE2 GLN A 96 10.559 -3.420 11.773 1.00 0.00 N ATOM 0 H GLN A 96 9.784 -5.102 6.903 1.00 0.00 H new ATOM 0 HA GLN A 96 11.612 -6.932 8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.278 -5.806 10.343 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.864 -5.313 9.782 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.658 -3.499 8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.224 -3.905 9.342 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.030 -4.273 11.953 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.887 -2.849 12.552 1.00 0.00 H new ATOM 1454 N PRO A 97 9.650 -8.290 9.452 1.00 0.00 N ATOM 1455 CA PRO A 97 8.606 -9.267 9.743 1.00 0.00 C ATOM 1456 C PRO A 97 7.376 -8.633 10.414 1.00 0.00 C ATOM 1457 O PRO A 97 7.396 -7.472 10.837 1.00 0.00 O ATOM 1458 CB PRO A 97 9.258 -10.317 10.651 1.00 0.00 C ATOM 1459 CG PRO A 97 10.345 -9.525 11.361 1.00 0.00 C ATOM 1460 CD PRO A 97 10.814 -8.561 10.282 1.00 0.00 C ATOM 0 HA PRO A 97 8.227 -9.709 8.821 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.543 -10.742 11.355 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.672 -11.146 10.077 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.958 -8.999 12.234 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.153 -10.168 11.709 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.202 -7.642 10.722 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.620 -8.998 9.693 1.00 0.00 H new ATOM 1468 N MET A 98 6.304 -9.418 10.500 1.00 0.00 N ATOM 1469 CA MET A 98 5.069 -9.148 11.232 1.00 0.00 C ATOM 1470 C MET A 98 5.184 -9.551 12.714 1.00 0.00 C ATOM 1471 O MET A 98 6.147 -10.204 13.123 1.00 0.00 O ATOM 1472 CB MET A 98 3.919 -9.906 10.542 1.00 0.00 C ATOM 1473 CG MET A 98 3.457 -9.156 9.292 1.00 0.00 C ATOM 1474 SD MET A 98 1.796 -9.578 8.710 1.00 0.00 S ATOM 1475 CE MET A 98 2.160 -10.960 7.602 1.00 0.00 C ATOM 0 H MET A 98 6.274 -10.321 10.027 1.00 0.00 H new ATOM 0 HA MET A 98 4.871 -8.076 11.217 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.248 -10.909 10.271 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.084 -10.021 11.234 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.492 -8.086 9.496 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.167 -9.351 8.488 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.328 -11.664 7.612 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.306 -10.585 6.589 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.066 -11.465 7.936 1.00 0.00 H new ATOM 1485 N GLU A 99 4.204 -9.150 13.526 1.00 0.00 N ATOM 1486 CA GLU A 99 3.917 -9.663 14.865 1.00 0.00 C ATOM 1487 C GLU A 99 3.023 -10.900 14.726 1.00 0.00 C ATOM 1488 O GLU A 99 2.531 -11.187 13.629 1.00 0.00 O ATOM 1489 CB GLU A 99 3.186 -8.571 15.680 1.00 0.00 C ATOM 1490 CG GLU A 99 3.937 -8.148 16.944 1.00 0.00 C ATOM 1491 CD GLU A 99 3.824 -9.116 18.112 1.00 0.00 C ATOM 1492 OE1 GLU A 99 4.223 -10.291 17.972 1.00 0.00 O ATOM 1493 OE2 GLU A 99 3.463 -8.649 19.219 1.00 0.00 O ATOM 0 H GLU A 99 3.552 -8.416 13.250 1.00 0.00 H new ATOM 0 HA GLU A 99 4.840 -9.931 15.379 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.035 -7.697 15.047 1.00 0.00 H new ATOM 0 HB3 GLU A 99 2.198 -8.937 15.959 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.991 -8.021 16.697 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.565 -7.174 17.261 1.00 0.00 H new ATOM 1500 N GLN A 100 2.777 -11.596 15.835 1.00 0.00 N ATOM 1501 CA GLN A 100 2.000 -12.824 15.894 1.00 0.00 C ATOM 1502 C GLN A 100 0.907 -12.758 16.957 1.00 0.00 C ATOM 1503 O GLN A 100 0.133 -13.740 17.018 1.00 0.00 O ATOM 1504 CB GLN A 100 2.938 -14.021 16.130 1.00 0.00 C ATOM 1505 CG GLN A 100 3.758 -13.945 17.436 1.00 0.00 C ATOM 1506 CD GLN A 100 3.829 -15.308 18.125 1.00 0.00 C ATOM 1507 OE1 GLN A 100 3.405 -15.459 19.272 1.00 0.00 O ATOM 1508 NE2 GLN A 100 4.322 -16.326 17.454 1.00 0.00 N ATOM 0 H GLN A 100 3.128 -11.306 16.748 1.00 0.00 H new ATOM 0 HA GLN A 100 1.494 -12.954 14.937 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.344 -14.935 16.142 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.626 -14.099 15.288 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.766 -13.593 17.216 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.307 -13.217 18.110 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.670 -16.191 16.505 1.00 0.00 H new ATOM 0 HE22 GLN A 100 4.356 -17.251 17.883 1.00 0.00 H new TER 1517 GLN A 100