USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 514 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 23 ASN : amide:sc= -0.231 X(o=-0.019,f=0.4) USER MOD Set 1.2: A 55 TYR OH : rot 37:sc= 0.212 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -11:sc= -0.246 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -176:sc= 0 (180deg=-0.0227) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 78:sc= -0.626 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0495 X(o=-0.05,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 1.03 K(o=1,f=-0.41) USER MOD Single : A 52 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.9!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.3 USER MOD Single : A 59 ASN : amide:sc= -2.18 K(o=-2.2,f=-11!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.453 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 55.089 15.888 12.497 1.00 0.00 N ATOM 2 CA GLY A 1 55.449 17.306 12.213 1.00 0.00 C ATOM 3 C GLY A 1 56.357 17.367 10.984 1.00 0.00 C ATOM 4 O GLY A 1 57.445 16.820 10.979 1.00 0.00 O ATOM 0 H1 GLY A 1 54.472 15.847 13.333 1.00 0.00 H new ATOM 0 H2 GLY A 1 54.590 15.486 11.678 1.00 0.00 H new ATOM 0 H3 GLY A 1 55.954 15.340 12.679 1.00 0.00 H new ATOM 0 HA2 GLY A 1 54.547 17.894 12.041 1.00 0.00 H new ATOM 0 HA3 GLY A 1 55.955 17.743 13.074 1.00 0.00 H new ATOM 10 N SER A 2 55.918 18.029 9.945 1.00 0.00 N ATOM 11 CA SER A 2 56.750 18.132 8.707 1.00 0.00 C ATOM 12 C SER A 2 56.471 19.455 7.991 1.00 0.00 C ATOM 13 O SER A 2 55.651 20.243 8.423 1.00 0.00 O ATOM 14 CB SER A 2 56.317 16.950 7.841 1.00 0.00 C ATOM 15 OG SER A 2 57.436 16.476 7.102 1.00 0.00 O ATOM 0 H SER A 2 55.017 18.504 9.900 1.00 0.00 H new ATOM 0 HA SER A 2 57.818 18.109 8.923 1.00 0.00 H new ATOM 0 HB2 SER A 2 55.916 16.153 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 2 55.520 17.254 7.162 1.00 0.00 H new ATOM 0 HG SER A 2 57.163 15.716 6.546 1.00 0.00 H new ATOM 21 N MET A 3 57.147 19.700 6.898 1.00 0.00 N ATOM 22 CA MET A 3 56.928 20.970 6.143 1.00 0.00 C ATOM 23 C MET A 3 57.308 20.784 4.671 1.00 0.00 C ATOM 24 O MET A 3 57.874 21.664 4.052 1.00 0.00 O ATOM 25 CB MET A 3 57.851 21.992 6.810 1.00 0.00 C ATOM 26 CG MET A 3 57.158 23.355 6.857 1.00 0.00 C ATOM 27 SD MET A 3 57.523 24.271 5.338 1.00 0.00 S ATOM 28 CE MET A 3 57.825 25.879 6.109 1.00 0.00 C ATOM 0 H MET A 3 57.843 19.073 6.495 1.00 0.00 H new ATOM 0 HA MET A 3 55.885 21.287 6.164 1.00 0.00 H new ATOM 0 HB2 MET A 3 58.103 21.666 7.819 1.00 0.00 H new ATOM 0 HB3 MET A 3 58.787 22.067 6.257 1.00 0.00 H new ATOM 0 HG2 MET A 3 56.081 23.224 6.965 1.00 0.00 H new ATOM 0 HG3 MET A 3 57.499 23.919 7.725 1.00 0.00 H new ATOM 0 HE1 MET A 3 58.073 26.611 5.340 1.00 0.00 H new ATOM 0 HE2 MET A 3 56.930 26.201 6.641 1.00 0.00 H new ATOM 0 HE3 MET A 3 58.655 25.796 6.811 1.00 0.00 H new ATOM 38 N SER A 4 57.000 19.641 4.112 1.00 0.00 N ATOM 39 CA SER A 4 57.339 19.386 2.680 1.00 0.00 C ATOM 40 C SER A 4 56.598 18.145 2.174 1.00 0.00 C ATOM 41 O SER A 4 56.360 17.210 2.915 1.00 0.00 O ATOM 42 CB SER A 4 58.849 19.151 2.667 1.00 0.00 C ATOM 43 OG SER A 4 59.174 18.134 3.604 1.00 0.00 O ATOM 0 H SER A 4 56.527 18.872 4.587 1.00 0.00 H new ATOM 0 HA SER A 4 57.050 20.214 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 4 59.175 18.859 1.669 1.00 0.00 H new ATOM 0 HB3 SER A 4 59.374 20.073 2.917 1.00 0.00 H new ATOM 0 HG SER A 4 60.142 17.980 3.597 1.00 0.00 H new ATOM 49 N THR A 5 56.233 18.135 0.917 1.00 0.00 N ATOM 50 CA THR A 5 55.505 16.958 0.353 1.00 0.00 C ATOM 51 C THR A 5 56.191 16.477 -0.929 1.00 0.00 C ATOM 52 O THR A 5 55.548 16.239 -1.934 1.00 0.00 O ATOM 53 CB THR A 5 54.097 17.471 0.048 1.00 0.00 C ATOM 54 OG1 THR A 5 53.643 18.272 1.130 1.00 0.00 O ATOM 55 CG2 THR A 5 53.150 16.286 -0.144 1.00 0.00 C ATOM 0 H THR A 5 56.408 18.892 0.256 1.00 0.00 H new ATOM 0 HA THR A 5 55.490 16.113 1.041 1.00 0.00 H new ATOM 0 HB THR A 5 54.117 18.068 -0.864 1.00 0.00 H new ATOM 0 HG1 THR A 5 52.741 18.603 0.936 1.00 0.00 H new ATOM 0 HG21 THR A 5 52.147 16.653 -0.361 1.00 0.00 H new ATOM 0 HG22 THR A 5 53.499 15.672 -0.974 1.00 0.00 H new ATOM 0 HG23 THR A 5 53.128 15.687 0.766 1.00 0.00 H new ATOM 63 N SER A 6 57.491 16.334 -0.897 1.00 0.00 N ATOM 64 CA SER A 6 58.230 15.869 -2.111 1.00 0.00 C ATOM 65 C SER A 6 58.781 14.459 -1.885 1.00 0.00 C ATOM 66 O SER A 6 58.913 14.007 -0.764 1.00 0.00 O ATOM 67 CB SER A 6 59.370 16.870 -2.287 1.00 0.00 C ATOM 68 OG SER A 6 59.565 17.119 -3.673 1.00 0.00 O ATOM 0 H SER A 6 58.075 16.519 -0.081 1.00 0.00 H new ATOM 0 HA SER A 6 57.591 15.822 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 6 59.137 17.800 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 6 60.285 16.478 -1.844 1.00 0.00 H new ATOM 0 HG SER A 6 60.295 17.762 -3.790 1.00 0.00 H new ATOM 74 N GLU A 7 59.105 13.760 -2.948 1.00 0.00 N ATOM 75 CA GLU A 7 59.654 12.369 -2.818 1.00 0.00 C ATOM 76 C GLU A 7 58.730 11.497 -1.956 1.00 0.00 C ATOM 77 O GLU A 7 59.094 11.069 -0.876 1.00 0.00 O ATOM 78 CB GLU A 7 61.023 12.532 -2.150 1.00 0.00 C ATOM 79 CG GLU A 7 61.965 13.285 -3.091 1.00 0.00 C ATOM 80 CD GLU A 7 63.396 13.200 -2.558 1.00 0.00 C ATOM 81 OE1 GLU A 7 64.002 12.151 -2.706 1.00 0.00 O ATOM 82 OE2 GLU A 7 63.863 14.185 -2.010 1.00 0.00 O ATOM 0 H GLU A 7 59.012 14.095 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 7 59.733 11.875 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 7 60.919 13.076 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 7 61.440 11.554 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 7 61.913 12.858 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 7 61.658 14.328 -3.172 1.00 0.00 H new ATOM 89 N LEU A 8 57.538 11.234 -2.430 1.00 0.00 N ATOM 90 CA LEU A 8 56.584 10.391 -1.649 1.00 0.00 C ATOM 91 C LEU A 8 55.409 9.962 -2.534 1.00 0.00 C ATOM 92 O LEU A 8 55.505 9.932 -3.745 1.00 0.00 O ATOM 93 CB LEU A 8 56.100 11.290 -0.504 1.00 0.00 C ATOM 94 CG LEU A 8 55.838 10.440 0.755 1.00 0.00 C ATOM 95 CD1 LEU A 8 56.860 10.785 1.840 1.00 0.00 C ATOM 96 CD2 LEU A 8 54.423 10.719 1.286 1.00 0.00 C ATOM 0 H LEU A 8 57.184 11.568 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 8 57.049 9.478 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.847 12.054 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.188 11.810 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 8 55.929 9.386 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.668 10.180 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.865 10.580 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.776 11.841 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.243 10.116 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.331 11.775 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.690 10.464 0.520 1.00 0.00 H new ATOM 108 N LYS A 9 54.301 9.624 -1.927 1.00 0.00 N ATOM 109 CA LYS A 9 53.092 9.182 -2.690 1.00 0.00 C ATOM 110 C LYS A 9 53.381 7.934 -3.519 1.00 0.00 C ATOM 111 O LYS A 9 52.638 7.599 -4.419 1.00 0.00 O ATOM 112 CB LYS A 9 52.693 10.360 -3.587 1.00 0.00 C ATOM 113 CG LYS A 9 51.247 10.181 -4.055 1.00 0.00 C ATOM 114 CD LYS A 9 50.593 11.552 -4.231 1.00 0.00 C ATOM 115 CE LYS A 9 49.073 11.413 -4.106 1.00 0.00 C ATOM 116 NZ LYS A 9 48.621 10.929 -5.440 1.00 0.00 N ATOM 0 H LYS A 9 54.180 9.636 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 9 52.283 8.912 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 9 52.796 11.298 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 9 53.360 10.418 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 9 51.224 9.632 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 9 50.689 9.591 -3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 9 50.969 12.245 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 9 50.852 11.968 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 9 48.804 10.709 -3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 9 48.609 12.366 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 47.588 10.809 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 48.885 11.623 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 49.074 10.017 -5.650 1.00 0.00 H new ATOM 130 N LYS A 10 54.430 7.223 -3.190 1.00 0.00 N ATOM 131 CA LYS A 10 54.766 5.955 -3.925 1.00 0.00 C ATOM 132 C LYS A 10 56.047 5.317 -3.367 1.00 0.00 C ATOM 133 O LYS A 10 56.799 5.945 -2.653 1.00 0.00 O ATOM 134 CB LYS A 10 54.972 6.331 -5.403 1.00 0.00 C ATOM 135 CG LYS A 10 56.108 7.344 -5.514 1.00 0.00 C ATOM 136 CD LYS A 10 55.909 8.211 -6.759 1.00 0.00 C ATOM 137 CE LYS A 10 55.052 9.428 -6.404 1.00 0.00 C ATOM 138 NZ LYS A 10 54.480 9.886 -7.700 1.00 0.00 N ATOM 0 H LYS A 10 55.076 7.465 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 10 53.962 5.229 -3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.205 5.441 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.054 6.751 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.136 7.972 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 10 57.065 6.826 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 10 56.875 8.534 -7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 10 55.427 7.631 -7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.266 9.165 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 10 55.651 10.210 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.879 10.719 -7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 55.252 10.136 -8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.909 9.123 -8.117 1.00 0.00 H new ATOM 152 N VAL A 11 56.302 4.081 -3.727 1.00 0.00 N ATOM 153 CA VAL A 11 57.544 3.370 -3.260 1.00 0.00 C ATOM 154 C VAL A 11 57.710 2.077 -4.056 1.00 0.00 C ATOM 155 O VAL A 11 56.759 1.547 -4.581 1.00 0.00 O ATOM 156 CB VAL A 11 57.378 3.023 -1.764 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.842 4.197 -0.902 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.921 2.674 -1.429 1.00 0.00 C ATOM 0 H VAL A 11 55.697 3.525 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 11 58.418 4.005 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 11 57.993 2.148 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.722 3.945 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.892 4.407 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.244 5.078 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.839 2.435 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.281 3.525 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.608 1.814 -2.020 1.00 0.00 H new ATOM 168 N VAL A 12 58.904 1.557 -4.134 1.00 0.00 N ATOM 169 CA VAL A 12 59.120 0.286 -4.886 1.00 0.00 C ATOM 170 C VAL A 12 59.025 -0.894 -3.891 1.00 0.00 C ATOM 171 O VAL A 12 58.817 -0.696 -2.710 1.00 0.00 O ATOM 172 CB VAL A 12 60.540 0.462 -5.514 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.450 -0.765 -5.338 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.408 0.723 -7.011 1.00 0.00 C ATOM 0 H VAL A 12 59.741 1.957 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 12 58.386 0.076 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 12 60.997 1.300 -4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.418 -0.569 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.588 -0.966 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.990 -1.631 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.399 0.846 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.905 -0.120 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.826 1.630 -7.172 1.00 0.00 H new ATOM 184 N ALA A 13 59.192 -2.106 -4.358 1.00 0.00 N ATOM 185 CA ALA A 13 59.132 -3.288 -3.443 1.00 0.00 C ATOM 186 C ALA A 13 60.446 -4.072 -3.515 1.00 0.00 C ATOM 187 O ALA A 13 61.033 -4.213 -4.572 1.00 0.00 O ATOM 188 CB ALA A 13 57.986 -4.141 -3.975 1.00 0.00 C ATOM 0 H ALA A 13 59.368 -2.329 -5.338 1.00 0.00 H new ATOM 0 HA ALA A 13 58.981 -2.998 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.877 -5.031 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 13 57.061 -3.565 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 13 58.200 -4.438 -5.002 1.00 0.00 H new ATOM 194 N LEU A 14 60.906 -4.586 -2.403 1.00 0.00 N ATOM 195 CA LEU A 14 62.181 -5.367 -2.406 1.00 0.00 C ATOM 196 C LEU A 14 61.896 -6.857 -2.177 1.00 0.00 C ATOM 197 O LEU A 14 62.663 -7.709 -2.582 1.00 0.00 O ATOM 198 CB LEU A 14 63.008 -4.797 -1.253 1.00 0.00 C ATOM 199 CG LEU A 14 63.289 -3.316 -1.512 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.794 -2.658 -0.226 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.353 -3.184 -2.605 1.00 0.00 C ATOM 0 H LEU A 14 60.454 -4.499 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 14 62.705 -5.287 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.471 -4.917 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.945 -5.345 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 14 62.372 -2.823 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.994 -1.603 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.037 -2.752 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.711 -3.150 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.555 -2.129 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.270 -3.677 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.993 -3.652 -3.521 1.00 0.00 H new ATOM 213 N TYR A 15 60.800 -7.173 -1.533 1.00 0.00 N ATOM 214 CA TYR A 15 60.464 -8.607 -1.278 1.00 0.00 C ATOM 215 C TYR A 15 58.948 -8.820 -1.360 1.00 0.00 C ATOM 216 O TYR A 15 58.189 -7.883 -1.516 1.00 0.00 O ATOM 217 CB TYR A 15 60.966 -8.889 0.139 1.00 0.00 C ATOM 218 CG TYR A 15 62.464 -8.707 0.192 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.299 -9.550 -0.551 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.017 -7.694 0.984 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.689 -9.379 -0.502 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.405 -7.524 1.034 1.00 0.00 C ATOM 223 CZ TYR A 15 65.242 -8.367 0.292 1.00 0.00 C ATOM 224 OH TYR A 15 66.610 -8.198 0.341 1.00 0.00 O ATOM 0 H TYR A 15 60.124 -6.500 -1.173 1.00 0.00 H new ATOM 0 HA TYR A 15 60.920 -9.272 -2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.483 -8.216 0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.702 -9.905 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.872 -10.332 -1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.372 -7.044 1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.334 -10.028 -1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.831 -6.742 1.645 1.00 0.00 H new ATOM 0 HH TYR A 15 66.826 -7.451 0.938 1.00 0.00 H new ATOM 234 N ASP A 16 58.509 -10.049 -1.254 1.00 0.00 N ATOM 235 CA ASP A 16 57.043 -10.338 -1.323 1.00 0.00 C ATOM 236 C ASP A 16 56.416 -10.225 0.069 1.00 0.00 C ATOM 237 O ASP A 16 57.092 -10.347 1.074 1.00 0.00 O ATOM 238 CB ASP A 16 56.947 -11.773 -1.841 1.00 0.00 C ATOM 239 CG ASP A 16 56.914 -11.763 -3.371 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.972 -11.638 -3.965 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.832 -11.880 -3.921 1.00 0.00 O ATOM 0 H ASP A 16 59.104 -10.867 -1.122 1.00 0.00 H new ATOM 0 HA ASP A 16 56.513 -9.636 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.798 -12.356 -1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.049 -12.252 -1.451 1.00 0.00 H new ATOM 246 N TYR A 17 55.130 -9.990 0.134 1.00 0.00 N ATOM 247 CA TYR A 17 54.449 -9.864 1.456 1.00 0.00 C ATOM 248 C TYR A 17 52.930 -9.947 1.255 1.00 0.00 C ATOM 249 O TYR A 17 52.209 -8.988 1.456 1.00 0.00 O ATOM 250 CB TYR A 17 54.892 -8.486 1.980 1.00 0.00 C ATOM 251 CG TYR A 17 54.099 -8.074 3.206 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.858 -8.989 4.240 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.611 -6.766 3.304 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.129 -8.591 5.368 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.883 -6.370 4.431 1.00 0.00 C ATOM 256 CZ TYR A 17 52.641 -7.283 5.463 1.00 0.00 C ATOM 257 OH TYR A 17 51.924 -6.892 6.574 1.00 0.00 O ATOM 0 H TYR A 17 54.521 -9.880 -0.676 1.00 0.00 H new ATOM 0 HA TYR A 17 54.706 -10.654 2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 17 55.954 -8.513 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.765 -7.740 1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.234 -9.999 4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.797 -6.061 2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 17 52.943 -9.295 6.166 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.508 -5.360 4.504 1.00 0.00 H new ATOM 0 HH TYR A 17 51.696 -7.680 7.110 1.00 0.00 H new ATOM 267 N MET A 18 52.447 -11.097 0.854 1.00 0.00 N ATOM 268 CA MET A 18 50.978 -11.265 0.629 1.00 0.00 C ATOM 269 C MET A 18 50.205 -11.018 1.937 1.00 0.00 C ATOM 270 O MET A 18 50.773 -11.121 3.006 1.00 0.00 O ATOM 271 CB MET A 18 50.798 -12.714 0.157 1.00 0.00 C ATOM 272 CG MET A 18 51.342 -13.681 1.213 1.00 0.00 C ATOM 273 SD MET A 18 50.728 -15.350 0.877 1.00 0.00 S ATOM 274 CE MET A 18 50.386 -15.816 2.591 1.00 0.00 C ATOM 0 H MET A 18 53.009 -11.929 0.672 1.00 0.00 H new ATOM 0 HA MET A 18 50.594 -10.555 -0.104 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.743 -12.917 -0.025 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.319 -12.864 -0.788 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.432 -13.674 1.201 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.032 -13.362 2.208 1.00 0.00 H new ATOM 0 HE1 MET A 18 49.990 -16.831 2.620 1.00 0.00 H new ATOM 0 HE2 MET A 18 51.307 -15.769 3.172 1.00 0.00 H new ATOM 0 HE3 MET A 18 49.654 -15.129 3.016 1.00 0.00 H new ATOM 284 N PRO A 19 48.928 -10.688 1.824 1.00 0.00 N ATOM 285 CA PRO A 19 48.112 -10.422 3.030 1.00 0.00 C ATOM 286 C PRO A 19 47.936 -11.690 3.870 1.00 0.00 C ATOM 287 O PRO A 19 48.088 -12.796 3.387 1.00 0.00 O ATOM 288 CB PRO A 19 46.773 -9.964 2.442 1.00 0.00 C ATOM 289 CG PRO A 19 46.876 -9.988 0.907 1.00 0.00 C ATOM 290 CD PRO A 19 48.237 -10.559 0.512 1.00 0.00 C ATOM 0 HA PRO A 19 48.563 -9.691 3.700 1.00 0.00 H new ATOM 0 HB2 PRO A 19 45.969 -10.619 2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.531 -8.959 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.075 -10.595 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.758 -8.982 0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.142 -11.521 0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.774 -9.895 -0.165 1.00 0.00 H new ATOM 298 N MET A 20 47.604 -11.528 5.124 1.00 0.00 N ATOM 299 CA MET A 20 47.399 -12.706 6.018 1.00 0.00 C ATOM 300 C MET A 20 45.932 -12.763 6.444 1.00 0.00 C ATOM 301 O MET A 20 45.332 -13.819 6.513 1.00 0.00 O ATOM 302 CB MET A 20 48.297 -12.459 7.234 1.00 0.00 C ATOM 303 CG MET A 20 49.747 -12.276 6.782 1.00 0.00 C ATOM 304 SD MET A 20 50.867 -12.859 8.079 1.00 0.00 S ATOM 305 CE MET A 20 51.936 -11.400 8.129 1.00 0.00 C ATOM 0 H MET A 20 47.465 -10.622 5.571 1.00 0.00 H new ATOM 0 HA MET A 20 47.643 -13.649 5.529 1.00 0.00 H new ATOM 0 HB2 MET A 20 47.960 -11.573 7.772 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.226 -13.298 7.926 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.923 -12.829 5.860 1.00 0.00 H new ATOM 0 HG3 MET A 20 49.941 -11.225 6.565 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.756 -11.573 8.826 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.339 -11.210 7.134 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.358 -10.536 8.457 1.00 0.00 H new ATOM 315 N ASN A 21 45.358 -11.623 6.723 1.00 0.00 N ATOM 316 CA ASN A 21 43.927 -11.577 7.143 1.00 0.00 C ATOM 317 C ASN A 21 43.161 -10.565 6.289 1.00 0.00 C ATOM 318 O ASN A 21 42.213 -10.907 5.607 1.00 0.00 O ATOM 319 CB ASN A 21 43.958 -11.130 8.606 1.00 0.00 C ATOM 320 CG ASN A 21 44.038 -12.359 9.514 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.070 -13.078 9.668 1.00 0.00 O ATOM 322 ND2 ASN A 21 45.157 -12.632 10.126 1.00 0.00 N ATOM 0 H ASN A 21 45.822 -10.716 6.678 1.00 0.00 H new ATOM 0 HA ASN A 21 43.428 -12.539 7.022 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.815 -10.480 8.780 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.065 -10.550 8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 21 45.220 -13.449 10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 21 45.969 -12.029 9.997 1.00 0.00 H new ATOM 329 N ALA A 22 43.569 -9.324 6.324 1.00 0.00 N ATOM 330 CA ALA A 22 42.876 -8.272 5.516 1.00 0.00 C ATOM 331 C ALA A 22 43.682 -6.971 5.528 1.00 0.00 C ATOM 332 O ALA A 22 43.793 -6.290 4.525 1.00 0.00 O ATOM 333 CB ALA A 22 41.523 -8.068 6.203 1.00 0.00 C ATOM 0 H ALA A 22 44.356 -8.990 6.880 1.00 0.00 H new ATOM 0 HA ALA A 22 42.765 -8.566 4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.954 -7.308 5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 22 40.968 -9.006 6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.682 -7.744 7.231 1.00 0.00 H new ATOM 339 N ASN A 23 44.238 -6.623 6.657 1.00 0.00 N ATOM 340 CA ASN A 23 45.040 -5.361 6.754 1.00 0.00 C ATOM 341 C ASN A 23 46.219 -5.373 5.796 1.00 0.00 C ATOM 342 O ASN A 23 46.380 -4.491 4.977 1.00 0.00 O ATOM 343 CB ASN A 23 45.581 -5.328 8.176 1.00 0.00 C ATOM 344 CG ASN A 23 44.622 -4.555 9.081 1.00 0.00 C ATOM 345 OD1 ASN A 23 45.042 -3.731 9.868 1.00 0.00 O ATOM 346 ND2 ASN A 23 43.340 -4.787 9.001 1.00 0.00 N ATOM 0 H ASN A 23 44.173 -7.159 7.523 1.00 0.00 H new ATOM 0 HA ASN A 23 44.420 -4.500 6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.708 -6.344 8.550 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.565 -4.859 8.189 1.00 0.00 H new ATOM 0 HD21 ASN A 23 42.691 -4.276 9.599 1.00 0.00 H new ATOM 0 HD22 ASN A 23 42.987 -5.479 8.340 1.00 0.00 H new ATOM 353 N ASP A 24 47.071 -6.349 5.944 1.00 0.00 N ATOM 354 CA ASP A 24 48.303 -6.433 5.103 1.00 0.00 C ATOM 355 C ASP A 24 48.012 -6.171 3.614 1.00 0.00 C ATOM 356 O ASP A 24 46.985 -6.561 3.092 1.00 0.00 O ATOM 357 CB ASP A 24 48.825 -7.855 5.310 1.00 0.00 C ATOM 358 CG ASP A 24 49.414 -7.991 6.717 1.00 0.00 C ATOM 359 OD1 ASP A 24 48.936 -7.310 7.611 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.332 -8.778 6.878 1.00 0.00 O ATOM 0 H ASP A 24 46.966 -7.104 6.622 1.00 0.00 H new ATOM 0 HA ASP A 24 49.029 -5.673 5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.016 -8.573 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.585 -8.086 4.564 1.00 0.00 H new ATOM 365 N LEU A 25 48.916 -5.504 2.939 1.00 0.00 N ATOM 366 CA LEU A 25 48.713 -5.196 1.491 1.00 0.00 C ATOM 367 C LEU A 25 49.397 -6.260 0.621 1.00 0.00 C ATOM 368 O LEU A 25 50.338 -6.906 1.041 1.00 0.00 O ATOM 369 CB LEU A 25 49.365 -3.822 1.288 1.00 0.00 C ATOM 370 CG LEU A 25 49.155 -3.364 -0.160 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.689 -2.975 -0.370 1.00 0.00 C ATOM 372 CD2 LEU A 25 50.041 -2.149 -0.453 1.00 0.00 C ATOM 0 H LEU A 25 49.791 -5.158 3.333 1.00 0.00 H new ATOM 0 HA LEU A 25 47.660 -5.192 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.931 -3.097 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.430 -3.877 1.512 1.00 0.00 H new ATOM 0 HG LEU A 25 49.419 -4.180 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.543 -2.650 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.052 -3.836 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.428 -2.162 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.888 -1.827 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.779 -1.336 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.087 -2.418 -0.308 1.00 0.00 H new ATOM 384 N GLN A 26 48.922 -6.449 -0.586 1.00 0.00 N ATOM 385 CA GLN A 26 49.532 -7.475 -1.492 1.00 0.00 C ATOM 386 C GLN A 26 50.768 -6.905 -2.193 1.00 0.00 C ATOM 387 O GLN A 26 50.687 -6.419 -3.306 1.00 0.00 O ATOM 388 CB GLN A 26 48.449 -7.797 -2.526 1.00 0.00 C ATOM 389 CG GLN A 26 47.196 -8.324 -1.826 1.00 0.00 C ATOM 390 CD GLN A 26 46.021 -8.316 -2.805 1.00 0.00 C ATOM 391 OE1 GLN A 26 45.157 -7.467 -2.729 1.00 0.00 O ATOM 392 NE2 GLN A 26 45.954 -9.234 -3.731 1.00 0.00 N ATOM 0 H GLN A 26 48.136 -5.936 -0.985 1.00 0.00 H new ATOM 0 HA GLN A 26 49.852 -8.359 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 26 48.206 -6.903 -3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.819 -8.539 -3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.370 -9.336 -1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 26 46.964 -7.706 -0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.680 -9.948 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.176 -9.238 -4.390 1.00 0.00 H new ATOM 401 N LEU A 27 51.908 -6.965 -1.554 1.00 0.00 N ATOM 402 CA LEU A 27 53.146 -6.431 -2.186 1.00 0.00 C ATOM 403 C LEU A 27 53.794 -7.489 -3.084 1.00 0.00 C ATOM 404 O LEU A 27 53.258 -8.557 -3.299 1.00 0.00 O ATOM 405 CB LEU A 27 54.064 -6.071 -1.019 1.00 0.00 C ATOM 406 CG LEU A 27 53.791 -4.629 -0.581 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.907 -4.625 0.670 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.117 -3.922 -0.278 1.00 0.00 C ATOM 0 H LEU A 27 52.033 -7.361 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 27 52.942 -5.570 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.896 -6.753 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.107 -6.181 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 27 53.277 -4.102 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.716 -3.597 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.961 -5.119 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.414 -5.156 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.920 -2.896 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.637 -4.450 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.739 -3.916 -1.173 1.00 0.00 H new ATOM 420 N ARG A 28 54.949 -7.178 -3.607 1.00 0.00 N ATOM 421 CA ARG A 28 55.687 -8.117 -4.510 1.00 0.00 C ATOM 422 C ARG A 28 57.007 -7.459 -4.924 1.00 0.00 C ATOM 423 O ARG A 28 57.025 -6.318 -5.337 1.00 0.00 O ATOM 424 CB ARG A 28 54.791 -8.318 -5.740 1.00 0.00 C ATOM 425 CG ARG A 28 55.460 -9.298 -6.707 1.00 0.00 C ATOM 426 CD ARG A 28 54.493 -9.631 -7.847 1.00 0.00 C ATOM 427 NE ARG A 28 54.921 -10.971 -8.334 1.00 0.00 N ATOM 428 CZ ARG A 28 55.071 -11.183 -9.613 1.00 0.00 C ATOM 429 NH1 ARG A 28 56.178 -10.831 -10.207 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.114 -11.747 -10.298 1.00 0.00 N ATOM 0 H ARG A 28 55.426 -6.291 -3.444 1.00 0.00 H new ATOM 0 HA ARG A 28 55.908 -9.069 -4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.817 -8.700 -5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 28 54.617 -7.363 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 28 56.375 -8.862 -7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 28 55.745 -10.209 -6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.461 -9.649 -7.497 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.547 -8.886 -8.641 1.00 0.00 H new ATOM 0 HE ARG A 28 55.097 -11.723 -7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 28 56.926 -10.390 -9.672 1.00 0.00 H new ATOM 0 HH12 ARG A 28 56.295 -10.997 -11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 28 53.248 -12.022 -9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 28 54.232 -11.913 -11.298 1.00 0.00 H new ATOM 444 N LYS A 29 58.106 -8.157 -4.804 1.00 0.00 N ATOM 445 CA LYS A 29 59.430 -7.555 -5.172 1.00 0.00 C ATOM 446 C LYS A 29 59.426 -7.017 -6.609 1.00 0.00 C ATOM 447 O LYS A 29 58.997 -7.680 -7.534 1.00 0.00 O ATOM 448 CB LYS A 29 60.444 -8.694 -5.027 1.00 0.00 C ATOM 449 CG LYS A 29 61.855 -8.158 -5.274 1.00 0.00 C ATOM 450 CD LYS A 29 62.883 -9.214 -4.862 1.00 0.00 C ATOM 451 CE LYS A 29 64.277 -8.586 -4.830 1.00 0.00 C ATOM 452 NZ LYS A 29 65.209 -9.705 -5.140 1.00 0.00 N ATOM 0 H LYS A 29 58.148 -9.119 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 29 59.669 -6.705 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.378 -9.128 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.217 -9.490 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.980 -7.905 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.012 -7.241 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.632 -9.617 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.864 -10.048 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 29 64.366 -7.784 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 29 64.492 -8.152 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 66.188 -9.353 -5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 65.107 -10.451 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 64.984 -10.094 -6.078 1.00 0.00 H new ATOM 466 N GLY A 30 59.916 -5.814 -6.790 1.00 0.00 N ATOM 467 CA GLY A 30 59.964 -5.206 -8.153 1.00 0.00 C ATOM 468 C GLY A 30 58.744 -4.312 -8.371 1.00 0.00 C ATOM 469 O GLY A 30 58.794 -3.360 -9.129 1.00 0.00 O ATOM 0 H GLY A 30 60.287 -5.225 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.878 -4.623 -8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.990 -5.991 -8.909 1.00 0.00 H new ATOM 473 N ASP A 31 57.650 -4.605 -7.714 1.00 0.00 N ATOM 474 CA ASP A 31 56.429 -3.767 -7.884 1.00 0.00 C ATOM 475 C ASP A 31 56.527 -2.530 -6.992 1.00 0.00 C ATOM 476 O ASP A 31 57.272 -2.511 -6.035 1.00 0.00 O ATOM 477 CB ASP A 31 55.263 -4.660 -7.448 1.00 0.00 C ATOM 478 CG ASP A 31 54.509 -5.164 -8.681 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.155 -5.690 -9.572 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.299 -5.015 -8.713 1.00 0.00 O ATOM 0 H ASP A 31 57.552 -5.388 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 31 56.302 -3.417 -8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.636 -5.504 -6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.587 -4.102 -6.800 1.00 0.00 H new ATOM 485 N GLU A 32 55.783 -1.498 -7.295 1.00 0.00 N ATOM 486 CA GLU A 32 55.841 -0.263 -6.448 1.00 0.00 C ATOM 487 C GLU A 32 54.447 0.017 -5.884 1.00 0.00 C ATOM 488 O GLU A 32 53.523 -0.733 -6.139 1.00 0.00 O ATOM 489 CB GLU A 32 56.324 0.868 -7.367 1.00 0.00 C ATOM 490 CG GLU A 32 57.552 0.416 -8.172 1.00 0.00 C ATOM 491 CD GLU A 32 57.128 0.049 -9.597 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.038 -0.478 -9.752 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.900 0.300 -10.507 1.00 0.00 O ATOM 0 H GLU A 32 55.141 -1.454 -8.086 1.00 0.00 H new ATOM 0 HA GLU A 32 56.519 -0.365 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.523 1.160 -8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.574 1.747 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.296 1.212 -8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 32 58.020 -0.442 -7.689 1.00 0.00 H new ATOM 500 N TYR A 33 54.286 1.047 -5.080 1.00 0.00 N ATOM 501 CA TYR A 33 52.945 1.294 -4.469 1.00 0.00 C ATOM 502 C TYR A 33 52.656 2.786 -4.332 1.00 0.00 C ATOM 503 O TYR A 33 53.308 3.613 -4.933 1.00 0.00 O ATOM 504 CB TYR A 33 53.043 0.675 -3.069 1.00 0.00 C ATOM 505 CG TYR A 33 53.565 -0.738 -3.148 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.780 -1.747 -3.711 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.853 -1.022 -2.689 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.283 -3.046 -3.810 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.360 -2.316 -2.795 1.00 0.00 C ATOM 510 CZ TYR A 33 54.575 -3.328 -3.355 1.00 0.00 C ATOM 511 OH TYR A 33 55.083 -4.600 -3.477 1.00 0.00 O ATOM 0 H TYR A 33 55.015 1.714 -4.827 1.00 0.00 H new ATOM 0 HA TYR A 33 52.148 0.872 -5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.703 1.278 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 33 52.062 0.680 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.786 -1.523 -4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.456 -0.240 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.676 -3.831 -4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.358 -2.536 -2.445 1.00 0.00 H new ATOM 0 HH TYR A 33 55.371 -4.750 -4.402 1.00 0.00 H new ATOM 521 N PHE A 34 51.682 3.110 -3.514 1.00 0.00 N ATOM 522 CA PHE A 34 51.312 4.533 -3.260 1.00 0.00 C ATOM 523 C PHE A 34 51.298 4.770 -1.745 1.00 0.00 C ATOM 524 O PHE A 34 50.656 4.046 -1.011 1.00 0.00 O ATOM 525 CB PHE A 34 49.910 4.693 -3.836 1.00 0.00 C ATOM 526 CG PHE A 34 50.001 5.127 -5.279 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.061 4.167 -6.297 1.00 0.00 C ATOM 528 CD2 PHE A 34 50.028 6.490 -5.601 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.146 4.570 -7.635 1.00 0.00 C ATOM 530 CE2 PHE A 34 50.113 6.892 -6.939 1.00 0.00 C ATOM 531 CZ PHE A 34 50.172 5.932 -7.956 1.00 0.00 C ATOM 0 H PHE A 34 51.118 2.431 -3.003 1.00 0.00 H new ATOM 0 HA PHE A 34 52.008 5.242 -3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.366 3.751 -3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.351 5.429 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.042 3.116 -6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.983 7.231 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.192 3.830 -8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 34 50.133 7.943 -7.187 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.238 6.242 -8.988 1.00 0.00 H new ATOM 541 N ILE A 35 52.020 5.754 -1.272 1.00 0.00 N ATOM 542 CA ILE A 35 52.074 6.004 0.202 1.00 0.00 C ATOM 543 C ILE A 35 51.118 7.113 0.639 1.00 0.00 C ATOM 544 O ILE A 35 51.050 8.173 0.046 1.00 0.00 O ATOM 545 CB ILE A 35 53.520 6.428 0.489 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.500 5.350 0.009 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.713 6.658 1.993 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.231 4.021 0.724 1.00 0.00 C ATOM 0 H ILE A 35 52.574 6.394 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 35 51.774 5.111 0.750 1.00 0.00 H new ATOM 0 HB ILE A 35 53.719 7.355 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.403 5.216 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.524 5.671 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.743 6.959 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.036 7.443 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.497 5.736 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.936 3.268 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.352 4.155 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.213 3.693 0.512 1.00 0.00 H new ATOM 560 N LEU A 36 50.418 6.872 1.710 1.00 0.00 N ATOM 561 CA LEU A 36 49.489 7.893 2.267 1.00 0.00 C ATOM 562 C LEU A 36 50.034 8.357 3.625 1.00 0.00 C ATOM 563 O LEU A 36 49.899 9.502 4.008 1.00 0.00 O ATOM 564 CB LEU A 36 48.152 7.167 2.434 1.00 0.00 C ATOM 565 CG LEU A 36 47.500 6.973 1.065 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.988 5.661 0.448 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.979 6.920 1.229 1.00 0.00 C ATOM 0 H LEU A 36 50.451 5.996 2.232 1.00 0.00 H new ATOM 0 HA LEU A 36 49.381 8.772 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.309 6.201 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.493 7.742 3.084 1.00 0.00 H new ATOM 0 HG LEU A 36 47.770 7.805 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.523 5.523 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.071 5.694 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.718 4.830 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.512 6.782 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.712 6.088 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.628 7.853 1.670 1.00 0.00 H new ATOM 579 N GLU A 37 50.664 7.460 4.340 1.00 0.00 N ATOM 580 CA GLU A 37 51.254 7.798 5.667 1.00 0.00 C ATOM 581 C GLU A 37 52.178 6.651 6.091 1.00 0.00 C ATOM 582 O GLU A 37 52.149 5.588 5.498 1.00 0.00 O ATOM 583 CB GLU A 37 50.063 7.934 6.626 1.00 0.00 C ATOM 584 CG GLU A 37 49.256 6.631 6.652 1.00 0.00 C ATOM 585 CD GLU A 37 48.284 6.657 7.833 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.728 6.426 8.946 1.00 0.00 O ATOM 587 OE2 GLU A 37 47.112 6.908 7.605 1.00 0.00 O ATOM 0 H GLU A 37 50.796 6.490 4.053 1.00 0.00 H new ATOM 0 HA GLU A 37 51.843 8.715 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 37 50.419 8.171 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.425 8.760 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 37 48.707 6.512 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.927 5.777 6.738 1.00 0.00 H new ATOM 594 N GLU A 38 52.987 6.841 7.104 1.00 0.00 N ATOM 595 CA GLU A 38 53.890 5.738 7.542 1.00 0.00 C ATOM 596 C GLU A 38 53.684 5.430 9.020 1.00 0.00 C ATOM 597 O GLU A 38 54.515 4.810 9.653 1.00 0.00 O ATOM 598 CB GLU A 38 55.314 6.242 7.278 1.00 0.00 C ATOM 599 CG GLU A 38 55.557 7.545 8.046 1.00 0.00 C ATOM 600 CD GLU A 38 57.036 7.926 7.952 1.00 0.00 C ATOM 601 OE1 GLU A 38 57.803 7.456 8.778 1.00 0.00 O ATOM 602 OE2 GLU A 38 57.378 8.680 7.056 1.00 0.00 O ATOM 0 H GLU A 38 53.060 7.705 7.641 1.00 0.00 H new ATOM 0 HA GLU A 38 53.689 4.812 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 38 56.039 5.488 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.459 6.407 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 38 54.938 8.343 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 38 55.268 7.423 9.090 1.00 0.00 H new ATOM 609 N SER A 39 52.565 5.842 9.561 1.00 0.00 N ATOM 610 CA SER A 39 52.254 5.579 11.003 1.00 0.00 C ATOM 611 C SER A 39 53.465 5.893 11.894 1.00 0.00 C ATOM 612 O SER A 39 54.428 6.495 11.456 1.00 0.00 O ATOM 613 CB SER A 39 51.930 4.086 11.047 1.00 0.00 C ATOM 614 OG SER A 39 50.635 3.873 10.503 1.00 0.00 O ATOM 0 H SER A 39 51.842 6.357 9.058 1.00 0.00 H new ATOM 0 HA SER A 39 51.438 6.200 11.371 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.672 3.524 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.970 3.723 12.074 1.00 0.00 H new ATOM 0 HG SER A 39 50.423 2.916 10.527 1.00 0.00 H new ATOM 620 N ASN A 40 53.432 5.463 13.126 1.00 0.00 N ATOM 621 CA ASN A 40 54.592 5.698 14.032 1.00 0.00 C ATOM 622 C ASN A 40 55.475 4.445 14.045 1.00 0.00 C ATOM 623 O ASN A 40 56.037 4.081 15.062 1.00 0.00 O ATOM 624 CB ASN A 40 53.979 5.944 15.412 1.00 0.00 C ATOM 625 CG ASN A 40 54.867 6.908 16.201 1.00 0.00 C ATOM 626 OD1 ASN A 40 54.376 7.804 16.859 1.00 0.00 O ATOM 627 ND2 ASN A 40 56.163 6.761 16.165 1.00 0.00 N ATOM 0 H ASN A 40 52.651 4.958 13.545 1.00 0.00 H new ATOM 0 HA ASN A 40 55.213 6.537 13.720 1.00 0.00 H new ATOM 0 HB2 ASN A 40 52.977 6.359 15.307 1.00 0.00 H new ATOM 0 HB3 ASN A 40 53.879 5.002 15.950 1.00 0.00 H new ATOM 0 HD21 ASN A 40 56.763 7.398 16.689 1.00 0.00 H new ATOM 0 HD22 ASN A 40 56.576 6.009 15.613 1.00 0.00 H new ATOM 634 N LEU A 41 55.590 3.776 12.919 1.00 0.00 N ATOM 635 CA LEU A 41 56.426 2.534 12.858 1.00 0.00 C ATOM 636 C LEU A 41 56.782 2.200 11.389 1.00 0.00 C ATOM 637 O LEU A 41 56.156 2.720 10.487 1.00 0.00 O ATOM 638 CB LEU A 41 55.560 1.433 13.501 1.00 0.00 C ATOM 639 CG LEU A 41 54.208 1.316 12.787 1.00 0.00 C ATOM 640 CD1 LEU A 41 53.776 -0.150 12.753 1.00 0.00 C ATOM 641 CD2 LEU A 41 53.154 2.120 13.549 1.00 0.00 C ATOM 0 H LEU A 41 55.141 4.037 12.041 1.00 0.00 H new ATOM 0 HA LEU A 41 57.376 2.642 13.382 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.084 0.479 13.455 1.00 0.00 H new ATOM 0 HB3 LEU A 41 55.401 1.659 14.555 1.00 0.00 H new ATOM 0 HG LEU A 41 54.305 1.701 11.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 52.815 -0.234 12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.522 -0.737 12.217 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.683 -0.526 13.772 1.00 0.00 H new ATOM 0 HD21 LEU A 41 52.194 2.036 13.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 53.063 1.731 14.563 1.00 0.00 H new ATOM 0 HD23 LEU A 41 53.453 3.167 13.588 1.00 0.00 H new ATOM 653 N PRO A 42 57.791 1.360 11.177 1.00 0.00 N ATOM 654 CA PRO A 42 58.215 1.010 9.793 1.00 0.00 C ATOM 655 C PRO A 42 57.047 0.522 8.923 1.00 0.00 C ATOM 656 O PRO A 42 57.064 0.694 7.718 1.00 0.00 O ATOM 657 CB PRO A 42 59.247 -0.100 10.020 1.00 0.00 C ATOM 658 CG PRO A 42 59.393 -0.337 11.534 1.00 0.00 C ATOM 659 CD PRO A 42 58.561 0.713 12.279 1.00 0.00 C ATOM 0 HA PRO A 42 58.610 1.868 9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.931 -1.017 9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.207 0.182 9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.055 -1.340 11.794 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.440 -0.267 11.828 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.904 0.258 13.020 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.191 1.428 12.808 1.00 0.00 H new ATOM 667 N TRP A 43 56.034 -0.072 9.507 1.00 0.00 N ATOM 668 CA TRP A 43 54.880 -0.551 8.684 1.00 0.00 C ATOM 669 C TRP A 43 53.981 0.641 8.346 1.00 0.00 C ATOM 670 O TRP A 43 53.577 1.388 9.218 1.00 0.00 O ATOM 671 CB TRP A 43 54.143 -1.559 9.563 1.00 0.00 C ATOM 672 CG TRP A 43 55.043 -2.701 9.892 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.884 -2.720 10.935 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.201 -3.980 9.211 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.561 -3.925 10.951 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.173 -4.739 9.906 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.606 -4.553 8.072 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.541 -6.018 9.488 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.973 -5.840 7.648 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.939 -6.571 8.355 1.00 0.00 C ATOM 0 H TRP A 43 55.957 -0.245 10.509 1.00 0.00 H new ATOM 0 HA TRP A 43 55.190 -1.007 7.744 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.805 -1.076 10.480 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.254 -1.922 9.047 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.012 -1.921 11.650 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.260 -4.181 11.648 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.862 -3.999 7.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.286 -6.576 10.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.509 -6.270 6.773 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.217 -7.561 8.024 1.00 0.00 H new ATOM 691 N TRP A 44 53.693 0.844 7.085 1.00 0.00 N ATOM 692 CA TRP A 44 52.854 2.010 6.679 1.00 0.00 C ATOM 693 C TRP A 44 51.445 1.577 6.279 1.00 0.00 C ATOM 694 O TRP A 44 51.038 0.451 6.475 1.00 0.00 O ATOM 695 CB TRP A 44 53.549 2.577 5.438 1.00 0.00 C ATOM 696 CG TRP A 44 54.983 2.921 5.696 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.556 3.160 6.901 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.029 3.072 4.708 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.898 3.447 6.703 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.235 3.403 5.361 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.036 2.948 3.311 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.416 3.609 4.644 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.213 3.152 2.585 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.406 3.483 3.249 1.00 0.00 C ATOM 0 H TRP A 44 54.005 0.249 6.317 1.00 0.00 H new ATOM 0 HA TRP A 44 52.758 2.721 7.499 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.492 1.849 4.629 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.019 3.468 5.103 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.052 3.132 7.856 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.555 3.664 7.453 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.124 2.693 2.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.329 3.863 5.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.205 3.055 1.509 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.314 3.640 2.685 1.00 0.00 H new ATOM 715 N ARG A 45 50.722 2.482 5.674 1.00 0.00 N ATOM 716 CA ARG A 45 49.352 2.180 5.186 1.00 0.00 C ATOM 717 C ARG A 45 49.263 2.684 3.743 1.00 0.00 C ATOM 718 O ARG A 45 48.637 3.688 3.460 1.00 0.00 O ATOM 719 CB ARG A 45 48.410 2.963 6.102 1.00 0.00 C ATOM 720 CG ARG A 45 47.119 2.169 6.307 1.00 0.00 C ATOM 721 CD ARG A 45 46.163 2.968 7.195 1.00 0.00 C ATOM 722 NE ARG A 45 45.512 1.953 8.068 1.00 0.00 N ATOM 723 CZ ARG A 45 44.432 1.340 7.665 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.308 1.996 7.567 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.477 0.072 7.360 1.00 0.00 N ATOM 0 H ARG A 45 51.034 3.437 5.496 1.00 0.00 H new ATOM 0 HA ARG A 45 49.100 1.120 5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.891 3.149 7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.185 3.936 5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.651 1.962 5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.341 1.206 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.700 3.711 7.785 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.427 3.506 6.598 1.00 0.00 H new ATOM 0 HE ARG A 45 45.910 1.736 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 45 43.274 2.987 7.805 1.00 0.00 H new ATOM 0 HH12 ARG A 45 42.464 1.517 7.252 1.00 0.00 H new ATOM 0 HH21 ARG A 45 45.356 -0.440 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.633 -0.407 7.045 1.00 0.00 H new ATOM 739 N ALA A 46 49.926 2.009 2.840 1.00 0.00 N ATOM 740 CA ALA A 46 49.939 2.447 1.413 1.00 0.00 C ATOM 741 C ALA A 46 49.071 1.524 0.560 1.00 0.00 C ATOM 742 O ALA A 46 48.646 0.474 1.002 1.00 0.00 O ATOM 743 CB ALA A 46 51.412 2.341 0.990 1.00 0.00 C ATOM 0 H ALA A 46 50.464 1.164 3.033 1.00 0.00 H new ATOM 0 HA ALA A 46 49.541 3.454 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.514 2.646 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.019 2.991 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.749 1.310 1.101 1.00 0.00 H new ATOM 749 N ARG A 47 48.815 1.907 -0.665 1.00 0.00 N ATOM 750 CA ARG A 47 47.984 1.051 -1.561 1.00 0.00 C ATOM 751 C ARG A 47 48.816 0.577 -2.746 1.00 0.00 C ATOM 752 O ARG A 47 49.914 1.047 -2.971 1.00 0.00 O ATOM 753 CB ARG A 47 46.850 1.944 -2.051 1.00 0.00 C ATOM 754 CG ARG A 47 45.956 2.339 -0.877 1.00 0.00 C ATOM 755 CD ARG A 47 45.484 3.784 -1.050 1.00 0.00 C ATOM 756 NE ARG A 47 44.165 3.680 -1.733 1.00 0.00 N ATOM 757 CZ ARG A 47 43.198 4.496 -1.415 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.516 4.305 -0.319 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.915 5.505 -2.192 1.00 0.00 N ATOM 0 H ARG A 47 49.146 2.777 -1.083 1.00 0.00 H new ATOM 0 HA ARG A 47 47.610 0.168 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.257 2.837 -2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.264 1.421 -2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.097 1.670 -0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.503 2.235 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.391 4.287 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 47 46.192 4.362 -1.644 1.00 0.00 H new ATOM 0 HE ARG A 47 44.017 2.970 -2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.739 3.517 0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.760 4.943 -0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 47 43.450 5.656 -3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 47 42.159 6.143 -1.944 1.00 0.00 H new ATOM 773 N ASP A 48 48.297 -0.347 -3.506 1.00 0.00 N ATOM 774 CA ASP A 48 49.047 -0.859 -4.683 1.00 0.00 C ATOM 775 C ASP A 48 48.482 -0.258 -5.977 1.00 0.00 C ATOM 776 O ASP A 48 47.877 0.798 -5.967 1.00 0.00 O ATOM 777 CB ASP A 48 48.847 -2.380 -4.636 1.00 0.00 C ATOM 778 CG ASP A 48 47.363 -2.740 -4.805 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.526 -1.885 -4.564 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.092 -3.870 -5.176 1.00 0.00 O ATOM 0 H ASP A 48 47.381 -0.771 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 48 50.103 -0.591 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.433 -2.853 -5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.215 -2.771 -3.687 1.00 0.00 H new ATOM 785 N LYS A 49 48.675 -0.925 -7.088 1.00 0.00 N ATOM 786 CA LYS A 49 48.153 -0.398 -8.386 1.00 0.00 C ATOM 787 C LYS A 49 46.778 -0.999 -8.698 1.00 0.00 C ATOM 788 O LYS A 49 46.363 -1.053 -9.841 1.00 0.00 O ATOM 789 CB LYS A 49 49.179 -0.838 -9.431 1.00 0.00 C ATOM 790 CG LYS A 49 50.162 0.304 -9.700 1.00 0.00 C ATOM 791 CD LYS A 49 49.686 1.115 -10.908 1.00 0.00 C ATOM 792 CE LYS A 49 48.425 1.895 -10.535 1.00 0.00 C ATOM 793 NZ LYS A 49 48.036 2.616 -11.780 1.00 0.00 N ATOM 0 H LYS A 49 49.172 -1.813 -7.152 1.00 0.00 H new ATOM 0 HA LYS A 49 48.024 0.684 -8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.717 -1.718 -9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.674 -1.121 -10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.237 0.948 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 49 51.158 -0.096 -9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.469 1.802 -11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.480 0.450 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 49 47.631 1.226 -10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.618 2.592 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 47.177 3.175 -11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 48.808 3.250 -12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 47.851 1.927 -12.537 1.00 0.00 H new ATOM 807 N ASN A 50 46.069 -1.450 -7.691 1.00 0.00 N ATOM 808 CA ASN A 50 44.726 -2.045 -7.922 1.00 0.00 C ATOM 809 C ASN A 50 43.638 -1.147 -7.323 1.00 0.00 C ATOM 810 O ASN A 50 42.509 -1.141 -7.777 1.00 0.00 O ATOM 811 CB ASN A 50 44.761 -3.395 -7.208 1.00 0.00 C ATOM 812 CG ASN A 50 45.604 -4.381 -8.018 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.146 -4.924 -9.004 1.00 0.00 O ATOM 814 ND2 ASN A 50 46.828 -4.637 -7.643 1.00 0.00 N ATOM 0 H ASN A 50 46.369 -1.429 -6.716 1.00 0.00 H new ATOM 0 HA ASN A 50 44.500 -2.152 -8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.180 -3.278 -6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.749 -3.780 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 50 47.399 -5.292 -8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 50 47.214 -4.182 -6.816 1.00 0.00 H new ATOM 821 N GLY A 51 43.973 -0.390 -6.308 1.00 0.00 N ATOM 822 CA GLY A 51 42.967 0.510 -5.672 1.00 0.00 C ATOM 823 C GLY A 51 42.646 0.008 -4.263 1.00 0.00 C ATOM 824 O GLY A 51 41.557 0.207 -3.758 1.00 0.00 O ATOM 0 H GLY A 51 44.904 -0.358 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.353 1.528 -5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.059 0.540 -6.274 1.00 0.00 H new ATOM 828 N GLN A 52 43.587 -0.645 -3.626 1.00 0.00 N ATOM 829 CA GLN A 52 43.346 -1.165 -2.250 1.00 0.00 C ATOM 830 C GLN A 52 44.469 -0.720 -1.309 1.00 0.00 C ATOM 831 O GLN A 52 45.605 -0.556 -1.719 1.00 0.00 O ATOM 832 CB GLN A 52 43.348 -2.685 -2.404 1.00 0.00 C ATOM 833 CG GLN A 52 41.926 -3.174 -2.686 1.00 0.00 C ATOM 834 CD GLN A 52 41.672 -3.164 -4.194 1.00 0.00 C ATOM 835 OE1 GLN A 52 41.110 -2.225 -4.721 1.00 0.00 O ATOM 836 NE2 GLN A 52 42.066 -4.177 -4.916 1.00 0.00 N ATOM 0 H GLN A 52 44.514 -0.839 -4.004 1.00 0.00 H new ATOM 0 HA GLN A 52 42.413 -0.795 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.012 -2.977 -3.218 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.731 -3.152 -1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.791 -4.181 -2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.203 -2.534 -2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 52 42.538 -4.966 -4.474 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.902 -4.180 -5.923 1.00 0.00 H new ATOM 845 N GLU A 53 44.157 -0.527 -0.052 1.00 0.00 N ATOM 846 CA GLU A 53 45.198 -0.093 0.928 1.00 0.00 C ATOM 847 C GLU A 53 45.524 -1.235 1.894 1.00 0.00 C ATOM 848 O GLU A 53 44.714 -2.112 2.125 1.00 0.00 O ATOM 849 CB GLU A 53 44.580 1.092 1.684 1.00 0.00 C ATOM 850 CG GLU A 53 43.269 0.664 2.359 1.00 0.00 C ATOM 851 CD GLU A 53 43.174 1.295 3.750 1.00 0.00 C ATOM 852 OE1 GLU A 53 42.748 2.434 3.835 1.00 0.00 O ATOM 853 OE2 GLU A 53 43.531 0.626 4.707 1.00 0.00 O ATOM 0 H GLU A 53 43.223 -0.652 0.338 1.00 0.00 H new ATOM 0 HA GLU A 53 46.130 0.185 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.281 1.460 2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.391 1.914 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.418 0.972 1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.228 -0.422 2.438 1.00 0.00 H new ATOM 860 N GLY A 54 46.703 -1.224 2.462 1.00 0.00 N ATOM 861 CA GLY A 54 47.087 -2.302 3.419 1.00 0.00 C ATOM 862 C GLY A 54 48.398 -1.907 4.089 1.00 0.00 C ATOM 863 O GLY A 54 48.715 -0.737 4.170 1.00 0.00 O ATOM 0 H GLY A 54 47.417 -0.513 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.306 -2.441 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.200 -3.251 2.895 1.00 0.00 H new ATOM 867 N TYR A 55 49.158 -2.855 4.578 1.00 0.00 N ATOM 868 CA TYR A 55 50.438 -2.488 5.252 1.00 0.00 C ATOM 869 C TYR A 55 51.643 -2.672 4.323 1.00 0.00 C ATOM 870 O TYR A 55 51.683 -3.558 3.492 1.00 0.00 O ATOM 871 CB TYR A 55 50.545 -3.407 6.469 1.00 0.00 C ATOM 872 CG TYR A 55 49.617 -2.913 7.553 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.231 -2.960 7.365 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.144 -2.408 8.747 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.372 -2.500 8.370 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.286 -1.949 9.754 1.00 0.00 C ATOM 877 CZ TYR A 55 47.899 -1.995 9.564 1.00 0.00 C ATOM 878 OH TYR A 55 47.052 -1.542 10.556 1.00 0.00 O ATOM 0 H TYR A 55 48.951 -3.853 4.540 1.00 0.00 H new ATOM 0 HA TYR A 55 50.440 -1.436 5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.286 -4.429 6.191 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.572 -3.427 6.835 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.824 -3.351 6.444 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.214 -2.372 8.892 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.302 -2.535 8.224 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.693 -1.560 10.676 1.00 0.00 H new ATOM 0 HH TYR A 55 46.253 -2.109 10.588 1.00 0.00 H new ATOM 888 N ILE A 56 52.621 -1.816 4.468 1.00 0.00 N ATOM 889 CA ILE A 56 53.848 -1.882 3.619 1.00 0.00 C ATOM 890 C ILE A 56 55.088 -1.629 4.516 1.00 0.00 C ATOM 891 O ILE A 56 55.334 -0.496 4.879 1.00 0.00 O ATOM 892 CB ILE A 56 53.662 -0.740 2.596 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.670 -1.179 1.522 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.985 -0.379 1.915 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.244 -0.903 1.994 1.00 0.00 C ATOM 0 H ILE A 56 52.621 -1.060 5.152 1.00 0.00 H new ATOM 0 HA ILE A 56 53.993 -2.844 3.127 1.00 0.00 H new ATOM 0 HB ILE A 56 53.292 0.134 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.865 -0.644 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.794 -2.241 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.819 0.428 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.705 -0.056 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.375 -1.252 1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.539 -1.218 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.051 -1.458 2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.123 0.164 2.182 1.00 0.00 H new ATOM 907 N PRO A 57 55.844 -2.667 4.852 1.00 0.00 N ATOM 908 CA PRO A 57 57.044 -2.465 5.706 1.00 0.00 C ATOM 909 C PRO A 57 58.012 -1.480 5.035 1.00 0.00 C ATOM 910 O PRO A 57 58.377 -1.638 3.886 1.00 0.00 O ATOM 911 CB PRO A 57 57.641 -3.873 5.795 1.00 0.00 C ATOM 912 CG PRO A 57 56.757 -4.840 4.985 1.00 0.00 C ATOM 913 CD PRO A 57 55.563 -4.062 4.418 1.00 0.00 C ATOM 0 HA PRO A 57 56.825 -2.040 6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.659 -3.876 5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.697 -4.194 6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.333 -5.290 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.409 -5.655 5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.505 -4.144 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.616 -4.427 4.816 1.00 0.00 H new ATOM 921 N SER A 58 58.412 -0.454 5.745 1.00 0.00 N ATOM 922 CA SER A 58 59.340 0.570 5.159 1.00 0.00 C ATOM 923 C SER A 58 60.584 -0.082 4.545 1.00 0.00 C ATOM 924 O SER A 58 60.953 0.208 3.422 1.00 0.00 O ATOM 925 CB SER A 58 59.740 1.463 6.334 1.00 0.00 C ATOM 926 OG SER A 58 60.787 2.335 5.927 1.00 0.00 O ATOM 0 H SER A 58 58.135 -0.279 6.711 1.00 0.00 H new ATOM 0 HA SER A 58 58.857 1.125 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.881 2.041 6.675 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.067 0.852 7.175 1.00 0.00 H new ATOM 0 HG SER A 58 61.044 2.910 6.678 1.00 0.00 H new ATOM 932 N ASN A 59 61.237 -0.949 5.274 1.00 0.00 N ATOM 933 CA ASN A 59 62.468 -1.612 4.737 1.00 0.00 C ATOM 934 C ASN A 59 62.142 -2.401 3.464 1.00 0.00 C ATOM 935 O ASN A 59 62.903 -2.419 2.516 1.00 0.00 O ATOM 936 CB ASN A 59 62.939 -2.541 5.870 1.00 0.00 C ATOM 937 CG ASN A 59 61.973 -3.718 6.061 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.771 -3.549 6.007 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.454 -4.911 6.284 1.00 0.00 N ATOM 0 H ASN A 59 60.973 -1.228 6.219 1.00 0.00 H new ATOM 0 HA ASN A 59 63.240 -0.896 4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.936 -2.919 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.016 -1.976 6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.821 -5.700 6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.463 -5.054 6.329 1.00 0.00 H new ATOM 946 N TYR A 60 61.019 -3.058 3.459 1.00 0.00 N ATOM 947 CA TYR A 60 60.620 -3.870 2.265 1.00 0.00 C ATOM 948 C TYR A 60 60.482 -2.989 1.018 1.00 0.00 C ATOM 949 O TYR A 60 60.838 -3.398 -0.071 1.00 0.00 O ATOM 950 CB TYR A 60 59.268 -4.491 2.630 1.00 0.00 C ATOM 951 CG TYR A 60 59.464 -5.922 3.076 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.364 -6.218 4.108 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.747 -6.953 2.458 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.547 -7.543 4.520 1.00 0.00 C ATOM 955 CE2 TYR A 60 58.929 -8.278 2.871 1.00 0.00 C ATOM 956 CZ TYR A 60 59.828 -8.573 3.902 1.00 0.00 C ATOM 957 OH TYR A 60 60.008 -9.880 4.308 1.00 0.00 O ATOM 0 H TYR A 60 60.353 -3.071 4.231 1.00 0.00 H new ATOM 0 HA TYR A 60 61.370 -4.625 2.029 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.796 -3.914 3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.598 -4.457 1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.917 -5.423 4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.053 -6.726 1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 60 61.243 -7.771 5.314 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.375 -9.073 2.394 1.00 0.00 H new ATOM 0 HH TYR A 60 59.433 -10.470 3.777 1.00 0.00 H new ATOM 967 N VAL A 61 59.957 -1.795 1.156 1.00 0.00 N ATOM 968 CA VAL A 61 59.794 -0.913 -0.043 1.00 0.00 C ATOM 969 C VAL A 61 60.790 0.247 -0.024 1.00 0.00 C ATOM 970 O VAL A 61 61.341 0.602 1.001 1.00 0.00 O ATOM 971 CB VAL A 61 58.362 -0.374 0.014 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.375 -1.535 -0.111 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.130 0.355 1.340 1.00 0.00 C ATOM 0 H VAL A 61 59.637 -1.396 2.038 1.00 0.00 H new ATOM 0 HA VAL A 61 59.982 -1.474 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 61 58.210 0.325 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.355 -1.152 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.533 -2.046 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.532 -2.236 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.109 0.735 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.286 -0.337 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.830 1.186 1.425 1.00 0.00 H new ATOM 983 N THR A 62 60.997 0.851 -1.162 1.00 0.00 N ATOM 984 CA THR A 62 61.927 2.013 -1.260 1.00 0.00 C ATOM 985 C THR A 62 61.277 3.080 -2.152 1.00 0.00 C ATOM 986 O THR A 62 60.074 3.228 -2.147 1.00 0.00 O ATOM 987 CB THR A 62 63.216 1.453 -1.880 1.00 0.00 C ATOM 988 OG1 THR A 62 64.167 2.500 -2.011 1.00 0.00 O ATOM 989 CG2 THR A 62 62.926 0.853 -3.260 1.00 0.00 C ATOM 0 H THR A 62 60.554 0.585 -2.042 1.00 0.00 H new ATOM 0 HA THR A 62 62.144 2.482 -0.300 1.00 0.00 H new ATOM 0 HB THR A 62 63.611 0.671 -1.231 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.991 2.146 -2.405 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.849 0.460 -3.687 1.00 0.00 H new ATOM 0 HG22 THR A 62 62.200 0.046 -3.161 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.523 1.625 -3.915 1.00 0.00 H new ATOM 997 N GLU A 63 62.043 3.814 -2.922 1.00 0.00 N ATOM 998 CA GLU A 63 61.431 4.854 -3.807 1.00 0.00 C ATOM 999 C GLU A 63 60.803 4.195 -5.039 1.00 0.00 C ATOM 1000 O GLU A 63 61.417 3.375 -5.691 1.00 0.00 O ATOM 1001 CB GLU A 63 62.586 5.772 -4.211 1.00 0.00 C ATOM 1002 CG GLU A 63 63.078 6.545 -2.986 1.00 0.00 C ATOM 1003 CD GLU A 63 64.116 7.582 -3.419 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.713 8.622 -3.914 1.00 0.00 O ATOM 1005 OE2 GLU A 63 65.294 7.319 -3.248 1.00 0.00 O ATOM 0 H GLU A 63 63.059 3.739 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 63 60.637 5.407 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.401 5.184 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.259 6.466 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.240 7.038 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.515 5.858 -2.261 1.00 0.00 H new ATOM 1012 N ALA A 64 59.578 4.548 -5.358 1.00 0.00 N ATOM 1013 CA ALA A 64 58.889 3.938 -6.545 1.00 0.00 C ATOM 1014 C ALA A 64 59.765 4.035 -7.803 1.00 0.00 C ATOM 1015 O ALA A 64 60.849 4.587 -7.774 1.00 0.00 O ATOM 1016 CB ALA A 64 57.615 4.754 -6.737 1.00 0.00 C ATOM 0 H ALA A 64 59.024 5.234 -4.846 1.00 0.00 H new ATOM 0 HA ALA A 64 58.685 2.880 -6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.058 4.365 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.000 4.685 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.875 5.797 -6.919 1.00 0.00 H new ATOM 1022 N GLU A 65 59.296 3.507 -8.905 1.00 0.00 N ATOM 1023 CA GLU A 65 60.090 3.565 -10.169 1.00 0.00 C ATOM 1024 C GLU A 65 59.196 3.991 -11.335 1.00 0.00 C ATOM 1025 O GLU A 65 58.324 3.256 -11.760 1.00 0.00 O ATOM 1026 CB GLU A 65 60.605 2.141 -10.378 1.00 0.00 C ATOM 1027 CG GLU A 65 61.971 1.987 -9.704 1.00 0.00 C ATOM 1028 CD GLU A 65 62.397 0.518 -9.745 1.00 0.00 C ATOM 1029 OE1 GLU A 65 61.548 -0.332 -9.527 1.00 0.00 O ATOM 1030 OE2 GLU A 65 63.565 0.267 -9.993 1.00 0.00 O ATOM 0 H GLU A 65 58.394 3.037 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 65 60.904 4.288 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 65 59.899 1.423 -9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.687 1.925 -11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 65 62.711 2.606 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.920 2.333 -8.672 1.00 0.00 H new ATOM 1037 N ASP A 66 59.407 5.174 -11.855 1.00 0.00 N ATOM 1038 CA ASP A 66 58.574 5.658 -12.996 1.00 0.00 C ATOM 1039 C ASP A 66 59.402 6.567 -13.907 1.00 0.00 C ATOM 1040 O ASP A 66 59.397 6.419 -15.115 1.00 0.00 O ATOM 1041 CB ASP A 66 57.433 6.443 -12.347 1.00 0.00 C ATOM 1042 CG ASP A 66 56.453 6.905 -13.427 1.00 0.00 C ATOM 1043 OD1 ASP A 66 56.108 6.095 -14.272 1.00 0.00 O ATOM 1044 OD2 ASP A 66 56.064 8.061 -13.391 1.00 0.00 O ATOM 0 H ASP A 66 60.123 5.827 -11.537 1.00 0.00 H new ATOM 0 HA ASP A 66 58.206 4.840 -13.615 1.00 0.00 H new ATOM 0 HB2 ASP A 66 56.918 5.819 -11.616 1.00 0.00 H new ATOM 0 HB3 ASP A 66 57.830 7.304 -11.809 1.00 0.00 H new ATOM 1049 N SER A 67 60.112 7.507 -13.334 1.00 0.00 N ATOM 1050 CA SER A 67 60.945 8.432 -14.159 1.00 0.00 C ATOM 1051 C SER A 67 62.381 7.910 -14.253 1.00 0.00 C ATOM 1052 O SER A 67 62.856 7.738 -15.364 1.00 0.00 O ATOM 1053 CB SER A 67 60.908 9.766 -13.415 1.00 0.00 C ATOM 1054 OG SER A 67 59.939 10.614 -14.019 1.00 0.00 O ATOM 1055 OXT SER A 67 62.981 7.691 -13.213 1.00 0.00 O ATOM 0 H SER A 67 60.150 7.673 -12.328 1.00 0.00 H new ATOM 0 HA SER A 67 60.573 8.523 -15.180 1.00 0.00 H new ATOM 0 HB2 SER A 67 60.662 9.604 -12.366 1.00 0.00 H new ATOM 0 HB3 SER A 67 61.890 10.239 -13.443 1.00 0.00 H new ATOM 0 HG SER A 67 59.911 11.470 -13.543 1.00 0.00 H new TER 1061 SER A 67