USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 654 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 51 GLN : amide:sc= -12.5! C(o=-13!,f=-14!) USER MOD Set 1.2: A 86 MET CE :methyl -146:sc= -0.172 (180deg=0) USER MOD Set 2.1: A 46 MET CE :methyl -161:sc= -5.31! (180deg=-6.79!) USER MOD Set 2.2: A 81 MET CE :methyl 142:sc= -8.44! (180deg=-15.2!) USER MOD Set 2.3: A 85 GLN : amide:sc= -4.89! C(o=-19!,f=-36!) USER MOD Single : A 1 ALA N :NH3+ -124:sc= 0.117 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -156:sc= -0.0152 (180deg=-0.0986) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.193 F(o=-0.73,f=-0.19) USER MOD Single : A 7 GLN : amide:sc= -1.22! C(o=-1.2!,f=-9.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 156:sc= -3.54! (180deg=-5.56!) USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 0.64 (180deg=0.178) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -103:sc= 0.122 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -147:sc= -2.18! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -162:sc= 0.171! USER MOD Single : A 82 MET CE :methyl -107:sc= -9.64! (180deg=-15.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 64.679 -4.120 -16.758 1.00 0.00 N ATOM 2 CA ALA A 1 65.278 -5.291 -16.055 1.00 0.00 C ATOM 3 C ALA A 1 64.215 -6.006 -15.217 1.00 0.00 C ATOM 4 O ALA A 1 63.075 -5.590 -15.158 1.00 0.00 O ATOM 5 CB ALA A 1 66.362 -4.699 -15.155 1.00 0.00 C ATOM 0 H1 ALA A 1 64.845 -4.207 -17.781 1.00 0.00 H new ATOM 0 H2 ALA A 1 63.656 -4.091 -16.574 1.00 0.00 H new ATOM 0 H3 ALA A 1 65.118 -3.244 -16.410 1.00 0.00 H new ATOM 0 HA ALA A 1 65.682 -6.028 -16.749 1.00 0.00 H new ATOM 0 HB1 ALA A 1 66.852 -5.500 -14.601 1.00 0.00 H new ATOM 0 HB2 ALA A 1 67.098 -4.177 -15.767 1.00 0.00 H new ATOM 0 HB3 ALA A 1 65.910 -3.997 -14.454 1.00 0.00 H new ATOM 13 N SER A 2 64.578 -7.079 -14.570 1.00 0.00 N ATOM 14 CA SER A 2 63.587 -7.820 -13.738 1.00 0.00 C ATOM 15 C SER A 2 63.460 -7.167 -12.359 1.00 0.00 C ATOM 16 O SER A 2 62.559 -7.466 -11.600 1.00 0.00 O ATOM 17 CB SER A 2 64.154 -9.233 -13.613 1.00 0.00 C ATOM 18 OG SER A 2 63.102 -10.133 -13.284 1.00 0.00 O ATOM 0 H SER A 2 65.518 -7.475 -14.581 1.00 0.00 H new ATOM 0 HA SER A 2 62.591 -7.818 -14.182 1.00 0.00 H new ATOM 0 HB2 SER A 2 64.625 -9.533 -14.549 1.00 0.00 H new ATOM 0 HB3 SER A 2 64.926 -9.261 -12.844 1.00 0.00 H new ATOM 0 HG SER A 2 63.461 -11.041 -13.204 1.00 0.00 H new ATOM 24 N MET A 3 64.357 -6.279 -12.028 1.00 0.00 N ATOM 25 CA MET A 3 64.287 -5.609 -10.697 1.00 0.00 C ATOM 26 C MET A 3 62.954 -4.872 -10.544 1.00 0.00 C ATOM 27 O MET A 3 62.504 -4.602 -9.448 1.00 0.00 O ATOM 28 CB MET A 3 65.448 -4.616 -10.694 1.00 0.00 C ATOM 29 CG MET A 3 66.630 -5.213 -9.929 1.00 0.00 C ATOM 30 SD MET A 3 67.017 -4.168 -8.501 1.00 0.00 S ATOM 31 CE MET A 3 66.326 -5.256 -7.232 1.00 0.00 C ATOM 0 H MET A 3 65.135 -5.988 -12.620 1.00 0.00 H new ATOM 0 HA MET A 3 64.354 -6.320 -9.873 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.744 -4.383 -11.717 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.138 -3.679 -10.231 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.390 -6.224 -9.599 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.499 -5.289 -10.583 1.00 0.00 H new ATOM 0 HE1 MET A 3 66.064 -4.668 -6.352 1.00 0.00 H new ATOM 0 HE2 MET A 3 65.433 -5.746 -7.620 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.064 -6.010 -6.958 1.00 0.00 H new ATOM 41 N THR A 4 62.319 -4.544 -11.636 1.00 0.00 N ATOM 42 CA THR A 4 61.015 -3.825 -11.555 1.00 0.00 C ATOM 43 C THR A 4 60.010 -4.641 -10.740 1.00 0.00 C ATOM 44 O THR A 4 58.985 -4.141 -10.321 1.00 0.00 O ATOM 45 CB THR A 4 60.546 -3.693 -13.006 1.00 0.00 C ATOM 46 OG1 THR A 4 59.446 -2.797 -13.066 1.00 0.00 O ATOM 47 CG2 THR A 4 60.121 -5.064 -13.532 1.00 0.00 C ATOM 0 H THR A 4 62.647 -4.743 -12.581 1.00 0.00 H new ATOM 0 HA THR A 4 61.108 -2.856 -11.065 1.00 0.00 H new ATOM 0 HB THR A 4 61.361 -3.309 -13.619 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.145 -2.710 -13.995 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.787 -4.970 -14.565 1.00 0.00 H new ATOM 0 HG22 THR A 4 60.967 -5.750 -13.485 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.306 -5.451 -12.921 1.00 0.00 H new ATOM 55 N ASP A 5 60.294 -5.894 -10.509 1.00 0.00 N ATOM 56 CA ASP A 5 59.353 -6.739 -9.720 1.00 0.00 C ATOM 57 C ASP A 5 59.668 -6.632 -8.227 1.00 0.00 C ATOM 58 O ASP A 5 58.791 -6.435 -7.410 1.00 0.00 O ATOM 59 CB ASP A 5 59.590 -8.165 -10.218 1.00 0.00 C ATOM 60 CG ASP A 5 58.245 -8.876 -10.388 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.722 -9.357 -9.396 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.762 -8.927 -11.507 1.00 0.00 O ATOM 0 H ASP A 5 61.137 -6.369 -10.832 1.00 0.00 H new ATOM 0 HA ASP A 5 58.316 -6.430 -9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.126 -8.146 -11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.215 -8.710 -9.510 1.00 0.00 H new ATOM 67 N GLN A 6 60.914 -6.760 -7.863 1.00 0.00 N ATOM 68 CA GLN A 6 61.283 -6.667 -6.422 1.00 0.00 C ATOM 69 C GLN A 6 61.209 -5.212 -5.950 1.00 0.00 C ATOM 70 O GLN A 6 61.363 -4.921 -4.781 1.00 0.00 O ATOM 71 CB GLN A 6 62.720 -7.184 -6.345 1.00 0.00 C ATOM 72 CG GLN A 6 63.111 -7.392 -4.881 1.00 0.00 C ATOM 73 CD GLN A 6 63.598 -8.829 -4.679 1.00 0.00 C ATOM 74 OE1 GLN A 6 64.789 -9.038 -4.189 1.00 0.00 O flip ATOM 75 NE2 GLN A 6 62.887 -9.771 -4.969 1.00 0.00 N flip ATOM 0 H GLN A 6 61.693 -6.925 -8.501 1.00 0.00 H new ATOM 0 HA GLN A 6 60.610 -7.242 -5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.810 -8.122 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.399 -6.473 -6.816 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.895 -6.689 -4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.257 -7.192 -4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 6 61.956 -9.608 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 6 63.221 -10.724 -4.829 1.00 0.00 H new ATOM 84 N GLN A 7 60.975 -4.297 -6.850 1.00 0.00 N ATOM 85 CA GLN A 7 60.893 -2.861 -6.452 1.00 0.00 C ATOM 86 C GLN A 7 59.494 -2.537 -5.917 1.00 0.00 C ATOM 87 O GLN A 7 59.308 -1.595 -5.175 1.00 0.00 O ATOM 88 CB GLN A 7 61.171 -2.077 -7.737 1.00 0.00 C ATOM 89 CG GLN A 7 61.492 -0.621 -7.393 1.00 0.00 C ATOM 90 CD GLN A 7 60.649 0.308 -8.267 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.491 0.543 -7.985 1.00 0.00 O ATOM 92 NE2 GLN A 7 61.184 0.850 -9.328 1.00 0.00 N ATOM 0 H GLN A 7 60.837 -4.480 -7.844 1.00 0.00 H new ATOM 0 HA GLN A 7 61.600 -2.612 -5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 7 62.006 -2.526 -8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 7 60.305 -2.122 -8.397 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.287 -0.432 -6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.552 -0.424 -7.552 1.00 0.00 H new ATOM 0 HE21 GLN A 7 62.156 0.654 -9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 7 60.630 1.470 -9.919 1.00 0.00 H new ATOM 101 N ALA A 8 58.511 -3.311 -6.292 1.00 0.00 N ATOM 102 CA ALA A 8 57.123 -3.046 -5.809 1.00 0.00 C ATOM 103 C ALA A 8 56.864 -3.777 -4.487 1.00 0.00 C ATOM 104 O ALA A 8 56.507 -3.175 -3.493 1.00 0.00 O ATOM 105 CB ALA A 8 56.212 -3.592 -6.910 1.00 0.00 C ATOM 0 H ALA A 8 58.608 -4.115 -6.912 1.00 0.00 H new ATOM 0 HA ALA A 8 56.950 -1.987 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.170 -3.436 -6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.419 -3.072 -7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.397 -4.658 -7.040 1.00 0.00 H new ATOM 111 N GLU A 9 57.034 -5.071 -4.469 1.00 0.00 N ATOM 112 CA GLU A 9 56.790 -5.841 -3.214 1.00 0.00 C ATOM 113 C GLU A 9 57.750 -5.387 -2.112 1.00 0.00 C ATOM 114 O GLU A 9 57.571 -5.701 -0.952 1.00 0.00 O ATOM 115 CB GLU A 9 57.057 -7.300 -3.587 1.00 0.00 C ATOM 116 CG GLU A 9 57.123 -8.151 -2.317 1.00 0.00 C ATOM 117 CD GLU A 9 57.631 -9.550 -2.666 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.969 -10.225 -3.436 1.00 0.00 O ATOM 119 OE2 GLU A 9 58.676 -9.923 -2.157 1.00 0.00 O ATOM 0 H GLU A 9 57.331 -5.629 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 9 55.780 -5.693 -2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.268 -7.668 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.994 -7.379 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 9 57.785 -7.684 -1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 9 56.137 -8.215 -1.858 1.00 0.00 H new ATOM 126 N ALA A 10 58.770 -4.653 -2.462 1.00 0.00 N ATOM 127 CA ALA A 10 59.740 -4.186 -1.430 1.00 0.00 C ATOM 128 C ALA A 10 59.072 -3.176 -0.491 1.00 0.00 C ATOM 129 O ALA A 10 59.517 -2.957 0.617 1.00 0.00 O ATOM 130 CB ALA A 10 60.870 -3.524 -2.217 1.00 0.00 C ATOM 0 H ALA A 10 58.974 -4.356 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 10 60.104 -5.003 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.626 -3.153 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.320 -4.253 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.470 -2.693 -2.798 1.00 0.00 H new ATOM 136 N ARG A 11 58.007 -2.558 -0.925 1.00 0.00 N ATOM 137 CA ARG A 11 57.318 -1.562 -0.049 1.00 0.00 C ATOM 138 C ARG A 11 56.111 -2.209 0.634 1.00 0.00 C ATOM 139 O ARG A 11 55.912 -2.078 1.826 1.00 0.00 O ATOM 140 CB ARG A 11 56.860 -0.440 -0.986 1.00 0.00 C ATOM 141 CG ARG A 11 57.938 -0.165 -2.036 1.00 0.00 C ATOM 142 CD ARG A 11 57.502 -0.759 -3.376 1.00 0.00 C ATOM 143 NE ARG A 11 57.921 0.244 -4.394 1.00 0.00 N ATOM 144 CZ ARG A 11 57.139 0.515 -5.404 1.00 0.00 C ATOM 145 NH1 ARG A 11 56.020 1.157 -5.209 1.00 0.00 N ATOM 146 NH2 ARG A 11 57.477 0.145 -6.609 1.00 0.00 N ATOM 0 H ARG A 11 57.585 -2.697 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 11 57.974 -1.189 0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.927 -0.721 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.659 0.465 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.099 0.908 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.886 -0.602 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.977 -1.724 -3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.425 -0.924 -3.403 1.00 0.00 H new ATOM 0 HE ARG A 11 58.819 0.719 -4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.756 1.447 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 11 55.409 1.369 -5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 11 58.352 -0.356 -6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 11 56.866 0.357 -7.398 1.00 0.00 H new ATOM 160 N ALA A 12 55.300 -2.904 -0.116 1.00 0.00 N ATOM 161 CA ALA A 12 54.102 -3.559 0.483 1.00 0.00 C ATOM 162 C ALA A 12 54.510 -4.434 1.672 1.00 0.00 C ATOM 163 O ALA A 12 53.695 -4.791 2.500 1.00 0.00 O ATOM 164 CB ALA A 12 53.523 -4.417 -0.642 1.00 0.00 C ATOM 0 H ALA A 12 55.415 -3.047 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 12 53.380 -2.835 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.634 -4.936 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.256 -3.780 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.266 -5.148 -0.961 1.00 0.00 H new ATOM 170 N PHE A 13 55.763 -4.785 1.763 1.00 0.00 N ATOM 171 CA PHE A 13 56.217 -5.638 2.898 1.00 0.00 C ATOM 172 C PHE A 13 55.796 -5.014 4.233 1.00 0.00 C ATOM 173 O PHE A 13 55.432 -5.706 5.163 1.00 0.00 O ATOM 174 CB PHE A 13 57.742 -5.675 2.779 1.00 0.00 C ATOM 175 CG PHE A 13 58.335 -6.193 4.067 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.898 -7.412 4.598 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.321 -5.454 4.730 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.447 -7.893 5.794 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.871 -5.933 5.925 1.00 0.00 C ATOM 180 CZ PHE A 13 59.434 -7.153 6.457 1.00 0.00 C ATOM 0 H PHE A 13 56.492 -4.518 1.101 1.00 0.00 H new ATOM 0 HA PHE A 13 55.781 -6.636 2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 13 58.037 -6.315 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.125 -4.677 2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.137 -7.982 4.086 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.658 -4.514 4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.109 -8.833 6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.632 -5.362 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.858 -7.523 7.379 1.00 0.00 H new ATOM 190 N LEU A 14 55.848 -3.715 4.334 1.00 0.00 N ATOM 191 CA LEU A 14 55.455 -3.052 5.611 1.00 0.00 C ATOM 192 C LEU A 14 54.162 -2.252 5.421 1.00 0.00 C ATOM 193 O LEU A 14 53.662 -2.114 4.322 1.00 0.00 O ATOM 194 CB LEU A 14 56.617 -2.117 5.944 1.00 0.00 C ATOM 195 CG LEU A 14 57.934 -2.890 5.852 1.00 0.00 C ATOM 196 CD1 LEU A 14 58.903 -2.140 4.937 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.547 -3.016 7.248 1.00 0.00 C ATOM 0 H LEU A 14 56.145 -3.084 3.590 1.00 0.00 H new ATOM 0 HA LEU A 14 55.267 -3.772 6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.629 -1.274 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.493 -1.707 6.946 1.00 0.00 H new ATOM 0 HG LEU A 14 57.745 -3.883 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 14 59.841 -2.691 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.466 -2.047 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.093 -1.147 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.486 -3.567 7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.736 -2.022 7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 14 57.857 -3.549 7.902 1.00 0.00 H new ATOM 209 N SER A 15 53.621 -1.725 6.484 1.00 0.00 N ATOM 210 CA SER A 15 52.363 -0.933 6.367 1.00 0.00 C ATOM 211 C SER A 15 52.685 0.520 6.007 1.00 0.00 C ATOM 212 O SER A 15 53.808 0.968 6.136 1.00 0.00 O ATOM 213 CB SER A 15 51.716 -1.012 7.749 1.00 0.00 C ATOM 214 OG SER A 15 50.827 -2.120 7.789 1.00 0.00 O ATOM 0 H SER A 15 53.995 -1.808 7.429 1.00 0.00 H new ATOM 0 HA SER A 15 51.705 -1.315 5.587 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.483 -1.118 8.517 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.176 -0.090 7.964 1.00 0.00 H new ATOM 0 HG SER A 15 50.412 -2.174 8.675 1.00 0.00 H new ATOM 220 N GLU A 16 51.708 1.260 5.557 1.00 0.00 N ATOM 221 CA GLU A 16 51.959 2.684 5.190 1.00 0.00 C ATOM 222 C GLU A 16 52.285 3.503 6.443 1.00 0.00 C ATOM 223 O GLU A 16 52.764 4.616 6.362 1.00 0.00 O ATOM 224 CB GLU A 16 50.653 3.164 4.559 1.00 0.00 C ATOM 225 CG GLU A 16 50.799 4.626 4.132 1.00 0.00 C ATOM 226 CD GLU A 16 49.416 5.271 4.039 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.444 4.589 4.323 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.351 6.438 3.688 1.00 0.00 O ATOM 0 H GLU A 16 50.748 0.941 5.428 1.00 0.00 H new ATOM 0 HA GLU A 16 52.804 2.794 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.405 2.545 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 16 49.834 3.062 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.416 5.166 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.305 4.686 3.169 1.00 0.00 H new ATOM 235 N GLU A 17 52.031 2.958 7.601 1.00 0.00 N ATOM 236 CA GLU A 17 52.327 3.707 8.857 1.00 0.00 C ATOM 237 C GLU A 17 53.839 3.790 9.079 1.00 0.00 C ATOM 238 O GLU A 17 54.377 4.843 9.360 1.00 0.00 O ATOM 239 CB GLU A 17 51.666 2.892 9.969 1.00 0.00 C ATOM 240 CG GLU A 17 51.282 3.822 11.123 1.00 0.00 C ATOM 241 CD GLU A 17 50.544 3.023 12.198 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.203 2.303 12.929 1.00 0.00 O ATOM 243 OE2 GLU A 17 49.332 3.145 12.272 1.00 0.00 O ATOM 0 H GLU A 17 51.632 2.028 7.733 1.00 0.00 H new ATOM 0 HA GLU A 17 51.954 4.731 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 50.780 2.385 9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.348 2.119 10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.175 4.282 11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 17 50.649 4.631 10.757 1.00 0.00 H new ATOM 250 N MET A 18 54.528 2.689 8.955 1.00 0.00 N ATOM 251 CA MET A 18 56.004 2.709 9.161 1.00 0.00 C ATOM 252 C MET A 18 56.699 3.334 7.947 1.00 0.00 C ATOM 253 O MET A 18 57.693 4.019 8.075 1.00 0.00 O ATOM 254 CB MET A 18 56.406 1.242 9.310 1.00 0.00 C ATOM 255 CG MET A 18 57.892 1.154 9.661 1.00 0.00 C ATOM 256 SD MET A 18 58.608 -0.322 8.897 1.00 0.00 S ATOM 257 CE MET A 18 58.904 0.391 7.260 1.00 0.00 C ATOM 0 H MET A 18 54.134 1.778 8.720 1.00 0.00 H new ATOM 0 HA MET A 18 56.290 3.300 10.031 1.00 0.00 H new ATOM 0 HB2 MET A 18 55.809 0.767 10.089 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.208 0.704 8.383 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.412 2.046 9.312 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.019 1.114 10.743 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.699 -0.162 6.761 1.00 0.00 H new ATOM 0 HE2 MET A 18 57.992 0.331 6.666 1.00 0.00 H new ATOM 0 HE3 MET A 18 59.200 1.435 7.366 1.00 0.00 H new ATOM 267 N ILE A 19 56.181 3.105 6.772 1.00 0.00 N ATOM 268 CA ILE A 19 56.813 3.689 5.554 1.00 0.00 C ATOM 269 C ILE A 19 57.123 5.172 5.782 1.00 0.00 C ATOM 270 O ILE A 19 58.021 5.728 5.182 1.00 0.00 O ATOM 271 CB ILE A 19 55.772 3.517 4.446 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.767 2.061 3.973 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.119 4.431 3.269 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.592 1.837 3.021 1.00 0.00 C ATOM 0 H ILE A 19 55.349 2.540 6.602 1.00 0.00 H new ATOM 0 HA ILE A 19 57.756 3.204 5.302 1.00 0.00 H new ATOM 0 HB ILE A 19 54.787 3.780 4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.706 1.828 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.688 1.390 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.376 4.307 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.124 5.469 3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.104 4.169 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.589 0.800 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 19 53.658 2.053 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.691 2.498 2.160 1.00 0.00 H new ATOM 286 N ALA A 20 56.386 5.815 6.646 1.00 0.00 N ATOM 287 CA ALA A 20 56.638 7.260 6.914 1.00 0.00 C ATOM 288 C ALA A 20 57.830 7.420 7.862 1.00 0.00 C ATOM 289 O ALA A 20 58.338 8.506 8.060 1.00 0.00 O ATOM 290 CB ALA A 20 55.357 7.769 7.574 1.00 0.00 C ATOM 0 H ALA A 20 55.620 5.402 7.178 1.00 0.00 H new ATOM 0 HA ALA A 20 56.876 7.814 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.462 8.829 7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.516 7.627 6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.177 7.215 8.495 1.00 0.00 H new ATOM 296 N GLU A 21 58.278 6.345 8.451 1.00 0.00 N ATOM 297 CA GLU A 21 59.436 6.431 9.387 1.00 0.00 C ATOM 298 C GLU A 21 60.753 6.317 8.614 1.00 0.00 C ATOM 299 O GLU A 21 61.662 7.103 8.797 1.00 0.00 O ATOM 300 CB GLU A 21 59.264 5.243 10.333 1.00 0.00 C ATOM 301 CG GLU A 21 60.558 5.025 11.120 1.00 0.00 C ATOM 302 CD GLU A 21 60.781 6.199 12.073 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.948 6.396 12.943 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.779 6.882 11.917 1.00 0.00 O ATOM 0 H GLU A 21 57.892 5.409 8.325 1.00 0.00 H new ATOM 0 HA GLU A 21 59.466 7.380 9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.436 5.427 11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.015 4.346 9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.501 4.093 11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.401 4.934 10.435 1.00 0.00 H new ATOM 311 N PHE A 22 60.862 5.344 7.753 1.00 0.00 N ATOM 312 CA PHE A 22 62.121 5.179 6.969 1.00 0.00 C ATOM 313 C PHE A 22 62.401 6.439 6.146 1.00 0.00 C ATOM 314 O PHE A 22 63.536 6.833 5.963 1.00 0.00 O ATOM 315 CB PHE A 22 61.860 3.985 6.049 1.00 0.00 C ATOM 316 CG PHE A 22 62.027 2.692 6.818 1.00 0.00 C ATOM 317 CD1 PHE A 22 61.975 2.692 8.218 1.00 0.00 C ATOM 318 CD2 PHE A 22 62.232 1.492 6.126 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.129 1.493 8.925 1.00 0.00 C ATOM 320 CE2 PHE A 22 62.384 0.294 6.833 1.00 0.00 C ATOM 321 CZ PHE A 22 62.333 0.294 8.232 1.00 0.00 C ATOM 0 H PHE A 22 60.135 4.656 7.557 1.00 0.00 H new ATOM 0 HA PHE A 22 62.988 5.019 7.609 1.00 0.00 H new ATOM 0 HB2 PHE A 22 60.852 4.046 5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.550 4.008 5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 22 61.816 3.617 8.752 1.00 0.00 H new ATOM 0 HD2 PHE A 22 62.273 1.491 5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.090 1.493 10.004 1.00 0.00 H new ATOM 0 HE2 PHE A 22 62.541 -0.631 6.299 1.00 0.00 H new ATOM 0 HZ PHE A 22 62.451 -0.631 8.777 1.00 0.00 H new ATOM 331 N LYS A 23 61.376 7.073 5.648 1.00 0.00 N ATOM 332 CA LYS A 23 61.584 8.307 4.837 1.00 0.00 C ATOM 333 C LYS A 23 62.610 9.218 5.515 1.00 0.00 C ATOM 334 O LYS A 23 63.711 9.396 5.031 1.00 0.00 O ATOM 335 CB LYS A 23 60.214 8.983 4.787 1.00 0.00 C ATOM 336 CG LYS A 23 60.056 9.721 3.456 1.00 0.00 C ATOM 337 CD LYS A 23 60.058 8.710 2.308 1.00 0.00 C ATOM 338 CE LYS A 23 59.418 9.341 1.070 1.00 0.00 C ATOM 339 NZ LYS A 23 60.062 8.659 -0.086 1.00 0.00 N ATOM 0 H LYS A 23 60.403 6.791 5.767 1.00 0.00 H new ATOM 0 HA LYS A 23 61.966 8.088 3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.425 8.239 4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.111 9.682 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.126 10.290 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.868 10.436 3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.079 8.400 2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.509 7.814 2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.338 9.192 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.592 10.417 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.384 8.594 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 60.894 9.203 -0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 60.358 7.703 0.196 1.00 0.00 H new ATOM 353 N ALA A 24 62.260 9.797 6.630 1.00 0.00 N ATOM 354 CA ALA A 24 63.218 10.695 7.337 1.00 0.00 C ATOM 355 C ALA A 24 64.582 10.013 7.465 1.00 0.00 C ATOM 356 O ALA A 24 65.616 10.645 7.365 1.00 0.00 O ATOM 357 CB ALA A 24 62.602 10.927 8.716 1.00 0.00 C ATOM 0 H ALA A 24 61.353 9.688 7.083 1.00 0.00 H new ATOM 0 HA ALA A 24 63.379 11.631 6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 24 63.251 11.581 9.299 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.623 11.393 8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.492 9.972 9.231 1.00 0.00 H new ATOM 363 N ALA A 25 64.594 8.727 7.686 1.00 0.00 N ATOM 364 CA ALA A 25 65.891 8.005 7.820 1.00 0.00 C ATOM 365 C ALA A 25 66.678 8.083 6.509 1.00 0.00 C ATOM 366 O ALA A 25 67.850 8.403 6.496 1.00 0.00 O ATOM 367 CB ALA A 25 65.510 6.558 8.132 1.00 0.00 C ATOM 0 H ALA A 25 63.762 8.145 7.780 1.00 0.00 H new ATOM 0 HA ALA A 25 66.524 8.435 8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.414 5.960 8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.934 6.525 9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.909 6.156 7.316 1.00 0.00 H new ATOM 373 N PHE A 26 66.043 7.793 5.406 1.00 0.00 N ATOM 374 CA PHE A 26 66.758 7.853 4.100 1.00 0.00 C ATOM 375 C PHE A 26 67.097 9.304 3.747 1.00 0.00 C ATOM 376 O PHE A 26 68.184 9.604 3.293 1.00 0.00 O ATOM 377 CB PHE A 26 65.778 7.267 3.081 1.00 0.00 C ATOM 378 CG PHE A 26 66.447 7.198 1.729 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.364 8.286 0.851 1.00 0.00 C ATOM 380 CD2 PHE A 26 67.154 6.049 1.356 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.987 8.223 -0.401 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.777 5.987 0.104 1.00 0.00 C ATOM 383 CZ PHE A 26 67.694 7.073 -0.774 1.00 0.00 C ATOM 0 H PHE A 26 65.062 7.518 5.353 1.00 0.00 H new ATOM 0 HA PHE A 26 67.699 7.304 4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.461 6.272 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.881 7.884 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.820 9.173 1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.219 5.211 2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.922 9.061 -1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 26 68.322 5.100 -0.184 1.00 0.00 H new ATOM 0 HZ PHE A 26 68.175 7.025 -1.740 1.00 0.00 H new ATOM 393 N ASP A 27 66.176 10.205 3.951 1.00 0.00 N ATOM 394 CA ASP A 27 66.448 11.636 3.626 1.00 0.00 C ATOM 395 C ASP A 27 67.596 12.169 4.488 1.00 0.00 C ATOM 396 O ASP A 27 68.123 13.237 4.246 1.00 0.00 O ATOM 397 CB ASP A 27 65.147 12.371 3.956 1.00 0.00 C ATOM 398 CG ASP A 27 64.939 13.513 2.959 1.00 0.00 C ATOM 399 OD1 ASP A 27 65.773 13.665 2.082 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.950 14.215 3.089 1.00 0.00 O ATOM 0 H ASP A 27 65.248 10.014 4.328 1.00 0.00 H new ATOM 0 HA ASP A 27 66.743 11.772 2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.305 11.680 3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.186 12.764 4.972 1.00 0.00 H new ATOM 405 N MET A 28 67.987 11.433 5.493 1.00 0.00 N ATOM 406 CA MET A 28 69.099 11.901 6.371 1.00 0.00 C ATOM 407 C MET A 28 70.360 12.153 5.540 1.00 0.00 C ATOM 408 O MET A 28 71.216 12.929 5.917 1.00 0.00 O ATOM 409 CB MET A 28 69.331 10.757 7.359 1.00 0.00 C ATOM 410 CG MET A 28 68.162 10.688 8.344 1.00 0.00 C ATOM 411 SD MET A 28 68.796 10.345 10.005 1.00 0.00 S ATOM 412 CE MET A 28 68.856 12.058 10.585 1.00 0.00 C ATOM 0 H MET A 28 67.586 10.530 5.744 1.00 0.00 H new ATOM 0 HA MET A 28 68.859 12.836 6.877 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.425 9.813 6.823 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.266 10.912 7.898 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.612 11.629 8.340 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.462 9.909 8.041 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.226 12.082 11.610 1.00 0.00 H new ATOM 0 HE2 MET A 28 69.522 12.636 9.945 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.855 12.489 10.551 1.00 0.00 H new ATOM 422 N PHE A 29 70.486 11.500 4.419 1.00 0.00 N ATOM 423 CA PHE A 29 71.700 11.700 3.571 1.00 0.00 C ATOM 424 C PHE A 29 71.295 12.161 2.168 1.00 0.00 C ATOM 425 O PHE A 29 72.130 12.419 1.325 1.00 0.00 O ATOM 426 CB PHE A 29 72.387 10.329 3.505 1.00 0.00 C ATOM 427 CG PHE A 29 72.209 9.595 4.815 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.134 9.771 5.850 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.114 8.741 4.991 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.964 9.094 7.064 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.943 8.064 6.205 1.00 0.00 C ATOM 432 CZ PHE A 29 71.868 8.241 7.241 1.00 0.00 C ATOM 0 H PHE A 29 69.804 10.837 4.051 1.00 0.00 H new ATOM 0 HA PHE A 29 72.361 12.463 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.965 9.741 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.448 10.455 3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 29 73.979 10.429 5.713 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.401 8.604 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.678 9.230 7.863 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.098 7.406 6.342 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.736 7.719 8.177 1.00 0.00 H new ATOM 442 N ASP A 30 70.019 12.265 1.912 1.00 0.00 N ATOM 443 CA ASP A 30 69.562 12.708 0.562 1.00 0.00 C ATOM 444 C ASP A 30 69.288 14.215 0.563 1.00 0.00 C ATOM 445 O ASP A 30 68.550 14.722 -0.259 1.00 0.00 O ATOM 446 CB ASP A 30 68.273 11.928 0.304 1.00 0.00 C ATOM 447 CG ASP A 30 68.114 11.686 -1.198 1.00 0.00 C ATOM 448 OD1 ASP A 30 69.083 11.879 -1.915 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.027 11.314 -1.607 1.00 0.00 O ATOM 0 H ASP A 30 69.273 12.063 2.578 1.00 0.00 H new ATOM 0 HA ASP A 30 70.311 12.523 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.299 10.977 0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.417 12.484 0.686 1.00 0.00 H new ATOM 454 N ALA A 31 69.875 14.934 1.480 1.00 0.00 N ATOM 455 CA ALA A 31 69.646 16.407 1.533 1.00 0.00 C ATOM 456 C ALA A 31 70.108 17.062 0.228 1.00 0.00 C ATOM 457 O ALA A 31 69.734 18.174 -0.086 1.00 0.00 O ATOM 458 CB ALA A 31 70.492 16.896 2.708 1.00 0.00 C ATOM 0 H ALA A 31 70.503 14.566 2.195 1.00 0.00 H new ATOM 0 HA ALA A 31 68.592 16.657 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 31 70.378 17.975 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 31 70.162 16.404 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 31 71.540 16.658 2.526 1.00 0.00 H new ATOM 464 N ASP A 32 70.919 16.381 -0.535 1.00 0.00 N ATOM 465 CA ASP A 32 71.404 16.966 -1.818 1.00 0.00 C ATOM 466 C ASP A 32 71.220 15.964 -2.961 1.00 0.00 C ATOM 467 O ASP A 32 71.646 16.195 -4.075 1.00 0.00 O ATOM 468 CB ASP A 32 72.888 17.249 -1.587 1.00 0.00 C ATOM 469 CG ASP A 32 73.392 18.231 -2.646 1.00 0.00 C ATOM 470 OD1 ASP A 32 72.582 18.687 -3.436 1.00 0.00 O ATOM 471 OD2 ASP A 32 74.580 18.511 -2.650 1.00 0.00 O ATOM 0 H ASP A 32 71.267 15.445 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 32 70.855 17.866 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 32 73.039 17.664 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 32 73.458 16.321 -1.636 1.00 0.00 H new ATOM 476 N GLY A 33 70.588 14.855 -2.694 1.00 0.00 N ATOM 477 CA GLY A 33 70.377 13.839 -3.765 1.00 0.00 C ATOM 478 C GLY A 33 69.079 14.146 -4.513 1.00 0.00 C ATOM 479 O GLY A 33 69.030 14.119 -5.727 1.00 0.00 O ATOM 0 H GLY A 33 70.208 14.607 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 33 71.218 13.846 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 33 70.331 12.841 -3.330 1.00 0.00 H new ATOM 483 N GLY A 34 68.027 14.436 -3.799 1.00 0.00 N ATOM 484 CA GLY A 34 66.732 14.745 -4.471 1.00 0.00 C ATOM 485 C GLY A 34 65.915 13.461 -4.624 1.00 0.00 C ATOM 486 O GLY A 34 65.078 13.348 -5.497 1.00 0.00 O ATOM 0 H GLY A 34 68.007 14.473 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 34 66.173 15.476 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.915 15.190 -5.449 1.00 0.00 H new ATOM 490 N GLY A 35 66.147 12.492 -3.782 1.00 0.00 N ATOM 491 CA GLY A 35 65.379 11.218 -3.882 1.00 0.00 C ATOM 492 C GLY A 35 66.340 10.029 -3.817 1.00 0.00 C ATOM 493 O GLY A 35 65.927 8.888 -3.771 1.00 0.00 O ATOM 0 H GLY A 35 66.835 12.527 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 35 64.653 11.156 -3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.817 11.193 -4.816 1.00 0.00 H new ATOM 497 N ASP A 36 67.620 10.285 -3.813 1.00 0.00 N ATOM 498 CA ASP A 36 68.603 9.164 -3.751 1.00 0.00 C ATOM 499 C ASP A 36 69.945 9.668 -3.211 1.00 0.00 C ATOM 500 O ASP A 36 70.371 10.765 -3.509 1.00 0.00 O ATOM 501 CB ASP A 36 68.750 8.684 -5.196 1.00 0.00 C ATOM 502 CG ASP A 36 69.061 9.876 -6.102 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.255 10.793 -6.140 1.00 0.00 O ATOM 504 OD2 ASP A 36 70.098 9.853 -6.745 1.00 0.00 O ATOM 0 H ASP A 36 68.028 11.219 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 36 68.275 8.363 -3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.547 7.944 -5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.832 8.195 -5.523 1.00 0.00 H new ATOM 509 N ILE A 37 70.614 8.873 -2.421 1.00 0.00 N ATOM 510 CA ILE A 37 71.928 9.308 -1.865 1.00 0.00 C ATOM 511 C ILE A 37 73.067 8.572 -2.572 1.00 0.00 C ATOM 512 O ILE A 37 72.845 7.640 -3.317 1.00 0.00 O ATOM 513 CB ILE A 37 71.878 8.934 -0.383 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.895 7.410 -0.238 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.596 9.488 0.240 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.784 7.039 1.242 1.00 0.00 C ATOM 0 H ILE A 37 70.308 7.942 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 37 72.105 10.374 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 37 72.744 9.358 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 37 71.069 6.971 -0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.815 7.004 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.560 9.222 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.582 10.573 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.731 9.065 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.796 5.954 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.625 7.466 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.852 7.432 1.647 1.00 0.00 H new ATOM 528 N SER A 38 74.285 8.982 -2.348 1.00 0.00 N ATOM 529 CA SER A 38 75.433 8.302 -3.013 1.00 0.00 C ATOM 530 C SER A 38 75.407 6.801 -2.715 1.00 0.00 C ATOM 531 O SER A 38 75.278 6.385 -1.580 1.00 0.00 O ATOM 532 CB SER A 38 76.680 8.948 -2.411 1.00 0.00 C ATOM 533 OG SER A 38 76.377 9.429 -1.108 1.00 0.00 O ATOM 0 H SER A 38 74.535 9.757 -1.734 1.00 0.00 H new ATOM 0 HA SER A 38 75.403 8.409 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 38 77.492 8.223 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.021 9.768 -3.044 1.00 0.00 H new ATOM 0 HG SER A 38 76.262 10.402 -1.137 1.00 0.00 H new ATOM 539 N THR A 39 75.527 5.985 -3.726 1.00 0.00 N ATOM 540 CA THR A 39 75.508 4.511 -3.506 1.00 0.00 C ATOM 541 C THR A 39 76.375 4.141 -2.298 1.00 0.00 C ATOM 542 O THR A 39 76.147 3.145 -1.641 1.00 0.00 O ATOM 543 CB THR A 39 76.091 3.913 -4.787 1.00 0.00 C ATOM 544 OG1 THR A 39 77.360 4.499 -5.046 1.00 0.00 O ATOM 545 CG2 THR A 39 75.149 4.194 -5.958 1.00 0.00 C ATOM 0 H THR A 39 75.638 6.276 -4.697 1.00 0.00 H new ATOM 0 HA THR A 39 74.505 4.138 -3.300 1.00 0.00 H new ATOM 0 HB THR A 39 76.205 2.836 -4.667 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.736 4.116 -5.866 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.566 3.767 -6.870 1.00 0.00 H new ATOM 0 HG22 THR A 39 74.176 3.745 -5.758 1.00 0.00 H new ATOM 0 HG23 THR A 39 75.033 5.271 -6.081 1.00 0.00 H new ATOM 553 N LYS A 40 77.369 4.934 -2.003 1.00 0.00 N ATOM 554 CA LYS A 40 78.248 4.623 -0.839 1.00 0.00 C ATOM 555 C LYS A 40 77.500 4.879 0.473 1.00 0.00 C ATOM 556 O LYS A 40 77.896 4.414 1.525 1.00 0.00 O ATOM 557 CB LYS A 40 79.435 5.577 -0.973 1.00 0.00 C ATOM 558 CG LYS A 40 80.510 4.933 -1.851 1.00 0.00 C ATOM 559 CD LYS A 40 81.459 6.014 -2.370 1.00 0.00 C ATOM 560 CE LYS A 40 80.822 6.721 -3.568 1.00 0.00 C ATOM 561 NZ LYS A 40 81.223 8.148 -3.430 1.00 0.00 N ATOM 0 H LYS A 40 77.610 5.782 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 40 78.562 3.579 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.109 6.520 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.844 5.807 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.066 4.191 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.046 4.409 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.673 6.735 -1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.410 5.568 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.177 6.300 -4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 40 79.737 6.613 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 80.823 8.699 -4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 80.866 8.523 -2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.260 8.220 -3.449 1.00 0.00 H new ATOM 575 N GLU A 41 76.424 5.614 0.420 1.00 0.00 N ATOM 576 CA GLU A 41 75.654 5.897 1.664 1.00 0.00 C ATOM 577 C GLU A 41 74.454 4.952 1.769 1.00 0.00 C ATOM 578 O GLU A 41 73.873 4.784 2.822 1.00 0.00 O ATOM 579 CB GLU A 41 75.185 7.345 1.518 1.00 0.00 C ATOM 580 CG GLU A 41 74.585 7.823 2.841 1.00 0.00 C ATOM 581 CD GLU A 41 75.707 8.083 3.848 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.849 7.813 3.514 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.405 8.546 4.935 1.00 0.00 O ATOM 0 H GLU A 41 76.045 6.031 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 41 76.253 5.751 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.022 7.983 1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.444 7.420 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.007 8.733 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.898 7.073 3.232 1.00 0.00 H new ATOM 590 N LEU A 42 74.080 4.332 0.683 1.00 0.00 N ATOM 591 CA LEU A 42 72.919 3.398 0.721 1.00 0.00 C ATOM 592 C LEU A 42 73.085 2.395 1.866 1.00 0.00 C ATOM 593 O LEU A 42 72.120 1.908 2.421 1.00 0.00 O ATOM 594 CB LEU A 42 72.945 2.684 -0.632 1.00 0.00 C ATOM 595 CG LEU A 42 72.072 1.429 -0.568 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.260 1.306 -1.858 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.966 0.197 -0.410 1.00 0.00 C ATOM 0 H LEU A 42 74.528 4.432 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 42 71.974 3.915 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.583 3.352 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.968 2.414 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 42 71.394 1.500 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.638 0.412 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.625 2.184 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.937 1.234 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.346 -0.699 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.643 0.127 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.546 0.284 0.508 1.00 0.00 H new ATOM 609 N GLY A 43 74.300 2.083 2.223 1.00 0.00 N ATOM 610 CA GLY A 43 74.524 1.114 3.332 1.00 0.00 C ATOM 611 C GLY A 43 74.323 1.819 4.673 1.00 0.00 C ATOM 612 O GLY A 43 74.078 1.193 5.685 1.00 0.00 O ATOM 0 H GLY A 43 75.147 2.457 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.833 0.276 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.532 0.703 3.272 1.00 0.00 H new ATOM 616 N THR A 44 74.425 3.121 4.689 1.00 0.00 N ATOM 617 CA THR A 44 74.239 3.869 5.966 1.00 0.00 C ATOM 618 C THR A 44 72.756 3.910 6.344 1.00 0.00 C ATOM 619 O THR A 44 72.367 3.498 7.419 1.00 0.00 O ATOM 620 CB THR A 44 74.766 5.279 5.677 1.00 0.00 C ATOM 621 OG1 THR A 44 76.180 5.289 5.807 1.00 0.00 O ATOM 622 CG2 THR A 44 74.155 6.277 6.665 1.00 0.00 C ATOM 0 H THR A 44 74.629 3.699 3.873 1.00 0.00 H new ATOM 0 HA THR A 44 74.762 3.403 6.801 1.00 0.00 H new ATOM 0 HB THR A 44 74.489 5.565 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.519 6.189 5.621 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.534 7.277 6.454 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.070 6.271 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.426 5.994 7.682 1.00 0.00 H new ATOM 630 N VAL A 45 71.923 4.410 5.471 1.00 0.00 N ATOM 631 CA VAL A 45 70.470 4.479 5.789 1.00 0.00 C ATOM 632 C VAL A 45 70.009 3.160 6.411 1.00 0.00 C ATOM 633 O VAL A 45 69.721 3.086 7.589 1.00 0.00 O ATOM 634 CB VAL A 45 69.782 4.713 4.446 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.268 4.568 4.615 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.106 6.123 3.946 1.00 0.00 C ATOM 0 H VAL A 45 72.186 4.772 4.555 1.00 0.00 H new ATOM 0 HA VAL A 45 70.237 5.267 6.505 1.00 0.00 H new ATOM 0 HB VAL A 45 70.139 3.979 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 45 67.777 4.735 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.036 3.564 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.911 5.301 5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.615 6.291 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.750 6.856 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.184 6.227 3.825 1.00 0.00 H new ATOM 646 N MET A 46 69.943 2.116 5.632 1.00 0.00 N ATOM 647 CA MET A 46 69.508 0.802 6.186 1.00 0.00 C ATOM 648 C MET A 46 70.289 0.493 7.467 1.00 0.00 C ATOM 649 O MET A 46 69.831 -0.236 8.325 1.00 0.00 O ATOM 650 CB MET A 46 69.839 -0.216 5.095 1.00 0.00 C ATOM 651 CG MET A 46 71.342 -0.202 4.822 1.00 0.00 C ATOM 652 SD MET A 46 71.712 -1.282 3.416 1.00 0.00 S ATOM 653 CE MET A 46 70.578 -2.623 3.853 1.00 0.00 C ATOM 0 H MET A 46 70.171 2.115 4.638 1.00 0.00 H new ATOM 0 HA MET A 46 68.449 0.788 6.445 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.525 -1.212 5.405 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.291 0.022 4.183 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.674 0.814 4.611 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.886 -0.538 5.705 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.870 -3.532 3.328 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.617 -2.797 4.928 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.563 -2.349 3.566 1.00 0.00 H new ATOM 663 N ARG A 47 71.463 1.048 7.604 1.00 0.00 N ATOM 664 CA ARG A 47 72.272 0.792 8.831 1.00 0.00 C ATOM 665 C ARG A 47 71.794 1.696 9.969 1.00 0.00 C ATOM 666 O ARG A 47 71.583 1.253 11.081 1.00 0.00 O ATOM 667 CB ARG A 47 73.708 1.143 8.439 1.00 0.00 C ATOM 668 CG ARG A 47 74.439 -0.120 7.979 1.00 0.00 C ATOM 669 CD ARG A 47 75.921 0.194 7.768 1.00 0.00 C ATOM 670 NE ARG A 47 76.642 -1.025 8.230 1.00 0.00 N ATOM 671 CZ ARG A 47 77.879 -1.229 7.866 1.00 0.00 C ATOM 672 NH1 ARG A 47 78.808 -0.376 8.202 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.187 -2.286 7.165 1.00 0.00 N ATOM 0 H ARG A 47 71.897 1.667 6.920 1.00 0.00 H new ATOM 0 HA ARG A 47 72.185 -0.237 9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.706 1.885 7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.229 1.588 9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.326 -0.909 8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.000 -0.490 7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.134 0.406 6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.224 1.072 8.339 1.00 0.00 H new ATOM 0 HE ARG A 47 76.169 -1.700 8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.568 0.451 8.749 1.00 0.00 H new ATOM 0 HH12 ARG A 47 79.774 -0.536 7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.461 -2.953 6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.153 -2.445 6.881 1.00 0.00 H new ATOM 687 N MET A 48 71.621 2.960 9.698 1.00 0.00 N ATOM 688 CA MET A 48 71.157 3.896 10.761 1.00 0.00 C ATOM 689 C MET A 48 69.675 3.660 11.062 1.00 0.00 C ATOM 690 O MET A 48 69.098 4.291 11.926 1.00 0.00 O ATOM 691 CB MET A 48 71.373 5.293 10.179 1.00 0.00 C ATOM 692 CG MET A 48 72.071 6.175 11.217 1.00 0.00 C ATOM 693 SD MET A 48 71.024 7.602 11.598 1.00 0.00 S ATOM 694 CE MET A 48 71.721 7.966 13.228 1.00 0.00 C ATOM 0 H MET A 48 71.781 3.386 8.785 1.00 0.00 H new ATOM 0 HA MET A 48 71.696 3.758 11.698 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.976 5.232 9.273 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.417 5.733 9.896 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.268 5.602 12.123 1.00 0.00 H new ATOM 0 HG3 MET A 48 73.036 6.510 10.836 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.212 8.829 13.657 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.587 7.104 13.882 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.784 8.184 13.129 1.00 0.00 H new ATOM 704 N LEU A 49 69.053 2.754 10.356 1.00 0.00 N ATOM 705 CA LEU A 49 67.608 2.479 10.602 1.00 0.00 C ATOM 706 C LEU A 49 67.452 1.412 11.689 1.00 0.00 C ATOM 707 O LEU A 49 66.524 1.443 12.474 1.00 0.00 O ATOM 708 CB LEU A 49 67.068 1.970 9.264 1.00 0.00 C ATOM 709 CG LEU A 49 66.279 3.084 8.577 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.694 3.176 7.108 1.00 0.00 C ATOM 711 CD2 LEU A 49 64.781 2.775 8.663 1.00 0.00 C ATOM 0 H LEU A 49 69.483 2.193 9.620 1.00 0.00 H new ATOM 0 HA LEU A 49 67.071 3.363 10.946 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.891 1.646 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.428 1.102 9.424 1.00 0.00 H new ATOM 0 HG LEU A 49 66.486 4.032 9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.130 3.971 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.760 3.395 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 49 66.488 2.228 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.217 3.569 8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.576 1.826 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 49 64.482 2.710 9.709 1.00 0.00 H new ATOM 723 N GLY A 50 68.354 0.469 11.748 1.00 0.00 N ATOM 724 CA GLY A 50 68.253 -0.592 12.791 1.00 0.00 C ATOM 725 C GLY A 50 68.519 -1.966 12.170 1.00 0.00 C ATOM 726 O GLY A 50 67.944 -2.958 12.571 1.00 0.00 O ATOM 0 H GLY A 50 69.154 0.388 11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.971 -0.399 13.588 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.262 -0.575 13.244 1.00 0.00 H new ATOM 730 N GLN A 51 69.390 -2.037 11.200 1.00 0.00 N ATOM 731 CA GLN A 51 69.689 -3.356 10.565 1.00 0.00 C ATOM 732 C GLN A 51 71.200 -3.593 10.530 1.00 0.00 C ATOM 733 O GLN A 51 71.949 -2.998 11.279 1.00 0.00 O ATOM 734 CB GLN A 51 69.130 -3.259 9.144 1.00 0.00 C ATOM 735 CG GLN A 51 67.757 -2.581 9.175 1.00 0.00 C ATOM 736 CD GLN A 51 66.885 -3.239 10.245 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.220 -2.562 11.003 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.854 -4.541 10.338 1.00 0.00 N ATOM 0 H GLN A 51 69.906 -1.244 10.820 1.00 0.00 H new ATOM 0 HA GLN A 51 69.247 -4.185 11.117 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.813 -2.691 8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.045 -4.254 8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.870 -1.518 9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.277 -2.663 8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 51 67.412 -5.111 9.702 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.272 -4.988 11.046 1.00 0.00 H new ATOM 747 N ASN A 52 71.656 -4.459 9.665 1.00 0.00 N ATOM 748 CA ASN A 52 73.120 -4.732 9.586 1.00 0.00 C ATOM 749 C ASN A 52 73.475 -5.343 8.227 1.00 0.00 C ATOM 750 O ASN A 52 73.578 -6.547 8.095 1.00 0.00 O ATOM 751 CB ASN A 52 73.396 -5.729 10.712 1.00 0.00 C ATOM 752 CG ASN A 52 74.714 -5.371 11.401 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.718 -4.864 12.505 1.00 0.00 O ATOM 754 ND2 ASN A 52 75.842 -5.616 10.793 1.00 0.00 N ATOM 0 H ASN A 52 71.079 -4.988 9.011 1.00 0.00 H new ATOM 0 HA ASN A 52 73.715 -3.825 9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.580 -5.713 11.434 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.447 -6.741 10.311 1.00 0.00 H new ATOM 0 HD21 ASN A 52 76.726 -5.382 11.245 1.00 0.00 H new ATOM 0 HD22 ASN A 52 75.840 -6.042 9.866 1.00 0.00 H new ATOM 761 N PRO A 53 73.657 -4.486 7.259 1.00 0.00 N ATOM 762 CA PRO A 53 74.009 -4.940 5.892 1.00 0.00 C ATOM 763 C PRO A 53 75.473 -5.386 5.842 1.00 0.00 C ATOM 764 O PRO A 53 76.379 -4.579 5.905 1.00 0.00 O ATOM 765 CB PRO A 53 73.795 -3.696 5.036 1.00 0.00 C ATOM 766 CG PRO A 53 73.952 -2.544 5.977 1.00 0.00 C ATOM 767 CD PRO A 53 73.550 -3.026 7.347 1.00 0.00 C ATOM 0 HA PRO A 53 73.416 -5.791 5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.522 -3.645 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.806 -3.698 4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.983 -2.189 5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.328 -1.706 5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 53 74.206 -2.624 8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.536 -2.715 7.597 1.00 0.00 H new ATOM 775 N THR A 54 75.712 -6.662 5.727 1.00 0.00 N ATOM 776 CA THR A 54 77.119 -7.153 5.673 1.00 0.00 C ATOM 777 C THR A 54 77.824 -6.602 4.431 1.00 0.00 C ATOM 778 O THR A 54 77.233 -6.471 3.377 1.00 0.00 O ATOM 779 CB THR A 54 77.004 -8.676 5.595 1.00 0.00 C ATOM 780 OG1 THR A 54 75.765 -9.024 4.992 1.00 0.00 O ATOM 781 CG2 THR A 54 77.074 -9.268 7.004 1.00 0.00 C ATOM 0 H THR A 54 74.996 -7.386 5.668 1.00 0.00 H new ATOM 0 HA THR A 54 77.702 -6.833 6.536 1.00 0.00 H new ATOM 0 HB THR A 54 77.824 -9.074 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.437 -9.863 5.379 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.992 -10.353 6.947 1.00 0.00 H new ATOM 0 HG22 THR A 54 78.025 -9.000 7.465 1.00 0.00 H new ATOM 0 HG23 THR A 54 76.255 -8.873 7.606 1.00 0.00 H new ATOM 789 N LYS A 55 79.082 -6.275 4.546 1.00 0.00 N ATOM 790 CA LYS A 55 79.821 -5.732 3.370 1.00 0.00 C ATOM 791 C LYS A 55 79.525 -6.571 2.125 1.00 0.00 C ATOM 792 O LYS A 55 79.118 -6.060 1.101 1.00 0.00 O ATOM 793 CB LYS A 55 81.299 -5.833 3.746 1.00 0.00 C ATOM 794 CG LYS A 55 82.151 -5.215 2.636 1.00 0.00 C ATOM 795 CD LYS A 55 83.116 -6.268 2.087 1.00 0.00 C ATOM 796 CE LYS A 55 83.548 -5.876 0.672 1.00 0.00 C ATOM 797 NZ LYS A 55 84.994 -6.227 0.600 1.00 0.00 N ATOM 0 H LYS A 55 79.630 -6.360 5.402 1.00 0.00 H new ATOM 0 HA LYS A 55 79.530 -4.707 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.481 -5.317 4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.577 -6.876 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.511 -4.841 1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 55 82.708 -4.362 3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.988 -6.350 2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 82.635 -7.246 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.973 -6.416 -0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.390 -4.813 0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.363 -5.987 -0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.517 -5.693 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.113 -7.246 0.769 1.00 0.00 H new ATOM 811 N GLU A 56 79.727 -7.859 2.205 1.00 0.00 N ATOM 812 CA GLU A 56 79.456 -8.730 1.025 1.00 0.00 C ATOM 813 C GLU A 56 78.050 -8.462 0.484 1.00 0.00 C ATOM 814 O GLU A 56 77.856 -8.271 -0.700 1.00 0.00 O ATOM 815 CB GLU A 56 79.565 -10.159 1.557 1.00 0.00 C ATOM 816 CG GLU A 56 78.951 -11.129 0.545 1.00 0.00 C ATOM 817 CD GLU A 56 79.501 -12.536 0.792 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.618 -12.796 0.375 1.00 0.00 O ATOM 819 OE2 GLU A 56 78.796 -13.329 1.393 1.00 0.00 O ATOM 0 H GLU A 56 80.067 -8.345 3.035 1.00 0.00 H new ATOM 0 HA GLU A 56 80.151 -8.547 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.610 -10.414 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.051 -10.242 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 56 77.865 -11.130 0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 56 79.184 -10.808 -0.470 1.00 0.00 H new ATOM 826 N GLU A 57 77.069 -8.445 1.344 1.00 0.00 N ATOM 827 CA GLU A 57 75.676 -8.189 0.880 1.00 0.00 C ATOM 828 C GLU A 57 75.534 -6.737 0.415 1.00 0.00 C ATOM 829 O GLU A 57 75.111 -6.467 -0.691 1.00 0.00 O ATOM 830 CB GLU A 57 74.796 -8.447 2.103 1.00 0.00 C ATOM 831 CG GLU A 57 74.875 -9.925 2.486 1.00 0.00 C ATOM 832 CD GLU A 57 73.879 -10.725 1.644 1.00 0.00 C ATOM 833 OE1 GLU A 57 74.026 -10.730 0.433 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.985 -11.319 2.226 1.00 0.00 O ATOM 0 H GLU A 57 77.172 -8.597 2.347 1.00 0.00 H new ATOM 0 HA GLU A 57 75.398 -8.823 0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.123 -7.826 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.764 -8.171 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.886 -10.299 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.653 -10.049 3.546 1.00 0.00 H new ATOM 841 N LEU A 58 75.888 -5.800 1.253 1.00 0.00 N ATOM 842 CA LEU A 58 75.778 -4.368 0.859 1.00 0.00 C ATOM 843 C LEU A 58 76.485 -4.141 -0.481 1.00 0.00 C ATOM 844 O LEU A 58 76.013 -3.408 -1.328 1.00 0.00 O ATOM 845 CB LEU A 58 76.472 -3.599 1.985 1.00 0.00 C ATOM 846 CG LEU A 58 76.880 -2.211 1.492 1.00 0.00 C ATOM 847 CD1 LEU A 58 75.642 -1.457 1.005 1.00 0.00 C ATOM 848 CD2 LEU A 58 77.533 -1.433 2.638 1.00 0.00 C ATOM 0 H LEU A 58 76.248 -5.965 2.193 1.00 0.00 H new ATOM 0 HA LEU A 58 74.746 -4.044 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 58 75.804 -3.508 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.351 -4.147 2.324 1.00 0.00 H new ATOM 0 HG LEU A 58 77.590 -2.313 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.934 -0.467 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 58 75.177 -2.010 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 58 74.931 -1.356 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 58 77.824 -0.443 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 58 76.824 -1.332 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 58 78.416 -1.969 2.985 1.00 0.00 H new ATOM 860 N ASP A 59 77.612 -4.767 -0.680 1.00 0.00 N ATOM 861 CA ASP A 59 78.346 -4.593 -1.966 1.00 0.00 C ATOM 862 C ASP A 59 77.500 -5.125 -3.125 1.00 0.00 C ATOM 863 O ASP A 59 77.426 -4.526 -4.180 1.00 0.00 O ATOM 864 CB ASP A 59 79.624 -5.418 -1.808 1.00 0.00 C ATOM 865 CG ASP A 59 80.502 -5.240 -3.048 1.00 0.00 C ATOM 866 OD1 ASP A 59 79.988 -5.396 -4.143 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.677 -4.951 -2.881 1.00 0.00 O ATOM 0 H ASP A 59 78.057 -5.392 -0.008 1.00 0.00 H new ATOM 0 HA ASP A 59 78.564 -3.547 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.166 -5.102 -0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 59 79.376 -6.471 -1.673 1.00 0.00 H new ATOM 872 N ALA A 60 76.857 -6.246 -2.935 1.00 0.00 N ATOM 873 CA ALA A 60 76.012 -6.813 -4.022 1.00 0.00 C ATOM 874 C ALA A 60 74.855 -5.860 -4.336 1.00 0.00 C ATOM 875 O ALA A 60 74.297 -5.879 -5.415 1.00 0.00 O ATOM 876 CB ALA A 60 75.485 -8.137 -3.468 1.00 0.00 C ATOM 0 H ALA A 60 76.881 -6.792 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 60 76.568 -6.956 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 60 74.851 -8.617 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 60 76.324 -8.791 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 60 74.904 -7.948 -2.565 1.00 0.00 H new ATOM 882 N ILE A 61 74.495 -5.025 -3.399 1.00 0.00 N ATOM 883 CA ILE A 61 73.377 -4.069 -3.643 1.00 0.00 C ATOM 884 C ILE A 61 73.863 -2.904 -4.508 1.00 0.00 C ATOM 885 O ILE A 61 73.367 -2.674 -5.592 1.00 0.00 O ATOM 886 CB ILE A 61 72.966 -3.571 -2.259 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.584 -4.764 -1.380 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.765 -2.632 -2.392 1.00 0.00 C ATOM 889 CD1 ILE A 61 71.309 -5.414 -1.923 1.00 0.00 C ATOM 0 H ILE A 61 74.926 -4.963 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 61 72.544 -4.535 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 61 73.799 -3.036 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 61 73.396 -5.491 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.428 -4.436 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.471 -2.276 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.035 -1.782 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 61 70.932 -3.168 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.038 -6.263 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 61 70.498 -4.685 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.481 -5.757 -2.943 1.00 0.00 H new ATOM 901 N ILE A 62 74.832 -2.166 -4.039 1.00 0.00 N ATOM 902 CA ILE A 62 75.344 -1.020 -4.842 1.00 0.00 C ATOM 903 C ILE A 62 75.615 -1.478 -6.276 1.00 0.00 C ATOM 904 O ILE A 62 74.980 -1.032 -7.210 1.00 0.00 O ATOM 905 CB ILE A 62 76.643 -0.598 -4.160 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.317 0.103 -2.838 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.408 0.365 -5.072 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.419 -0.191 -1.818 1.00 0.00 C ATOM 0 H ILE A 62 75.290 -2.306 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 62 74.632 -0.196 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 62 77.256 -1.478 -3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.231 1.178 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.355 -0.242 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.336 0.667 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.637 -0.132 -6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.796 1.246 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.187 0.308 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.484 -1.266 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.373 0.176 -2.197 1.00 0.00 H new ATOM 920 N GLU A 63 76.547 -2.374 -6.458 1.00 0.00 N ATOM 921 CA GLU A 63 76.844 -2.863 -7.832 1.00 0.00 C ATOM 922 C GLU A 63 75.540 -3.267 -8.523 1.00 0.00 C ATOM 923 O GLU A 63 75.380 -3.105 -9.717 1.00 0.00 O ATOM 924 CB GLU A 63 77.752 -4.077 -7.635 1.00 0.00 C ATOM 925 CG GLU A 63 78.669 -4.231 -8.849 1.00 0.00 C ATOM 926 CD GLU A 63 78.228 -5.442 -9.674 1.00 0.00 C ATOM 927 OE1 GLU A 63 77.205 -5.346 -10.330 1.00 0.00 O ATOM 928 OE2 GLU A 63 78.923 -6.444 -9.636 1.00 0.00 O ATOM 0 H GLU A 63 77.113 -2.787 -5.717 1.00 0.00 H new ATOM 0 HA GLU A 63 77.319 -2.106 -8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.347 -3.956 -6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.151 -4.977 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.634 -3.329 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.702 -4.356 -8.524 1.00 0.00 H new ATOM 935 N GLU A 64 74.604 -3.784 -7.775 1.00 0.00 N ATOM 936 CA GLU A 64 73.303 -4.189 -8.379 1.00 0.00 C ATOM 937 C GLU A 64 72.499 -2.938 -8.748 1.00 0.00 C ATOM 938 O GLU A 64 72.146 -2.728 -9.891 1.00 0.00 O ATOM 939 CB GLU A 64 72.598 -4.996 -7.280 1.00 0.00 C ATOM 940 CG GLU A 64 71.080 -4.953 -7.488 1.00 0.00 C ATOM 941 CD GLU A 64 70.455 -6.245 -6.960 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.268 -6.342 -5.758 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.175 -7.117 -7.766 1.00 0.00 O ATOM 0 H GLU A 64 74.684 -3.944 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 64 73.418 -4.773 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.946 -6.029 -7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.851 -4.590 -6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.656 -4.093 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.851 -4.832 -8.547 1.00 0.00 H new ATOM 950 N VAL A 65 72.215 -2.104 -7.786 1.00 0.00 N ATOM 951 CA VAL A 65 71.440 -0.865 -8.076 1.00 0.00 C ATOM 952 C VAL A 65 72.313 0.130 -8.846 1.00 0.00 C ATOM 953 O VAL A 65 71.848 1.152 -9.307 1.00 0.00 O ATOM 954 CB VAL A 65 71.064 -0.304 -6.705 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.343 -1.382 -5.893 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.333 0.128 -5.966 1.00 0.00 C ATOM 0 H VAL A 65 72.486 -2.227 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 65 70.560 -1.058 -8.690 1.00 0.00 H new ATOM 0 HB VAL A 65 70.406 0.556 -6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.075 -0.982 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.440 -1.691 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.000 -2.242 -5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.066 0.528 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.991 -0.732 -5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.847 0.896 -6.544 1.00 0.00 H new ATOM 966 N ASP A 66 73.577 -0.165 -8.987 1.00 0.00 N ATOM 967 CA ASP A 66 74.481 0.760 -9.727 1.00 0.00 C ATOM 968 C ASP A 66 74.404 0.481 -11.231 1.00 0.00 C ATOM 969 O ASP A 66 75.153 1.029 -12.015 1.00 0.00 O ATOM 970 CB ASP A 66 75.883 0.455 -9.196 1.00 0.00 C ATOM 971 CG ASP A 66 76.910 1.303 -9.948 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.901 2.509 -9.767 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.689 0.732 -10.694 1.00 0.00 O ATOM 0 H ASP A 66 74.022 -1.007 -8.622 1.00 0.00 H new ATOM 0 HA ASP A 66 74.210 1.806 -9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.933 0.667 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.108 -0.604 -9.322 1.00 0.00 H new ATOM 978 N GLU A 67 73.503 -0.372 -11.639 1.00 0.00 N ATOM 979 CA GLU A 67 73.377 -0.690 -13.092 1.00 0.00 C ATOM 980 C GLU A 67 73.481 0.588 -13.928 1.00 0.00 C ATOM 981 O GLU A 67 74.111 0.611 -14.966 1.00 0.00 O ATOM 982 CB GLU A 67 71.990 -1.316 -13.241 1.00 0.00 C ATOM 983 CG GLU A 67 71.632 -1.418 -14.725 1.00 0.00 C ATOM 984 CD GLU A 67 70.204 -1.948 -14.871 1.00 0.00 C ATOM 985 OE1 GLU A 67 69.388 -1.637 -14.020 1.00 0.00 O ATOM 986 OE2 GLU A 67 69.953 -2.657 -15.832 1.00 0.00 O ATOM 0 H GLU A 67 72.849 -0.863 -11.030 1.00 0.00 H new ATOM 0 HA GLU A 67 74.166 -1.358 -13.437 1.00 0.00 H new ATOM 0 HB2 GLU A 67 71.975 -2.305 -12.784 1.00 0.00 H new ATOM 0 HB3 GLU A 67 71.249 -0.712 -12.718 1.00 0.00 H new ATOM 0 HG2 GLU A 67 71.718 -0.440 -15.199 1.00 0.00 H new ATOM 0 HG3 GLU A 67 72.331 -2.082 -15.234 1.00 0.00 H new ATOM 993 N ASP A 68 72.867 1.651 -13.485 1.00 0.00 N ATOM 994 CA ASP A 68 72.935 2.923 -14.260 1.00 0.00 C ATOM 995 C ASP A 68 74.375 3.440 -14.297 1.00 0.00 C ATOM 996 O ASP A 68 74.831 3.969 -15.291 1.00 0.00 O ATOM 997 CB ASP A 68 72.033 3.899 -13.504 1.00 0.00 C ATOM 998 CG ASP A 68 70.608 3.346 -13.453 1.00 0.00 C ATOM 999 OD1 ASP A 68 70.135 2.884 -14.477 1.00 0.00 O ATOM 1000 OD2 ASP A 68 70.013 3.395 -12.388 1.00 0.00 O ATOM 0 H ASP A 68 72.323 1.694 -12.623 1.00 0.00 H new ATOM 0 HA ASP A 68 72.616 2.794 -15.294 1.00 0.00 H new ATOM 0 HB2 ASP A 68 72.411 4.051 -12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.039 4.871 -13.996 1.00 0.00 H new ATOM 1005 N GLY A 69 75.093 3.292 -13.218 1.00 0.00 N ATOM 1006 CA GLY A 69 76.503 3.775 -13.187 1.00 0.00 C ATOM 1007 C GLY A 69 76.527 5.243 -12.763 1.00 0.00 C ATOM 1008 O GLY A 69 77.354 5.659 -11.975 1.00 0.00 O ATOM 0 H GLY A 69 74.764 2.857 -12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 69 77.090 3.175 -12.492 1.00 0.00 H new ATOM 0 HA3 GLY A 69 76.960 3.661 -14.170 1.00 0.00 H new ATOM 1012 N SER A 70 75.626 6.033 -13.278 1.00 0.00 N ATOM 1013 CA SER A 70 75.594 7.475 -12.904 1.00 0.00 C ATOM 1014 C SER A 70 74.545 7.711 -11.815 1.00 0.00 C ATOM 1015 O SER A 70 74.750 8.481 -10.897 1.00 0.00 O ATOM 1016 CB SER A 70 75.210 8.208 -14.188 1.00 0.00 C ATOM 1017 OG SER A 70 75.773 9.512 -14.170 1.00 0.00 O ATOM 0 H SER A 70 74.909 5.742 -13.943 1.00 0.00 H new ATOM 0 HA SER A 70 76.548 7.823 -12.508 1.00 0.00 H new ATOM 0 HB2 SER A 70 75.569 7.656 -15.057 1.00 0.00 H new ATOM 0 HB3 SER A 70 74.125 8.269 -14.275 1.00 0.00 H new ATOM 0 HG SER A 70 75.530 9.985 -14.993 1.00 0.00 H new ATOM 1023 N GLY A 71 73.424 7.050 -11.906 1.00 0.00 N ATOM 1024 CA GLY A 71 72.363 7.232 -10.876 1.00 0.00 C ATOM 1025 C GLY A 71 72.608 6.265 -9.718 1.00 0.00 C ATOM 1026 O GLY A 71 72.932 5.111 -9.920 1.00 0.00 O ATOM 0 H GLY A 71 73.197 6.391 -12.650 1.00 0.00 H new ATOM 0 HA2 GLY A 71 72.366 8.260 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.381 7.051 -11.314 1.00 0.00 H new ATOM 1030 N THR A 72 72.459 6.725 -8.507 1.00 0.00 N ATOM 1031 CA THR A 72 72.688 5.829 -7.337 1.00 0.00 C ATOM 1032 C THR A 72 71.446 4.966 -7.077 1.00 0.00 C ATOM 1033 O THR A 72 70.947 4.306 -7.968 1.00 0.00 O ATOM 1034 CB THR A 72 72.952 6.777 -6.167 1.00 0.00 C ATOM 1035 OG1 THR A 72 73.054 6.023 -4.967 1.00 0.00 O ATOM 1036 CG2 THR A 72 71.801 7.778 -6.051 1.00 0.00 C ATOM 0 H THR A 72 72.189 7.681 -8.276 1.00 0.00 H new ATOM 0 HA THR A 72 73.517 5.139 -7.494 1.00 0.00 H new ATOM 0 HB THR A 72 73.883 7.318 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.930 6.616 -4.197 1.00 0.00 H new ATOM 0 HG21 THR A 72 71.989 8.454 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 72 71.725 8.353 -6.974 1.00 0.00 H new ATOM 0 HG23 THR A 72 70.868 7.241 -5.880 1.00 0.00 H new ATOM 1044 N ILE A 73 70.943 4.955 -5.869 1.00 0.00 N ATOM 1045 CA ILE A 73 69.740 4.124 -5.575 1.00 0.00 C ATOM 1046 C ILE A 73 68.521 5.017 -5.331 1.00 0.00 C ATOM 1047 O ILE A 73 68.593 6.006 -4.630 1.00 0.00 O ATOM 1048 CB ILE A 73 70.099 3.349 -4.307 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.911 2.480 -3.889 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.430 4.331 -3.182 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.223 1.011 -4.186 1.00 0.00 C ATOM 0 H ILE A 73 71.312 5.483 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 73 69.484 3.462 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 73 70.965 2.716 -4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.707 2.612 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.014 2.788 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.686 3.777 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.275 4.952 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.565 4.965 -2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.377 0.392 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.406 0.886 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.109 0.707 -3.628 1.00 0.00 H new ATOM 1063 N ASP A 74 67.399 4.671 -5.903 1.00 0.00 N ATOM 1064 CA ASP A 74 66.174 5.496 -5.702 1.00 0.00 C ATOM 1065 C ASP A 74 65.393 4.987 -4.488 1.00 0.00 C ATOM 1066 O ASP A 74 65.409 3.813 -4.178 1.00 0.00 O ATOM 1067 CB ASP A 74 65.358 5.307 -6.982 1.00 0.00 C ATOM 1068 CG ASP A 74 66.095 5.951 -8.158 1.00 0.00 C ATOM 1069 OD1 ASP A 74 67.314 5.901 -8.166 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.428 6.483 -9.030 1.00 0.00 O ATOM 0 H ASP A 74 67.278 3.853 -6.500 1.00 0.00 H new ATOM 0 HA ASP A 74 66.405 6.545 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.203 4.245 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.372 5.757 -6.867 1.00 0.00 H new ATOM 1075 N PHE A 75 64.712 5.859 -3.796 1.00 0.00 N ATOM 1076 CA PHE A 75 63.937 5.417 -2.602 1.00 0.00 C ATOM 1077 C PHE A 75 62.998 4.264 -2.972 1.00 0.00 C ATOM 1078 O PHE A 75 63.022 3.214 -2.363 1.00 0.00 O ATOM 1079 CB PHE A 75 63.135 6.644 -2.167 1.00 0.00 C ATOM 1080 CG PHE A 75 62.598 6.423 -0.775 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.454 5.638 -0.583 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.243 6.999 0.325 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.957 5.428 0.709 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.746 6.790 1.618 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.604 6.005 1.809 1.00 0.00 C ATOM 0 H PHE A 75 64.659 6.856 -4.005 1.00 0.00 H new ATOM 0 HA PHE A 75 64.586 5.053 -1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.767 7.532 -2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.314 6.821 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.955 5.194 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.125 7.605 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.076 4.822 0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.244 7.235 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.221 5.844 2.806 1.00 0.00 H new ATOM 1095 N GLU A 76 62.167 4.451 -3.962 1.00 0.00 N ATOM 1096 CA GLU A 76 61.228 3.362 -4.358 1.00 0.00 C ATOM 1097 C GLU A 76 62.000 2.062 -4.612 1.00 0.00 C ATOM 1098 O GLU A 76 61.649 1.015 -4.105 1.00 0.00 O ATOM 1099 CB GLU A 76 60.557 3.855 -5.644 1.00 0.00 C ATOM 1100 CG GLU A 76 61.621 4.289 -6.655 1.00 0.00 C ATOM 1101 CD GLU A 76 61.075 5.434 -7.510 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.085 5.219 -8.190 1.00 0.00 O ATOM 1103 OE2 GLU A 76 61.654 6.506 -7.468 1.00 0.00 O ATOM 0 H GLU A 76 62.098 5.307 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 76 60.496 3.147 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.941 3.063 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.893 4.690 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.524 4.608 -6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 76 61.900 3.448 -7.290 1.00 0.00 H new ATOM 1110 N GLU A 77 63.051 2.118 -5.384 1.00 0.00 N ATOM 1111 CA GLU A 77 63.841 0.885 -5.655 1.00 0.00 C ATOM 1112 C GLU A 77 64.695 0.539 -4.434 1.00 0.00 C ATOM 1113 O GLU A 77 65.112 -0.588 -4.252 1.00 0.00 O ATOM 1114 CB GLU A 77 64.728 1.236 -6.850 1.00 0.00 C ATOM 1115 CG GLU A 77 65.674 0.071 -7.145 1.00 0.00 C ATOM 1116 CD GLU A 77 66.528 0.405 -8.370 1.00 0.00 C ATOM 1117 OE1 GLU A 77 65.963 0.536 -9.444 1.00 0.00 O ATOM 1118 OE2 GLU A 77 67.732 0.522 -8.213 1.00 0.00 O ATOM 0 H GLU A 77 63.396 2.964 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 77 63.209 0.021 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.112 1.448 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.301 2.139 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.314 -0.119 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.102 -0.839 -7.324 1.00 0.00 H new ATOM 1125 N PHE A 78 64.953 1.503 -3.594 1.00 0.00 N ATOM 1126 CA PHE A 78 65.774 1.237 -2.379 1.00 0.00 C ATOM 1127 C PHE A 78 64.945 0.464 -1.353 1.00 0.00 C ATOM 1128 O PHE A 78 65.472 -0.275 -0.545 1.00 0.00 O ATOM 1129 CB PHE A 78 66.145 2.622 -1.846 1.00 0.00 C ATOM 1130 CG PHE A 78 66.608 2.507 -0.413 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.791 1.821 -0.112 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.854 3.086 0.614 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.219 1.714 1.216 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.282 2.979 1.943 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.464 2.293 2.244 1.00 0.00 C ATOM 0 H PHE A 78 64.630 2.465 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 78 66.658 0.636 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.933 3.059 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.285 3.289 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.373 1.375 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.942 3.615 0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.131 1.185 1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.700 3.426 2.736 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.794 2.210 3.269 1.00 0.00 H new ATOM 1145 N LEU A 79 63.651 0.629 -1.379 1.00 0.00 N ATOM 1146 CA LEU A 79 62.787 -0.098 -0.406 1.00 0.00 C ATOM 1147 C LEU A 79 63.263 -1.544 -0.259 1.00 0.00 C ATOM 1148 O LEU A 79 63.195 -2.125 0.805 1.00 0.00 O ATOM 1149 CB LEU A 79 61.384 -0.052 -1.011 1.00 0.00 C ATOM 1150 CG LEU A 79 60.582 1.076 -0.364 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.552 0.879 1.153 1.00 0.00 C ATOM 1152 CD2 LEU A 79 61.240 2.419 -0.689 1.00 0.00 C ATOM 0 H LEU A 79 63.155 1.236 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 79 62.815 0.348 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.447 0.104 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.879 -1.006 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 79 59.563 1.065 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.980 1.684 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.085 -0.078 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.570 0.890 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.669 3.225 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 79 62.259 2.428 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.262 2.562 -1.769 1.00 0.00 H new ATOM 1164 N VAL A 80 63.748 -2.128 -1.320 1.00 0.00 N ATOM 1165 CA VAL A 80 64.232 -3.535 -1.239 1.00 0.00 C ATOM 1166 C VAL A 80 65.355 -3.639 -0.205 1.00 0.00 C ATOM 1167 O VAL A 80 65.397 -4.555 0.591 1.00 0.00 O ATOM 1168 CB VAL A 80 64.756 -3.860 -2.639 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.696 -3.499 -3.679 1.00 0.00 C ATOM 1170 CG2 VAL A 80 66.029 -3.055 -2.908 1.00 0.00 C ATOM 0 H VAL A 80 63.830 -1.692 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 80 63.448 -4.227 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 80 64.979 -4.925 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 80 64.071 -3.731 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.789 -4.074 -3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.471 -2.434 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.402 -3.287 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.807 -1.990 -2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.786 -3.314 -2.168 1.00 0.00 H new ATOM 1180 N MET A 81 66.262 -2.701 -0.207 1.00 0.00 N ATOM 1181 CA MET A 81 67.378 -2.742 0.780 1.00 0.00 C ATOM 1182 C MET A 81 66.822 -2.579 2.197 1.00 0.00 C ATOM 1183 O MET A 81 67.458 -2.932 3.169 1.00 0.00 O ATOM 1184 CB MET A 81 68.274 -1.559 0.414 1.00 0.00 C ATOM 1185 CG MET A 81 69.486 -2.058 -0.377 1.00 0.00 C ATOM 1186 SD MET A 81 70.732 -2.700 0.767 1.00 0.00 S ATOM 1187 CE MET A 81 70.231 -4.437 0.695 1.00 0.00 C ATOM 0 H MET A 81 66.279 -1.908 -0.849 1.00 0.00 H new ATOM 0 HA MET A 81 67.924 -3.685 0.755 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.714 -0.835 -0.178 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.603 -1.046 1.318 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.182 -2.838 -1.075 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.906 -1.246 -0.970 1.00 0.00 H new ATOM 0 HE1 MET A 81 71.116 -5.072 0.716 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.597 -4.669 1.551 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.677 -4.618 -0.226 1.00 0.00 H new ATOM 1197 N MET A 82 65.636 -2.047 2.318 1.00 0.00 N ATOM 1198 CA MET A 82 65.035 -1.860 3.668 1.00 0.00 C ATOM 1199 C MET A 82 64.348 -3.150 4.124 1.00 0.00 C ATOM 1200 O MET A 82 64.511 -3.588 5.244 1.00 0.00 O ATOM 1201 CB MET A 82 64.008 -0.740 3.493 1.00 0.00 C ATOM 1202 CG MET A 82 64.707 0.522 2.984 1.00 0.00 C ATOM 1203 SD MET A 82 64.983 1.656 4.366 1.00 0.00 S ATOM 1204 CE MET A 82 66.469 0.858 5.022 1.00 0.00 C ATOM 0 H MET A 82 65.057 -1.734 1.539 1.00 0.00 H new ATOM 0 HA MET A 82 65.783 -1.614 4.422 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.235 -1.049 2.789 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.512 -0.536 4.442 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.657 0.262 2.518 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.098 1.005 2.219 1.00 0.00 H new ATOM 0 HE1 MET A 82 66.224 0.338 5.948 1.00 0.00 H new ATOM 0 HE2 MET A 82 66.850 0.142 4.293 1.00 0.00 H new ATOM 0 HE3 MET A 82 67.230 1.613 5.221 1.00 0.00 H new ATOM 1214 N VAL A 83 63.580 -3.761 3.262 1.00 0.00 N ATOM 1215 CA VAL A 83 62.883 -5.022 3.650 1.00 0.00 C ATOM 1216 C VAL A 83 63.830 -6.215 3.494 1.00 0.00 C ATOM 1217 O VAL A 83 63.889 -7.085 4.339 1.00 0.00 O ATOM 1218 CB VAL A 83 61.701 -5.141 2.683 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.021 -3.779 2.532 1.00 0.00 C ATOM 1220 CG2 VAL A 83 62.200 -5.616 1.315 1.00 0.00 C ATOM 0 H VAL A 83 63.405 -3.443 2.309 1.00 0.00 H new ATOM 0 HA VAL A 83 62.554 -5.010 4.689 1.00 0.00 H new ATOM 0 HB VAL A 83 60.985 -5.862 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.180 -3.866 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 83 60.660 -3.443 3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 83 61.737 -3.056 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 83 61.357 -5.700 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 83 62.919 -4.898 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.680 -6.589 1.421 1.00 0.00 H new ATOM 1230 N ARG A 84 64.571 -6.260 2.422 1.00 0.00 N ATOM 1231 CA ARG A 84 65.512 -7.396 2.217 1.00 0.00 C ATOM 1232 C ARG A 84 66.468 -7.503 3.408 1.00 0.00 C ATOM 1233 O ARG A 84 66.799 -8.583 3.855 1.00 0.00 O ATOM 1234 CB ARG A 84 66.273 -7.052 0.937 1.00 0.00 C ATOM 1235 CG ARG A 84 65.289 -6.987 -0.234 1.00 0.00 C ATOM 1236 CD ARG A 84 65.121 -8.382 -0.841 1.00 0.00 C ATOM 1237 NE ARG A 84 63.683 -8.715 -0.641 1.00 0.00 N ATOM 1238 CZ ARG A 84 63.248 -9.914 -0.916 1.00 0.00 C ATOM 1239 NH1 ARG A 84 63.947 -10.958 -0.564 1.00 0.00 N ATOM 1240 NH2 ARG A 84 62.114 -10.069 -1.542 1.00 0.00 N ATOM 0 H ARG A 84 64.566 -5.560 1.680 1.00 0.00 H new ATOM 0 HA ARG A 84 65.000 -8.355 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.785 -6.096 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 84 67.039 -7.803 0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.325 -6.610 0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.653 -6.292 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.385 -8.387 -1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 84 65.767 -9.108 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 84 63.039 -8.006 -0.289 1.00 0.00 H new ATOM 0 HH11 ARG A 84 64.833 -10.837 -0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 84 63.607 -11.895 -0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 84 61.567 -9.253 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 84 61.774 -11.006 -1.757 1.00 0.00 H new ATOM 1254 N GLN A 85 66.908 -6.390 3.931 1.00 0.00 N ATOM 1255 CA GLN A 85 67.834 -6.431 5.099 1.00 0.00 C ATOM 1256 C GLN A 85 67.051 -6.775 6.369 1.00 0.00 C ATOM 1257 O GLN A 85 67.448 -7.622 7.145 1.00 0.00 O ATOM 1258 CB GLN A 85 68.424 -5.024 5.193 1.00 0.00 C ATOM 1259 CG GLN A 85 69.323 -4.926 6.427 1.00 0.00 C ATOM 1260 CD GLN A 85 70.685 -5.553 6.119 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.349 -5.160 5.182 1.00 0.00 O ATOM 1262 NE2 GLN A 85 71.132 -6.519 6.874 1.00 0.00 N ATOM 0 H GLN A 85 66.667 -5.456 3.600 1.00 0.00 H new ATOM 0 HA GLN A 85 68.613 -7.185 4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.997 -4.798 4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.624 -4.286 5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.448 -3.883 6.716 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.858 -5.437 7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.575 -6.850 7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 85 72.038 -6.943 6.676 1.00 0.00 H new ATOM 1271 N MET A 86 65.936 -6.129 6.583 1.00 0.00 N ATOM 1272 CA MET A 86 65.123 -6.426 7.798 1.00 0.00 C ATOM 1273 C MET A 86 64.458 -7.794 7.655 1.00 0.00 C ATOM 1274 O MET A 86 64.164 -8.459 8.628 1.00 0.00 O ATOM 1275 CB MET A 86 64.067 -5.324 7.854 1.00 0.00 C ATOM 1276 CG MET A 86 64.354 -4.399 9.037 1.00 0.00 C ATOM 1277 SD MET A 86 62.853 -3.478 9.460 1.00 0.00 S ATOM 1278 CE MET A 86 63.213 -3.244 11.217 1.00 0.00 C ATOM 0 H MET A 86 65.553 -5.409 5.970 1.00 0.00 H new ATOM 0 HA MET A 86 65.728 -6.452 8.704 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.071 -4.755 6.925 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.074 -5.762 7.955 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.690 -4.981 9.895 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.159 -3.708 8.786 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.283 -3.268 11.785 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.870 -4.042 11.563 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.703 -2.281 11.363 1.00 0.00 H new ATOM 1288 N LYS A 87 64.222 -8.222 6.445 1.00 0.00 N ATOM 1289 CA LYS A 87 63.582 -9.549 6.239 1.00 0.00 C ATOM 1290 C LYS A 87 64.309 -10.597 7.084 1.00 0.00 C ATOM 1291 O LYS A 87 63.748 -11.604 7.466 1.00 0.00 O ATOM 1292 CB LYS A 87 63.746 -9.840 4.745 1.00 0.00 C ATOM 1293 CG LYS A 87 62.443 -9.513 4.013 1.00 0.00 C ATOM 1294 CD LYS A 87 61.902 -10.778 3.343 1.00 0.00 C ATOM 1295 CE LYS A 87 60.417 -10.593 3.024 1.00 0.00 C ATOM 1296 NZ LYS A 87 60.390 -9.812 1.756 1.00 0.00 N ATOM 0 H LYS A 87 64.445 -7.710 5.592 1.00 0.00 H new ATOM 0 HA LYS A 87 62.533 -9.567 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.564 -9.246 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 87 64.007 -10.888 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.709 -9.118 4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.618 -8.739 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.458 -10.984 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 87 62.039 -11.637 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 87 59.916 -11.554 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 87 59.904 -10.062 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 59.404 -9.645 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 60.868 -8.900 1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 60.879 -10.345 1.009 1.00 0.00 H new ATOM 1310 N GLU A 88 65.554 -10.352 7.388 1.00 0.00 N ATOM 1311 CA GLU A 88 66.327 -11.314 8.223 1.00 0.00 C ATOM 1312 C GLU A 88 66.351 -10.830 9.675 1.00 0.00 C ATOM 1313 O GLU A 88 66.274 -11.612 10.603 1.00 0.00 O ATOM 1314 CB GLU A 88 67.736 -11.312 7.630 1.00 0.00 C ATOM 1315 CG GLU A 88 68.103 -12.726 7.179 1.00 0.00 C ATOM 1316 CD GLU A 88 67.642 -12.938 5.735 1.00 0.00 C ATOM 1317 OE1 GLU A 88 67.313 -11.956 5.091 1.00 0.00 O ATOM 1318 OE2 GLU A 88 67.627 -14.077 5.300 1.00 0.00 O ATOM 0 H GLU A 88 66.071 -9.524 7.093 1.00 0.00 H new ATOM 0 HA GLU A 88 65.893 -12.314 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.785 -10.625 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.453 -10.958 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.180 -12.875 7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.634 -13.461 7.833 1.00 0.00 H new ATOM 1325 N ASP A 89 66.454 -9.544 9.877 1.00 0.00 N ATOM 1326 CA ASP A 89 66.478 -9.004 11.266 1.00 0.00 C ATOM 1327 C ASP A 89 65.068 -9.028 11.863 1.00 0.00 C ATOM 1328 O ASP A 89 64.893 -9.157 13.059 1.00 0.00 O ATOM 1329 CB ASP A 89 66.977 -7.565 11.123 1.00 0.00 C ATOM 1330 CG ASP A 89 68.352 -7.566 10.453 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.962 -8.621 10.397 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.773 -6.511 10.008 1.00 0.00 O ATOM 0 H ASP A 89 66.523 -8.844 9.139 1.00 0.00 H new ATOM 0 HA ASP A 89 67.115 -9.591 11.928 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.272 -6.982 10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 89 67.038 -7.091 12.103 1.00 0.00 H new ATOM 1337 N ALA A 90 64.064 -8.904 11.040 1.00 0.00 N ATOM 1338 CA ALA A 90 62.666 -8.921 11.560 1.00 0.00 C ATOM 1339 C ALA A 90 62.185 -10.365 11.728 1.00 0.00 C ATOM 1340 O ALA A 90 61.090 -10.659 11.277 1.00 0.00 O ATOM 1341 CB ALA A 90 61.838 -8.200 10.497 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.918 -11.151 12.305 1.00 0.00 O ATOM 0 H ALA A 90 64.150 -8.792 10.030 1.00 0.00 H new ATOM 0 HA ALA A 90 62.581 -8.441 12.535 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.793 -8.171 10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.209 -7.182 10.375 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.920 -8.732 9.549 1.00 0.00 H new TER 1348 ALA A 90