USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=17 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 70 SER OG : rot 180:sc= 0.0123 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.105 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -109:sc= -1.45 (180deg=-5.53!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.565 K(o=-0.57,f=-4.8!) USER MOD Single : A 7 GLN : amide:sc= -1.76! C(o=-1.8!,f=-5.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -158:sc= -9.13! (180deg=-9.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 156:sc= -0.215 (180deg=-0.698) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -102:sc= 1.03 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 46 MET CE :methyl 150:sc= -1.46 (180deg=-2.15) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -5.21! C(o=-5.2!,f=-8.1!) USER MOD Single : A 52 ASN : amide:sc= -0.823 K(o=-0.82,f=-2.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -115:sc= -1 (180deg=-5.32!) USER MOD Single : A 82 MET CE :methyl -166:sc= -8.09! (180deg=-9.04!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.324 F(o=-0.92,f=-0.32) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 65.865 -4.871 -15.756 1.00 0.00 N ATOM 2 CA ALA A 1 66.428 -5.804 -14.738 1.00 0.00 C ATOM 3 C ALA A 1 65.298 -6.494 -13.971 1.00 0.00 C ATOM 4 O ALA A 1 64.140 -6.154 -14.114 1.00 0.00 O ATOM 5 CB ALA A 1 67.250 -4.920 -13.800 1.00 0.00 C ATOM 0 H1 ALA A 1 66.068 -5.234 -16.709 1.00 0.00 H new ATOM 0 H2 ALA A 1 64.836 -4.796 -15.626 1.00 0.00 H new ATOM 0 H3 ALA A 1 66.298 -3.932 -15.643 1.00 0.00 H new ATOM 0 HA ALA A 1 67.032 -6.591 -15.190 1.00 0.00 H new ATOM 0 HB1 ALA A 1 67.699 -5.535 -13.020 1.00 0.00 H new ATOM 0 HB2 ALA A 1 68.037 -4.421 -14.366 1.00 0.00 H new ATOM 0 HB3 ALA A 1 66.602 -4.172 -13.344 1.00 0.00 H new ATOM 13 N SER A 2 65.623 -7.460 -13.157 1.00 0.00 N ATOM 14 CA SER A 2 64.566 -8.169 -12.382 1.00 0.00 C ATOM 15 C SER A 2 64.259 -7.407 -11.089 1.00 0.00 C ATOM 16 O SER A 2 63.273 -7.664 -10.426 1.00 0.00 O ATOM 17 CB SER A 2 65.160 -9.541 -12.069 1.00 0.00 C ATOM 18 OG SER A 2 65.162 -10.331 -13.251 1.00 0.00 O ATOM 0 H SER A 2 66.575 -7.789 -12.995 1.00 0.00 H new ATOM 0 HA SER A 2 63.629 -8.247 -12.934 1.00 0.00 H new ATOM 0 HB2 SER A 2 66.176 -9.432 -11.688 1.00 0.00 H new ATOM 0 HB3 SER A 2 64.578 -10.033 -11.290 1.00 0.00 H new ATOM 0 HG SER A 2 65.544 -11.212 -13.055 1.00 0.00 H new ATOM 24 N MET A 3 65.093 -6.472 -10.726 1.00 0.00 N ATOM 25 CA MET A 3 64.846 -5.695 -9.477 1.00 0.00 C ATOM 26 C MET A 3 63.504 -4.962 -9.566 1.00 0.00 C ATOM 27 O MET A 3 62.775 -4.862 -8.598 1.00 0.00 O ATOM 28 CB MET A 3 65.998 -4.693 -9.396 1.00 0.00 C ATOM 29 CG MET A 3 67.113 -5.266 -8.519 1.00 0.00 C ATOM 30 SD MET A 3 68.407 -4.019 -8.299 1.00 0.00 S ATOM 31 CE MET A 3 68.073 -3.645 -6.560 1.00 0.00 C ATOM 0 H MET A 3 65.935 -6.212 -11.240 1.00 0.00 H new ATOM 0 HA MET A 3 64.801 -6.336 -8.596 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.380 -4.480 -10.395 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.644 -3.749 -8.982 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.712 -5.564 -7.550 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.530 -6.161 -8.981 1.00 0.00 H new ATOM 0 HE1 MET A 3 67.631 -2.652 -6.480 1.00 0.00 H new ATOM 0 HE2 MET A 3 67.381 -4.384 -6.155 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.005 -3.674 -5.996 1.00 0.00 H new ATOM 41 N THR A 4 63.174 -4.450 -10.719 1.00 0.00 N ATOM 42 CA THR A 4 61.880 -3.723 -10.870 1.00 0.00 C ATOM 43 C THR A 4 60.721 -4.597 -10.379 1.00 0.00 C ATOM 44 O THR A 4 59.650 -4.110 -10.078 1.00 0.00 O ATOM 45 CB THR A 4 61.751 -3.452 -12.369 1.00 0.00 C ATOM 46 OG1 THR A 4 60.564 -2.710 -12.614 1.00 0.00 O ATOM 47 CG2 THR A 4 61.691 -4.779 -13.127 1.00 0.00 C ATOM 0 H THR A 4 63.743 -4.503 -11.564 1.00 0.00 H new ATOM 0 HA THR A 4 61.852 -2.803 -10.286 1.00 0.00 H new ATOM 0 HB THR A 4 62.614 -2.881 -12.710 1.00 0.00 H new ATOM 0 HG1 THR A 4 60.481 -2.534 -13.574 1.00 0.00 H new ATOM 0 HG21 THR A 4 61.599 -4.584 -14.195 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.602 -5.347 -12.939 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.829 -5.353 -12.788 1.00 0.00 H new ATOM 55 N ASP A 5 60.927 -5.883 -10.299 1.00 0.00 N ATOM 56 CA ASP A 5 59.835 -6.785 -9.829 1.00 0.00 C ATOM 57 C ASP A 5 59.791 -6.811 -8.298 1.00 0.00 C ATOM 58 O ASP A 5 58.735 -6.796 -7.698 1.00 0.00 O ATOM 59 CB ASP A 5 60.194 -8.165 -10.380 1.00 0.00 C ATOM 60 CG ASP A 5 59.126 -9.176 -9.960 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.008 -9.058 -10.435 1.00 0.00 O ATOM 62 OD2 ASP A 5 59.445 -10.052 -9.172 1.00 0.00 O ATOM 0 H ASP A 5 61.802 -6.349 -10.538 1.00 0.00 H new ATOM 0 HA ASP A 5 58.853 -6.455 -10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.266 -8.127 -11.467 1.00 0.00 H new ATOM 0 HB3 ASP A 5 61.170 -8.475 -10.006 1.00 0.00 H new ATOM 67 N GLN A 6 60.930 -6.852 -7.663 1.00 0.00 N ATOM 68 CA GLN A 6 60.950 -6.880 -6.172 1.00 0.00 C ATOM 69 C GLN A 6 60.814 -5.460 -5.616 1.00 0.00 C ATOM 70 O GLN A 6 60.863 -5.244 -4.421 1.00 0.00 O ATOM 71 CB GLN A 6 62.311 -7.472 -5.804 1.00 0.00 C ATOM 72 CG GLN A 6 62.188 -8.990 -5.656 1.00 0.00 C ATOM 73 CD GLN A 6 62.613 -9.667 -6.961 1.00 0.00 C ATOM 74 OE1 GLN A 6 62.060 -9.395 -8.008 1.00 0.00 O ATOM 75 NE2 GLN A 6 63.577 -10.546 -6.941 1.00 0.00 N ATOM 0 H GLN A 6 61.846 -6.867 -8.111 1.00 0.00 H new ATOM 0 HA GLN A 6 60.127 -7.464 -5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.044 -7.230 -6.573 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.670 -7.034 -4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.813 -9.338 -4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.161 -9.260 -5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 6 64.041 -10.774 -6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 6 63.867 -11.005 -7.805 1.00 0.00 H new ATOM 84 N GLN A 7 60.642 -4.490 -6.472 1.00 0.00 N ATOM 85 CA GLN A 7 60.502 -3.085 -5.991 1.00 0.00 C ATOM 86 C GLN A 7 59.077 -2.838 -5.491 1.00 0.00 C ATOM 87 O GLN A 7 58.856 -2.556 -4.331 1.00 0.00 O ATOM 88 CB GLN A 7 60.804 -2.215 -7.212 1.00 0.00 C ATOM 89 CG GLN A 7 61.346 -0.860 -6.752 1.00 0.00 C ATOM 90 CD GLN A 7 60.301 0.226 -7.015 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.373 0.390 -6.249 1.00 0.00 O ATOM 92 NE2 GLN A 7 60.413 0.980 -8.075 1.00 0.00 N ATOM 0 H GLN A 7 60.592 -4.609 -7.484 1.00 0.00 H new ATOM 0 HA GLN A 7 61.172 -2.864 -5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.532 -2.711 -7.854 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.900 -2.075 -7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.589 -0.896 -5.690 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.269 -0.627 -7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 7 61.192 0.843 -8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 7 59.721 1.707 -8.259 1.00 0.00 H new ATOM 101 N ALA A 8 58.108 -2.939 -6.358 1.00 0.00 N ATOM 102 CA ALA A 8 56.699 -2.709 -5.930 1.00 0.00 C ATOM 103 C ALA A 8 56.397 -3.499 -4.652 1.00 0.00 C ATOM 104 O ALA A 8 55.864 -2.971 -3.697 1.00 0.00 O ATOM 105 CB ALA A 8 55.843 -3.216 -7.091 1.00 0.00 C ATOM 0 H ALA A 8 58.230 -3.171 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 8 56.502 -1.660 -5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.788 -3.081 -6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.085 -2.655 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.045 -4.274 -7.257 1.00 0.00 H new ATOM 111 N GLU A 9 56.735 -4.760 -4.627 1.00 0.00 N ATOM 112 CA GLU A 9 56.466 -5.576 -3.409 1.00 0.00 C ATOM 113 C GLU A 9 57.434 -5.190 -2.286 1.00 0.00 C ATOM 114 O GLU A 9 57.169 -5.409 -1.122 1.00 0.00 O ATOM 115 CB GLU A 9 56.698 -7.025 -3.840 1.00 0.00 C ATOM 116 CG GLU A 9 55.601 -7.450 -4.819 1.00 0.00 C ATOM 117 CD GLU A 9 54.591 -8.344 -4.098 1.00 0.00 C ATOM 118 OE1 GLU A 9 54.915 -8.827 -3.025 1.00 0.00 O ATOM 119 OE2 GLU A 9 53.510 -8.533 -4.632 1.00 0.00 O ATOM 0 H GLU A 9 57.184 -5.259 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 9 55.457 -5.421 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.677 -7.123 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 9 56.695 -7.679 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.100 -6.571 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 9 56.039 -7.984 -5.662 1.00 0.00 H new ATOM 126 N ALA A 10 58.557 -4.618 -2.628 1.00 0.00 N ATOM 127 CA ALA A 10 59.539 -4.220 -1.578 1.00 0.00 C ATOM 128 C ALA A 10 58.958 -3.106 -0.702 1.00 0.00 C ATOM 129 O ALA A 10 59.291 -2.981 0.460 1.00 0.00 O ATOM 130 CB ALA A 10 60.763 -3.719 -2.348 1.00 0.00 C ATOM 0 H ALA A 10 58.837 -4.409 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 10 59.788 -5.046 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.533 -3.406 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.150 -4.521 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.478 -2.873 -2.973 1.00 0.00 H new ATOM 136 N ARG A 11 58.090 -2.296 -1.247 1.00 0.00 N ATOM 137 CA ARG A 11 57.489 -1.194 -0.438 1.00 0.00 C ATOM 138 C ARG A 11 56.247 -1.703 0.297 1.00 0.00 C ATOM 139 O ARG A 11 56.167 -1.660 1.508 1.00 0.00 O ATOM 140 CB ARG A 11 57.099 -0.110 -1.447 1.00 0.00 C ATOM 141 CG ARG A 11 58.202 0.051 -2.496 1.00 0.00 C ATOM 142 CD ARG A 11 57.653 -0.329 -3.873 1.00 0.00 C ATOM 143 NE ARG A 11 56.846 0.847 -4.303 1.00 0.00 N ATOM 144 CZ ARG A 11 55.698 0.670 -4.900 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.909 -0.300 -4.524 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.338 1.464 -5.871 1.00 0.00 N ATOM 0 H ARG A 11 57.771 -2.349 -2.215 1.00 0.00 H new ATOM 0 HA ARG A 11 58.182 -0.816 0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.160 -0.375 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.935 0.836 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.561 1.080 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 11 59.053 -0.581 -2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.460 -0.533 -4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 11 57.041 -1.229 -3.819 1.00 0.00 H new ATOM 0 HE ARG A 11 57.190 1.792 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.189 -0.920 -3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.012 -0.438 -4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 11 55.953 2.223 -6.164 1.00 0.00 H new ATOM 0 HH22 ARG A 11 54.441 1.326 -6.337 1.00 0.00 H new ATOM 160 N ALA A 12 55.276 -2.180 -0.431 1.00 0.00 N ATOM 161 CA ALA A 12 54.035 -2.689 0.218 1.00 0.00 C ATOM 162 C ALA A 12 54.382 -3.699 1.316 1.00 0.00 C ATOM 163 O ALA A 12 53.600 -3.949 2.211 1.00 0.00 O ATOM 164 CB ALA A 12 53.253 -3.367 -0.908 1.00 0.00 C ATOM 0 H ALA A 12 55.288 -2.239 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 12 53.462 -1.893 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.321 -3.771 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.031 -2.638 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.849 -4.177 -1.329 1.00 0.00 H new ATOM 170 N PHE A 13 55.549 -4.281 1.258 1.00 0.00 N ATOM 171 CA PHE A 13 55.939 -5.271 2.302 1.00 0.00 C ATOM 172 C PHE A 13 55.624 -4.714 3.693 1.00 0.00 C ATOM 173 O PHE A 13 55.273 -5.441 4.600 1.00 0.00 O ATOM 174 CB PHE A 13 57.446 -5.462 2.124 1.00 0.00 C ATOM 175 CG PHE A 13 58.007 -6.191 3.320 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.554 -7.478 3.632 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.981 -5.579 4.117 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.076 -8.153 4.742 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.504 -6.253 5.227 1.00 0.00 C ATOM 180 CZ PHE A 13 59.051 -7.540 5.539 1.00 0.00 C ATOM 0 H PHE A 13 56.248 -4.114 0.534 1.00 0.00 H new ATOM 0 HA PHE A 13 55.399 -6.213 2.206 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.646 -6.027 1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.935 -4.494 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.802 -7.950 3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.330 -4.586 3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.727 -9.146 4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.256 -5.781 5.842 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.454 -8.061 6.395 1.00 0.00 H new ATOM 190 N LEU A 14 55.747 -3.426 3.866 1.00 0.00 N ATOM 191 CA LEU A 14 55.452 -2.819 5.196 1.00 0.00 C ATOM 192 C LEU A 14 54.230 -1.901 5.097 1.00 0.00 C ATOM 193 O LEU A 14 53.596 -1.805 4.066 1.00 0.00 O ATOM 194 CB LEU A 14 56.702 -2.011 5.547 1.00 0.00 C ATOM 195 CG LEU A 14 57.921 -2.933 5.537 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.143 -2.162 5.037 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.183 -3.443 6.956 1.00 0.00 C ATOM 0 H LEU A 14 56.039 -2.767 3.144 1.00 0.00 H new ATOM 0 HA LEU A 14 55.226 -3.570 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.839 -1.201 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.588 -1.551 6.529 1.00 0.00 H new ATOM 0 HG LEU A 14 57.732 -3.778 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.011 -2.821 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.956 -1.799 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.334 -1.316 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.052 -4.101 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.371 -2.597 7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 14 57.312 -3.994 7.311 1.00 0.00 H new ATOM 209 N SER A 15 53.896 -1.226 6.163 1.00 0.00 N ATOM 210 CA SER A 15 52.715 -0.315 6.129 1.00 0.00 C ATOM 211 C SER A 15 53.160 1.115 5.811 1.00 0.00 C ATOM 212 O SER A 15 54.327 1.445 5.887 1.00 0.00 O ATOM 213 CB SER A 15 52.117 -0.389 7.534 1.00 0.00 C ATOM 214 OG SER A 15 50.843 -1.015 7.469 1.00 0.00 O ATOM 0 H SER A 15 54.389 -1.265 7.055 1.00 0.00 H new ATOM 0 HA SER A 15 51.994 -0.602 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.778 -0.951 8.194 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.022 0.612 7.955 1.00 0.00 H new ATOM 0 HG SER A 15 50.457 -1.066 8.368 1.00 0.00 H new ATOM 220 N GLU A 16 52.237 1.967 5.454 1.00 0.00 N ATOM 221 CA GLU A 16 52.606 3.375 5.133 1.00 0.00 C ATOM 222 C GLU A 16 53.328 4.016 6.321 1.00 0.00 C ATOM 223 O GLU A 16 54.157 4.889 6.158 1.00 0.00 O ATOM 224 CB GLU A 16 51.274 4.081 4.869 1.00 0.00 C ATOM 225 CG GLU A 16 51.500 5.590 4.785 1.00 0.00 C ATOM 226 CD GLU A 16 50.159 6.297 4.573 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.659 6.253 3.461 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.657 6.870 5.525 1.00 0.00 O ATOM 0 H GLU A 16 51.244 1.749 5.371 1.00 0.00 H new ATOM 0 HA GLU A 16 53.280 3.442 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.836 3.717 3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.566 3.853 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.972 5.949 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.179 5.821 3.964 1.00 0.00 H new ATOM 235 N GLU A 17 53.022 3.588 7.515 1.00 0.00 N ATOM 236 CA GLU A 17 53.694 4.172 8.711 1.00 0.00 C ATOM 237 C GLU A 17 55.174 3.779 8.725 1.00 0.00 C ATOM 238 O GLU A 17 56.014 4.508 9.213 1.00 0.00 O ATOM 239 CB GLU A 17 52.966 3.568 9.913 1.00 0.00 C ATOM 240 CG GLU A 17 53.645 4.028 11.204 1.00 0.00 C ATOM 241 CD GLU A 17 53.838 2.831 12.136 1.00 0.00 C ATOM 242 OE1 GLU A 17 54.700 2.016 11.851 1.00 0.00 O ATOM 243 OE2 GLU A 17 53.119 2.748 13.118 1.00 0.00 O ATOM 0 H GLU A 17 52.336 2.860 7.714 1.00 0.00 H new ATOM 0 HA GLU A 17 53.652 5.261 8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.920 3.875 9.910 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.979 2.480 9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 17 54.609 4.485 10.977 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.039 4.790 11.694 1.00 0.00 H new ATOM 250 N MET A 18 55.497 2.633 8.192 1.00 0.00 N ATOM 251 CA MET A 18 56.923 2.195 8.173 1.00 0.00 C ATOM 252 C MET A 18 57.720 3.043 7.178 1.00 0.00 C ATOM 253 O MET A 18 58.788 3.534 7.484 1.00 0.00 O ATOM 254 CB MET A 18 56.880 0.730 7.728 1.00 0.00 C ATOM 255 CG MET A 18 58.250 0.308 7.191 1.00 0.00 C ATOM 256 SD MET A 18 58.349 0.687 5.424 1.00 0.00 S ATOM 257 CE MET A 18 60.105 1.122 5.383 1.00 0.00 C ATOM 0 H MET A 18 54.837 1.981 7.769 1.00 0.00 H new ATOM 0 HA MET A 18 57.407 2.309 9.143 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.597 0.094 8.567 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.121 0.597 6.957 1.00 0.00 H new ATOM 0 HG2 MET A 18 59.040 0.830 7.731 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.403 -0.759 7.354 1.00 0.00 H new ATOM 0 HE1 MET A 18 60.304 1.749 4.514 1.00 0.00 H new ATOM 0 HE2 MET A 18 60.366 1.666 6.290 1.00 0.00 H new ATOM 0 HE3 MET A 18 60.704 0.213 5.320 1.00 0.00 H new ATOM 267 N ILE A 19 57.211 3.220 5.989 1.00 0.00 N ATOM 268 CA ILE A 19 57.945 4.039 4.984 1.00 0.00 C ATOM 269 C ILE A 19 58.447 5.329 5.637 1.00 0.00 C ATOM 270 O ILE A 19 59.569 5.745 5.431 1.00 0.00 O ATOM 271 CB ILE A 19 56.918 4.335 3.887 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.824 3.130 2.948 1.00 0.00 C ATOM 273 CG2 ILE A 19 57.350 5.566 3.087 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.409 2.551 2.996 1.00 0.00 C ATOM 0 H ILE A 19 56.322 2.834 5.671 1.00 0.00 H new ATOM 0 HA ILE A 19 58.820 3.529 4.581 1.00 0.00 H new ATOM 0 HB ILE A 19 55.947 4.527 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.071 3.430 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 19 57.549 2.370 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 19 56.615 5.770 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 19 57.422 6.426 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 19 58.321 5.380 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.344 1.693 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 19 55.179 2.236 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.694 3.311 2.682 1.00 0.00 H new ATOM 286 N ALA A 20 57.626 5.960 6.431 1.00 0.00 N ATOM 287 CA ALA A 20 58.063 7.216 7.105 1.00 0.00 C ATOM 288 C ALA A 20 59.273 6.925 7.995 1.00 0.00 C ATOM 289 O ALA A 20 60.043 7.805 8.323 1.00 0.00 O ATOM 290 CB ALA A 20 56.866 7.654 7.947 1.00 0.00 C ATOM 0 H ALA A 20 56.674 5.661 6.642 1.00 0.00 H new ATOM 0 HA ALA A 20 58.360 7.991 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 20 57.111 8.575 8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 20 56.007 7.825 7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 20 56.625 6.874 8.669 1.00 0.00 H new ATOM 296 N GLU A 21 59.445 5.691 8.380 1.00 0.00 N ATOM 297 CA GLU A 21 60.604 5.328 9.243 1.00 0.00 C ATOM 298 C GLU A 21 61.877 5.247 8.395 1.00 0.00 C ATOM 299 O GLU A 21 62.892 5.829 8.724 1.00 0.00 O ATOM 300 CB GLU A 21 60.250 3.956 9.817 1.00 0.00 C ATOM 301 CG GLU A 21 61.276 3.565 10.881 1.00 0.00 C ATOM 302 CD GLU A 21 61.113 4.470 12.104 1.00 0.00 C ATOM 303 OE1 GLU A 21 61.731 5.521 12.126 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.373 4.095 12.998 1.00 0.00 O ATOM 0 H GLU A 21 58.830 4.915 8.133 1.00 0.00 H new ATOM 0 HA GLU A 21 60.789 6.061 10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 21 59.251 3.979 10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 21 60.234 3.211 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.140 2.522 11.167 1.00 0.00 H new ATOM 0 HG3 GLU A 21 62.285 3.657 10.479 1.00 0.00 H new ATOM 311 N PHE A 22 61.828 4.534 7.304 1.00 0.00 N ATOM 312 CA PHE A 22 63.032 4.421 6.431 1.00 0.00 C ATOM 313 C PHE A 22 63.190 5.691 5.591 1.00 0.00 C ATOM 314 O PHE A 22 64.287 6.104 5.273 1.00 0.00 O ATOM 315 CB PHE A 22 62.762 3.211 5.532 1.00 0.00 C ATOM 316 CG PHE A 22 62.878 1.929 6.333 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.993 1.973 7.730 1.00 0.00 C ATOM 318 CD2 PHE A 22 62.867 0.693 5.674 1.00 0.00 C ATOM 319 CE1 PHE A 22 63.097 0.785 8.463 1.00 0.00 C ATOM 320 CE2 PHE A 22 62.971 -0.494 6.408 1.00 0.00 C ATOM 321 CZ PHE A 22 63.087 -0.448 7.802 1.00 0.00 C ATOM 0 H PHE A 22 61.007 4.024 6.978 1.00 0.00 H new ATOM 0 HA PHE A 22 63.951 4.301 7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.766 3.287 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.472 3.197 4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 22 63.001 2.925 8.241 1.00 0.00 H new ATOM 0 HD2 PHE A 22 62.778 0.656 4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 22 63.185 0.820 9.539 1.00 0.00 H new ATOM 0 HE2 PHE A 22 62.962 -1.446 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 22 63.169 -1.364 8.368 1.00 0.00 H new ATOM 331 N LYS A 23 62.100 6.315 5.233 1.00 0.00 N ATOM 332 CA LYS A 23 62.189 7.561 4.418 1.00 0.00 C ATOM 333 C LYS A 23 62.710 8.714 5.277 1.00 0.00 C ATOM 334 O LYS A 23 63.505 9.521 4.836 1.00 0.00 O ATOM 335 CB LYS A 23 60.756 7.838 3.959 1.00 0.00 C ATOM 336 CG LYS A 23 60.683 9.230 3.327 1.00 0.00 C ATOM 337 CD LYS A 23 60.150 10.231 4.354 1.00 0.00 C ATOM 338 CE LYS A 23 60.441 11.656 3.876 1.00 0.00 C ATOM 339 NZ LYS A 23 59.352 11.968 2.909 1.00 0.00 N ATOM 0 H LYS A 23 61.154 6.017 5.469 1.00 0.00 H new ATOM 0 HA LYS A 23 62.873 7.457 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 23 60.441 7.083 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.073 7.775 4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 23 61.671 9.537 2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.033 9.210 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 23 59.077 10.093 4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.618 10.058 5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 23 60.443 12.359 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 23 61.420 11.721 3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.483 12.930 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.379 11.287 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.432 11.905 3.390 1.00 0.00 H new ATOM 353 N ALA A 24 62.272 8.796 6.503 1.00 0.00 N ATOM 354 CA ALA A 24 62.746 9.894 7.393 1.00 0.00 C ATOM 355 C ALA A 24 64.247 9.749 7.649 1.00 0.00 C ATOM 356 O ALA A 24 64.983 10.716 7.661 1.00 0.00 O ATOM 357 CB ALA A 24 61.960 9.719 8.693 1.00 0.00 C ATOM 0 H ALA A 24 61.606 8.150 6.927 1.00 0.00 H new ATOM 0 HA ALA A 24 62.590 10.880 6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.253 10.493 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.893 9.801 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.173 8.738 9.118 1.00 0.00 H new ATOM 363 N ALA A 25 64.709 8.544 7.853 1.00 0.00 N ATOM 364 CA ALA A 25 66.163 8.334 8.106 1.00 0.00 C ATOM 365 C ALA A 25 66.918 8.237 6.777 1.00 0.00 C ATOM 366 O ALA A 25 68.098 8.512 6.700 1.00 0.00 O ATOM 367 CB ALA A 25 66.245 7.011 8.867 1.00 0.00 C ATOM 0 H ALA A 25 64.142 7.696 7.855 1.00 0.00 H new ATOM 0 HA ALA A 25 66.609 9.154 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 25 67.287 6.784 9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.682 7.091 9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.824 6.213 8.256 1.00 0.00 H new ATOM 373 N PHE A 26 66.242 7.847 5.731 1.00 0.00 N ATOM 374 CA PHE A 26 66.916 7.731 4.407 1.00 0.00 C ATOM 375 C PHE A 26 67.281 9.123 3.876 1.00 0.00 C ATOM 376 O PHE A 26 68.303 9.307 3.243 1.00 0.00 O ATOM 377 CB PHE A 26 65.884 7.055 3.498 1.00 0.00 C ATOM 378 CG PHE A 26 66.230 7.312 2.052 1.00 0.00 C ATOM 379 CD1 PHE A 26 67.100 6.451 1.374 1.00 0.00 C ATOM 380 CD2 PHE A 26 65.683 8.418 1.390 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.423 6.693 0.035 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.007 8.662 0.050 1.00 0.00 C ATOM 383 CZ PHE A 26 66.877 7.800 -0.626 1.00 0.00 C ATOM 0 H PHE A 26 65.251 7.604 5.736 1.00 0.00 H new ATOM 0 HA PHE A 26 67.844 7.162 4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.863 5.982 3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.887 7.438 3.717 1.00 0.00 H new ATOM 0 HD1 PHE A 26 67.523 5.599 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.011 9.083 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 26 68.093 6.027 -0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 26 65.586 9.515 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.128 7.989 -1.659 1.00 0.00 H new ATOM 393 N ASP A 27 66.454 10.101 4.126 1.00 0.00 N ATOM 394 CA ASP A 27 66.754 11.476 3.630 1.00 0.00 C ATOM 395 C ASP A 27 67.934 12.077 4.399 1.00 0.00 C ATOM 396 O ASP A 27 68.377 13.173 4.118 1.00 0.00 O ATOM 397 CB ASP A 27 65.480 12.280 3.892 1.00 0.00 C ATOM 398 CG ASP A 27 65.150 12.246 5.386 1.00 0.00 C ATOM 399 OD1 ASP A 27 66.075 12.151 6.176 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.977 12.316 5.716 1.00 0.00 O ATOM 0 H ASP A 27 65.585 10.009 4.651 1.00 0.00 H new ATOM 0 HA ASP A 27 67.030 11.479 2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.614 13.310 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 27 64.652 11.866 3.317 1.00 0.00 H new ATOM 405 N MET A 28 68.448 11.370 5.368 1.00 0.00 N ATOM 406 CA MET A 28 69.596 11.906 6.152 1.00 0.00 C ATOM 407 C MET A 28 70.800 12.154 5.236 1.00 0.00 C ATOM 408 O MET A 28 71.727 12.852 5.593 1.00 0.00 O ATOM 409 CB MET A 28 69.919 10.816 7.176 1.00 0.00 C ATOM 410 CG MET A 28 68.778 10.713 8.190 1.00 0.00 C ATOM 411 SD MET A 28 69.152 11.749 9.628 1.00 0.00 S ATOM 412 CE MET A 28 68.041 13.117 9.216 1.00 0.00 C ATOM 0 H MET A 28 68.123 10.445 5.650 1.00 0.00 H new ATOM 0 HA MET A 28 69.360 12.858 6.627 1.00 0.00 H new ATOM 0 HB2 MET A 28 70.059 9.860 6.673 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.854 11.048 7.687 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.841 11.032 7.733 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.645 9.676 8.500 1.00 0.00 H new ATOM 0 HE1 MET A 28 67.778 13.658 10.125 1.00 0.00 H new ATOM 0 HE2 MET A 28 68.539 13.794 8.522 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.136 12.724 8.753 1.00 0.00 H new ATOM 422 N PHE A 29 70.795 11.585 4.060 1.00 0.00 N ATOM 423 CA PHE A 29 71.949 11.791 3.131 1.00 0.00 C ATOM 424 C PHE A 29 71.453 12.292 1.771 1.00 0.00 C ATOM 425 O PHE A 29 72.220 12.444 0.841 1.00 0.00 O ATOM 426 CB PHE A 29 72.612 10.414 2.977 1.00 0.00 C ATOM 427 CG PHE A 29 72.519 9.641 4.273 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.393 8.851 4.532 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.553 9.718 5.213 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.301 8.137 5.731 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.461 9.003 6.413 1.00 0.00 C ATOM 432 CZ PHE A 29 72.335 8.212 6.673 1.00 0.00 C ATOM 0 H PHE A 29 70.048 10.990 3.702 1.00 0.00 H new ATOM 0 HA PHE A 29 72.647 12.534 3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.126 9.856 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.657 10.535 2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.595 8.793 3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.421 10.328 5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.432 7.527 5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.259 9.061 7.139 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.264 7.660 7.599 1.00 0.00 H new ATOM 442 N ASP A 30 70.179 12.546 1.643 1.00 0.00 N ATOM 443 CA ASP A 30 69.646 13.032 0.336 1.00 0.00 C ATOM 444 C ASP A 30 69.615 14.564 0.307 1.00 0.00 C ATOM 445 O ASP A 30 68.681 15.165 -0.185 1.00 0.00 O ATOM 446 CB ASP A 30 68.228 12.460 0.248 1.00 0.00 C ATOM 447 CG ASP A 30 67.284 13.271 1.137 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.777 13.975 2.004 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.084 13.175 0.938 1.00 0.00 O ATOM 0 H ASP A 30 69.486 12.439 2.383 1.00 0.00 H new ATOM 0 HA ASP A 30 70.265 12.716 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.880 12.485 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.228 11.416 0.560 1.00 0.00 H new ATOM 454 N ALA A 31 70.630 15.200 0.827 1.00 0.00 N ATOM 455 CA ALA A 31 70.654 16.691 0.822 1.00 0.00 C ATOM 456 C ALA A 31 70.582 17.215 -0.615 1.00 0.00 C ATOM 457 O ALA A 31 70.140 18.319 -0.862 1.00 0.00 O ATOM 458 CB ALA A 31 71.989 17.069 1.465 1.00 0.00 C ATOM 0 H ALA A 31 71.441 14.753 1.254 1.00 0.00 H new ATOM 0 HA ALA A 31 69.808 17.120 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 31 72.082 18.154 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 31 72.031 16.670 2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 31 72.807 16.652 0.877 1.00 0.00 H new ATOM 464 N ASP A 32 71.013 16.429 -1.563 1.00 0.00 N ATOM 465 CA ASP A 32 70.969 16.879 -2.983 1.00 0.00 C ATOM 466 C ASP A 32 70.258 15.833 -3.846 1.00 0.00 C ATOM 467 O ASP A 32 70.123 15.989 -5.044 1.00 0.00 O ATOM 468 CB ASP A 32 72.434 17.014 -3.401 1.00 0.00 C ATOM 469 CG ASP A 32 72.995 18.337 -2.877 1.00 0.00 C ATOM 470 OD1 ASP A 32 72.907 18.563 -1.681 1.00 0.00 O ATOM 471 OD2 ASP A 32 73.506 19.101 -3.680 1.00 0.00 O ATOM 0 H ASP A 32 71.394 15.494 -1.416 1.00 0.00 H new ATOM 0 HA ASP A 32 70.423 17.815 -3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 32 73.014 16.179 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 32 72.518 16.976 -4.487 1.00 0.00 H new ATOM 476 N GLY A 33 69.801 14.767 -3.247 1.00 0.00 N ATOM 477 CA GLY A 33 69.098 13.713 -4.032 1.00 0.00 C ATOM 478 C GLY A 33 67.595 13.993 -4.031 1.00 0.00 C ATOM 479 O GLY A 33 66.915 13.790 -5.017 1.00 0.00 O ATOM 0 H GLY A 33 69.884 14.581 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 33 69.474 13.695 -5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 33 69.296 12.731 -3.602 1.00 0.00 H new ATOM 483 N GLY A 34 67.070 14.459 -2.930 1.00 0.00 N ATOM 484 CA GLY A 34 65.611 14.754 -2.866 1.00 0.00 C ATOM 485 C GLY A 34 64.817 13.456 -3.033 1.00 0.00 C ATOM 486 O GLY A 34 63.654 13.470 -3.379 1.00 0.00 O ATOM 0 H GLY A 34 67.589 14.648 -2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 34 65.366 15.222 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 34 65.338 15.462 -3.648 1.00 0.00 H new ATOM 490 N GLY A 35 65.437 12.333 -2.787 1.00 0.00 N ATOM 491 CA GLY A 35 64.716 11.037 -2.932 1.00 0.00 C ATOM 492 C GLY A 35 65.722 9.912 -3.181 1.00 0.00 C ATOM 493 O GLY A 35 65.428 8.750 -2.982 1.00 0.00 O ATOM 0 H GLY A 35 66.411 12.258 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 35 64.138 10.829 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.008 11.094 -3.759 1.00 0.00 H new ATOM 497 N ASP A 36 66.907 10.246 -3.615 1.00 0.00 N ATOM 498 CA ASP A 36 67.928 9.189 -3.875 1.00 0.00 C ATOM 499 C ASP A 36 69.293 9.626 -3.338 1.00 0.00 C ATOM 500 O ASP A 36 69.782 10.694 -3.650 1.00 0.00 O ATOM 501 CB ASP A 36 67.972 9.045 -5.396 1.00 0.00 C ATOM 502 CG ASP A 36 68.286 10.403 -6.029 1.00 0.00 C ATOM 503 OD1 ASP A 36 67.355 11.158 -6.257 1.00 0.00 O ATOM 504 OD2 ASP A 36 69.452 10.664 -6.275 1.00 0.00 O ATOM 0 H ASP A 36 67.212 11.201 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 36 67.681 8.248 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.730 8.315 -5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.016 8.672 -5.764 1.00 0.00 H new ATOM 509 N ILE A 37 69.913 8.806 -2.535 1.00 0.00 N ATOM 510 CA ILE A 37 71.248 9.170 -1.978 1.00 0.00 C ATOM 511 C ILE A 37 72.354 8.425 -2.732 1.00 0.00 C ATOM 512 O ILE A 37 72.091 7.526 -3.507 1.00 0.00 O ATOM 513 CB ILE A 37 71.200 8.730 -0.515 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.125 7.202 -0.443 1.00 0.00 C ATOM 515 CG2 ILE A 37 69.964 9.330 0.156 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.080 6.763 1.020 1.00 0.00 C ATOM 0 H ILE A 37 69.553 7.898 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 37 71.462 10.235 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 37 72.098 9.075 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.239 6.846 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 37 71.989 6.761 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 37 69.928 9.017 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.014 10.418 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.067 8.984 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.027 5.676 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 37 71.979 7.107 1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.202 7.193 1.502 1.00 0.00 H new ATOM 528 N SER A 38 73.587 8.791 -2.513 1.00 0.00 N ATOM 529 CA SER A 38 74.704 8.101 -3.221 1.00 0.00 C ATOM 530 C SER A 38 74.649 6.595 -2.953 1.00 0.00 C ATOM 531 O SER A 38 74.598 6.158 -1.820 1.00 0.00 O ATOM 532 CB SER A 38 75.979 8.704 -2.634 1.00 0.00 C ATOM 533 OG SER A 38 76.410 9.782 -3.455 1.00 0.00 O ATOM 0 H SER A 38 73.870 9.536 -1.876 1.00 0.00 H new ATOM 0 HA SER A 38 74.652 8.233 -4.302 1.00 0.00 H new ATOM 0 HB2 SER A 38 75.795 9.056 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.759 7.945 -2.572 1.00 0.00 H new ATOM 0 HG SER A 38 77.227 10.172 -3.080 1.00 0.00 H new ATOM 539 N THR A 39 74.661 5.798 -3.986 1.00 0.00 N ATOM 540 CA THR A 39 74.611 4.321 -3.787 1.00 0.00 C ATOM 541 C THR A 39 75.576 3.905 -2.674 1.00 0.00 C ATOM 542 O THR A 39 75.360 2.929 -1.985 1.00 0.00 O ATOM 543 CB THR A 39 75.050 3.725 -5.126 1.00 0.00 C ATOM 544 OG1 THR A 39 76.098 4.513 -5.672 1.00 0.00 O ATOM 545 CG2 THR A 39 73.865 3.706 -6.092 1.00 0.00 C ATOM 0 H THR A 39 74.703 6.105 -4.958 1.00 0.00 H new ATOM 0 HA THR A 39 73.619 3.978 -3.493 1.00 0.00 H new ATOM 0 HB THR A 39 75.404 2.706 -4.972 1.00 0.00 H new ATOM 0 HG1 THR A 39 75.739 5.090 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.179 3.281 -7.045 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.063 3.100 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 39 73.507 4.724 -6.249 1.00 0.00 H new ATOM 553 N LYS A 40 76.637 4.642 -2.492 1.00 0.00 N ATOM 554 CA LYS A 40 77.615 4.290 -1.423 1.00 0.00 C ATOM 555 C LYS A 40 77.006 4.558 -0.045 1.00 0.00 C ATOM 556 O LYS A 40 77.464 4.046 0.957 1.00 0.00 O ATOM 557 CB LYS A 40 78.815 5.204 -1.667 1.00 0.00 C ATOM 558 CG LYS A 40 79.805 4.510 -2.607 1.00 0.00 C ATOM 559 CD LYS A 40 80.447 5.548 -3.528 1.00 0.00 C ATOM 560 CE LYS A 40 81.916 5.185 -3.762 1.00 0.00 C ATOM 561 NZ LYS A 40 82.619 6.490 -3.895 1.00 0.00 N ATOM 0 H LYS A 40 76.869 5.472 -3.037 1.00 0.00 H new ATOM 0 HA LYS A 40 77.895 3.237 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.484 6.147 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.302 5.443 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.573 3.997 -2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.291 3.752 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 40 79.915 5.585 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.373 6.540 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.316 4.604 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.035 4.579 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.633 6.323 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.222 7.018 -4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.495 7.042 -3.022 1.00 0.00 H new ATOM 575 N GLU A 41 75.978 5.359 0.013 1.00 0.00 N ATOM 576 CA GLU A 41 75.340 5.662 1.326 1.00 0.00 C ATOM 577 C GLU A 41 74.275 4.612 1.653 1.00 0.00 C ATOM 578 O GLU A 41 73.472 4.788 2.549 1.00 0.00 O ATOM 579 CB GLU A 41 74.699 7.039 1.144 1.00 0.00 C ATOM 580 CG GLU A 41 74.610 7.744 2.498 1.00 0.00 C ATOM 581 CD GLU A 41 76.015 7.910 3.081 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.941 8.076 2.305 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.140 7.870 4.294 1.00 0.00 O ATOM 0 H GLU A 41 75.552 5.817 -0.792 1.00 0.00 H new ATOM 0 HA GLU A 41 76.057 5.650 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.288 7.637 0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.704 6.934 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.136 8.718 2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.988 7.166 3.181 1.00 0.00 H new ATOM 590 N LEU A 42 74.260 3.523 0.935 1.00 0.00 N ATOM 591 CA LEU A 42 73.247 2.463 1.206 1.00 0.00 C ATOM 592 C LEU A 42 73.582 1.728 2.508 1.00 0.00 C ATOM 593 O LEU A 42 72.716 1.200 3.174 1.00 0.00 O ATOM 594 CB LEU A 42 73.343 1.509 0.014 1.00 0.00 C ATOM 595 CG LEU A 42 71.977 1.401 -0.666 1.00 0.00 C ATOM 596 CD1 LEU A 42 72.129 1.681 -2.162 1.00 0.00 C ATOM 597 CD2 LEU A 42 71.421 -0.011 -0.467 1.00 0.00 C ATOM 0 H LEU A 42 74.906 3.321 0.172 1.00 0.00 H new ATOM 0 HA LEU A 42 72.244 2.873 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.087 1.871 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.673 0.525 0.348 1.00 0.00 H new ATOM 0 HG LEU A 42 71.293 2.128 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.156 1.604 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 42 72.528 2.685 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.812 0.953 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.447 -0.090 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.105 -0.737 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.314 -0.213 0.599 1.00 0.00 H new ATOM 609 N GLY A 43 74.835 1.691 2.873 1.00 0.00 N ATOM 610 CA GLY A 43 75.222 0.991 4.129 1.00 0.00 C ATOM 611 C GLY A 43 74.710 1.780 5.335 1.00 0.00 C ATOM 612 O GLY A 43 74.216 1.218 6.293 1.00 0.00 O ATOM 0 H GLY A 43 75.605 2.115 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.807 -0.017 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.306 0.890 4.182 1.00 0.00 H new ATOM 616 N THR A 44 74.825 3.080 5.297 1.00 0.00 N ATOM 617 CA THR A 44 74.344 3.902 6.443 1.00 0.00 C ATOM 618 C THR A 44 72.814 3.974 6.444 1.00 0.00 C ATOM 619 O THR A 44 72.169 3.661 7.426 1.00 0.00 O ATOM 620 CB THR A 44 74.946 5.289 6.216 1.00 0.00 C ATOM 621 OG1 THR A 44 76.364 5.190 6.202 1.00 0.00 O ATOM 622 CG2 THR A 44 74.509 6.228 7.341 1.00 0.00 C ATOM 0 H THR A 44 75.230 3.607 4.523 1.00 0.00 H new ATOM 0 HA THR A 44 74.640 3.480 7.404 1.00 0.00 H new ATOM 0 HB THR A 44 74.599 5.685 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.752 6.078 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.939 7.216 7.178 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.422 6.303 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.855 5.836 8.297 1.00 0.00 H new ATOM 630 N VAL A 45 72.227 4.386 5.352 1.00 0.00 N ATOM 631 CA VAL A 45 70.740 4.479 5.295 1.00 0.00 C ATOM 632 C VAL A 45 70.104 3.200 5.850 1.00 0.00 C ATOM 633 O VAL A 45 69.041 3.230 6.436 1.00 0.00 O ATOM 634 CB VAL A 45 70.410 4.651 3.811 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.552 3.309 3.090 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.973 5.159 3.667 1.00 0.00 C ATOM 0 H VAL A 45 72.713 4.662 4.498 1.00 0.00 H new ATOM 0 HA VAL A 45 70.354 5.304 5.894 1.00 0.00 H new ATOM 0 HB VAL A 45 71.099 5.370 3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.316 3.437 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.575 2.948 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.866 2.585 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.735 5.283 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.286 4.439 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.873 6.118 4.176 1.00 0.00 H new ATOM 646 N MET A 46 70.746 2.078 5.670 1.00 0.00 N ATOM 647 CA MET A 46 70.178 0.801 6.188 1.00 0.00 C ATOM 648 C MET A 46 70.440 0.679 7.692 1.00 0.00 C ATOM 649 O MET A 46 69.532 0.491 8.477 1.00 0.00 O ATOM 650 CB MET A 46 70.914 -0.300 5.424 1.00 0.00 C ATOM 651 CG MET A 46 70.294 -0.460 4.034 1.00 0.00 C ATOM 652 SD MET A 46 71.351 -1.527 3.023 1.00 0.00 S ATOM 653 CE MET A 46 70.187 -2.904 2.853 1.00 0.00 C ATOM 0 H MET A 46 71.640 1.990 5.186 1.00 0.00 H new ATOM 0 HA MET A 46 69.099 0.742 6.047 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.972 -0.051 5.336 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.853 -1.240 5.972 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.296 -0.891 4.116 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.182 0.515 3.559 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.358 -3.410 1.903 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.336 -3.609 3.671 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.166 -2.523 2.883 1.00 0.00 H new ATOM 663 N ARG A 47 71.676 0.785 8.098 1.00 0.00 N ATOM 664 CA ARG A 47 71.996 0.676 9.550 1.00 0.00 C ATOM 665 C ARG A 47 71.317 1.808 10.327 1.00 0.00 C ATOM 666 O ARG A 47 71.136 1.730 11.525 1.00 0.00 O ATOM 667 CB ARG A 47 73.517 0.803 9.630 1.00 0.00 C ATOM 668 CG ARG A 47 74.157 -0.568 9.404 1.00 0.00 C ATOM 669 CD ARG A 47 74.920 -0.991 10.661 1.00 0.00 C ATOM 670 NE ARG A 47 74.237 -2.231 11.125 1.00 0.00 N ATOM 671 CZ ARG A 47 73.576 -2.229 12.250 1.00 0.00 C ATOM 672 NH1 ARG A 47 72.694 -1.297 12.486 1.00 0.00 N ATOM 673 NH2 ARG A 47 73.796 -3.160 13.138 1.00 0.00 N ATOM 0 H ARG A 47 72.478 0.942 7.487 1.00 0.00 H new ATOM 0 HA ARG A 47 71.643 -0.260 9.983 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.873 1.510 8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.809 1.196 10.604 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.389 -1.305 9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.834 -0.528 8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.971 -1.178 10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.887 -0.213 11.424 1.00 0.00 H new ATOM 0 HE ARG A 47 74.286 -3.081 10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 47 72.521 -0.570 11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 47 72.177 -1.295 13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 47 74.485 -3.889 12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 47 73.279 -3.158 14.017 1.00 0.00 H new ATOM 687 N MET A 48 70.941 2.861 9.652 1.00 0.00 N ATOM 688 CA MET A 48 70.274 3.995 10.353 1.00 0.00 C ATOM 689 C MET A 48 68.821 3.636 10.677 1.00 0.00 C ATOM 690 O MET A 48 68.097 4.412 11.269 1.00 0.00 O ATOM 691 CB MET A 48 70.333 5.162 9.366 1.00 0.00 C ATOM 692 CG MET A 48 71.398 6.161 9.822 1.00 0.00 C ATOM 693 SD MET A 48 70.606 7.728 10.264 1.00 0.00 S ATOM 694 CE MET A 48 72.114 8.631 10.692 1.00 0.00 C ATOM 0 H MET A 48 71.067 2.985 8.647 1.00 0.00 H new ATOM 0 HA MET A 48 70.758 4.238 11.299 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.567 4.796 8.366 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.361 5.652 9.307 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.943 5.763 10.678 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.126 6.321 9.027 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.856 9.644 11.000 1.00 0.00 H new ATOM 0 HE2 MET A 48 72.623 8.121 11.510 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.772 8.672 9.824 1.00 0.00 H new ATOM 704 N LEU A 49 68.390 2.466 10.293 1.00 0.00 N ATOM 705 CA LEU A 49 66.984 2.059 10.580 1.00 0.00 C ATOM 706 C LEU A 49 66.961 0.955 11.641 1.00 0.00 C ATOM 707 O LEU A 49 66.097 0.920 12.494 1.00 0.00 O ATOM 708 CB LEU A 49 66.441 1.537 9.249 1.00 0.00 C ATOM 709 CG LEU A 49 66.820 2.506 8.129 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.267 1.991 6.799 1.00 0.00 C ATOM 711 CD2 LEU A 49 66.228 3.886 8.425 1.00 0.00 C ATOM 0 H LEU A 49 68.949 1.774 9.794 1.00 0.00 H new ATOM 0 HA LEU A 49 66.386 2.884 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 49 66.848 0.547 9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.357 1.432 9.302 1.00 0.00 H new ATOM 0 HG LEU A 49 67.906 2.581 8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.537 2.682 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.688 1.008 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.181 1.915 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 49 66.498 4.577 7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 49 65.142 3.810 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 49 66.621 4.255 9.372 1.00 0.00 H new ATOM 723 N GLY A 50 67.906 0.055 11.599 1.00 0.00 N ATOM 724 CA GLY A 50 67.934 -1.039 12.610 1.00 0.00 C ATOM 725 C GLY A 50 68.414 -2.340 11.962 1.00 0.00 C ATOM 726 O GLY A 50 68.679 -3.315 12.635 1.00 0.00 O ATOM 0 H GLY A 50 68.658 0.030 10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.595 -0.768 13.433 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.939 -1.179 13.033 1.00 0.00 H new ATOM 730 N GLN A 51 68.525 -2.368 10.661 1.00 0.00 N ATOM 731 CA GLN A 51 68.986 -3.616 9.984 1.00 0.00 C ATOM 732 C GLN A 51 70.513 -3.714 10.034 1.00 0.00 C ATOM 733 O GLN A 51 71.170 -2.969 10.734 1.00 0.00 O ATOM 734 CB GLN A 51 68.507 -3.493 8.536 1.00 0.00 C ATOM 735 CG GLN A 51 67.048 -3.030 8.510 1.00 0.00 C ATOM 736 CD GLN A 51 66.928 -1.771 7.650 1.00 0.00 C ATOM 737 OE1 GLN A 51 67.765 -0.892 7.719 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.916 -1.644 6.836 1.00 0.00 N ATOM 0 H GLN A 51 68.318 -1.586 10.040 1.00 0.00 H new ATOM 0 HA GLN A 51 68.592 -4.510 10.467 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.133 -2.783 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.603 -4.453 8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.412 -3.819 8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.702 -2.826 9.523 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.213 -2.381 6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.828 -0.808 6.258 1.00 0.00 H new ATOM 747 N ASN A 52 71.080 -4.628 9.296 1.00 0.00 N ATOM 748 CA ASN A 52 72.565 -4.776 9.298 1.00 0.00 C ATOM 749 C ASN A 52 73.021 -5.529 8.045 1.00 0.00 C ATOM 750 O ASN A 52 73.221 -6.727 8.077 1.00 0.00 O ATOM 751 CB ASN A 52 72.879 -5.586 10.557 1.00 0.00 C ATOM 752 CG ASN A 52 74.343 -6.026 10.531 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.141 -5.478 9.797 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.733 -7.001 11.306 1.00 0.00 N ATOM 0 H ASN A 52 70.580 -5.280 8.691 1.00 0.00 H new ATOM 0 HA ASN A 52 73.078 -3.814 9.294 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.685 -4.986 11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.227 -6.458 10.613 1.00 0.00 H new ATOM 0 HD21 ASN A 52 75.707 -7.302 11.295 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.063 -7.461 11.922 1.00 0.00 H new ATOM 761 N PRO A 53 73.167 -4.796 6.974 1.00 0.00 N ATOM 762 CA PRO A 53 73.600 -5.399 5.689 1.00 0.00 C ATOM 763 C PRO A 53 75.082 -5.780 5.747 1.00 0.00 C ATOM 764 O PRO A 53 75.938 -4.949 5.983 1.00 0.00 O ATOM 765 CB PRO A 53 73.364 -4.284 4.674 1.00 0.00 C ATOM 766 CG PRO A 53 73.419 -3.019 5.469 1.00 0.00 C ATOM 767 CD PRO A 53 72.946 -3.350 6.861 1.00 0.00 C ATOM 0 HA PRO A 53 73.062 -6.315 5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.125 -4.293 3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.399 -4.398 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.434 -2.622 5.491 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.787 -2.253 5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.508 -2.800 7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.895 -3.095 6.997 1.00 0.00 H new ATOM 775 N THR A 54 75.391 -7.029 5.529 1.00 0.00 N ATOM 776 CA THR A 54 76.818 -7.461 5.569 1.00 0.00 C ATOM 777 C THR A 54 77.630 -6.688 4.527 1.00 0.00 C ATOM 778 O THR A 54 77.154 -6.396 3.448 1.00 0.00 O ATOM 779 CB THR A 54 76.791 -8.952 5.228 1.00 0.00 C ATOM 780 OG1 THR A 54 76.441 -9.116 3.861 1.00 0.00 O ATOM 781 CG2 THR A 54 75.763 -9.661 6.110 1.00 0.00 C ATOM 0 H THR A 54 74.719 -7.768 5.325 1.00 0.00 H new ATOM 0 HA THR A 54 77.280 -7.274 6.538 1.00 0.00 H new ATOM 0 HB THR A 54 77.776 -9.384 5.406 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.425 -10.071 3.640 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.745 -10.723 5.866 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.034 -9.534 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.776 -9.232 5.936 1.00 0.00 H new ATOM 789 N LYS A 55 78.851 -6.354 4.840 1.00 0.00 N ATOM 790 CA LYS A 55 79.691 -5.602 3.865 1.00 0.00 C ATOM 791 C LYS A 55 79.516 -6.182 2.459 1.00 0.00 C ATOM 792 O LYS A 55 79.296 -5.465 1.503 1.00 0.00 O ATOM 793 CB LYS A 55 81.129 -5.792 4.349 1.00 0.00 C ATOM 794 CG LYS A 55 82.049 -4.821 3.609 1.00 0.00 C ATOM 795 CD LYS A 55 83.298 -4.557 4.453 1.00 0.00 C ATOM 796 CE LYS A 55 83.361 -3.075 4.828 1.00 0.00 C ATOM 797 NZ LYS A 55 84.814 -2.771 4.952 1.00 0.00 N ATOM 0 H LYS A 55 79.304 -6.569 5.728 1.00 0.00 H new ATOM 0 HA LYS A 55 79.417 -4.549 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.188 -5.618 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.450 -6.819 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.332 -5.237 2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.525 -3.885 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.276 -5.170 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 55 84.192 -4.840 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.892 -2.454 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.836 -2.882 5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.939 -1.771 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.233 -3.372 5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.286 -2.958 4.045 1.00 0.00 H new ATOM 811 N GLU A 56 79.609 -7.477 2.326 1.00 0.00 N ATOM 812 CA GLU A 56 79.445 -8.103 0.983 1.00 0.00 C ATOM 813 C GLU A 56 78.145 -7.624 0.335 1.00 0.00 C ATOM 814 O GLU A 56 78.104 -7.306 -0.838 1.00 0.00 O ATOM 815 CB GLU A 56 79.387 -9.607 1.250 1.00 0.00 C ATOM 816 CG GLU A 56 80.261 -10.342 0.233 1.00 0.00 C ATOM 817 CD GLU A 56 81.667 -10.530 0.807 1.00 0.00 C ATOM 818 OE1 GLU A 56 81.775 -11.088 1.886 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.611 -10.112 0.157 1.00 0.00 O ATOM 0 H GLU A 56 79.791 -8.129 3.089 1.00 0.00 H new ATOM 0 HA GLU A 56 80.256 -7.842 0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.731 -9.821 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.358 -9.959 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 56 79.822 -11.311 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.309 -9.776 -0.697 1.00 0.00 H new ATOM 826 N GLU A 57 77.082 -7.570 1.090 1.00 0.00 N ATOM 827 CA GLU A 57 75.784 -7.111 0.519 1.00 0.00 C ATOM 828 C GLU A 57 75.913 -5.677 -0.001 1.00 0.00 C ATOM 829 O GLU A 57 75.678 -5.403 -1.161 1.00 0.00 O ATOM 830 CB GLU A 57 74.796 -7.174 1.684 1.00 0.00 C ATOM 831 CG GLU A 57 74.352 -8.622 1.896 1.00 0.00 C ATOM 832 CD GLU A 57 73.243 -8.967 0.901 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.662 -8.048 0.349 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.995 -10.146 0.706 1.00 0.00 O ATOM 0 H GLU A 57 77.056 -7.824 2.078 1.00 0.00 H new ATOM 0 HA GLU A 57 75.461 -7.725 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.261 -6.788 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.931 -6.544 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.198 -9.296 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 57 73.995 -8.758 2.917 1.00 0.00 H new ATOM 841 N LEU A 58 76.289 -4.758 0.847 1.00 0.00 N ATOM 842 CA LEU A 58 76.432 -3.345 0.393 1.00 0.00 C ATOM 843 C LEU A 58 77.160 -3.305 -0.953 1.00 0.00 C ATOM 844 O LEU A 58 76.718 -2.670 -1.890 1.00 0.00 O ATOM 845 CB LEU A 58 77.263 -2.656 1.477 1.00 0.00 C ATOM 846 CG LEU A 58 76.569 -2.798 2.834 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.213 -1.838 3.837 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.084 -2.458 2.689 1.00 0.00 C ATOM 0 H LEU A 58 76.503 -4.924 1.831 1.00 0.00 H new ATOM 0 HA LEU A 58 75.469 -2.853 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.259 -3.098 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.392 -1.601 1.233 1.00 0.00 H new ATOM 0 HG LEU A 58 76.674 -3.823 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.720 -1.938 4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.271 -2.078 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 58 77.107 -0.814 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.591 -2.560 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.978 -1.433 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.623 -3.139 1.974 1.00 0.00 H new ATOM 860 N ASP A 59 78.271 -3.982 -1.056 1.00 0.00 N ATOM 861 CA ASP A 59 79.023 -3.988 -2.344 1.00 0.00 C ATOM 862 C ASP A 59 78.223 -4.740 -3.409 1.00 0.00 C ATOM 863 O ASP A 59 78.317 -4.458 -4.587 1.00 0.00 O ATOM 864 CB ASP A 59 80.330 -4.720 -2.038 1.00 0.00 C ATOM 865 CG ASP A 59 81.496 -3.978 -2.694 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.243 -2.990 -3.363 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.622 -4.413 -2.517 1.00 0.00 O ATOM 0 H ASP A 59 78.690 -4.531 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 59 79.202 -2.983 -2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.483 -4.779 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.281 -5.744 -2.409 1.00 0.00 H new ATOM 872 N ALA A 60 77.433 -5.696 -3.001 1.00 0.00 N ATOM 873 CA ALA A 60 76.624 -6.467 -3.986 1.00 0.00 C ATOM 874 C ALA A 60 75.397 -5.655 -4.406 1.00 0.00 C ATOM 875 O ALA A 60 75.032 -5.616 -5.564 1.00 0.00 O ATOM 876 CB ALA A 60 76.199 -7.735 -3.246 1.00 0.00 C ATOM 0 H ALA A 60 77.313 -5.976 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 60 77.183 -6.695 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.597 -8.358 -3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.085 -8.288 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.612 -7.465 -2.368 1.00 0.00 H new ATOM 882 N ILE A 61 74.759 -5.000 -3.473 1.00 0.00 N ATOM 883 CA ILE A 61 73.560 -4.188 -3.824 1.00 0.00 C ATOM 884 C ILE A 61 73.991 -2.942 -4.606 1.00 0.00 C ATOM 885 O ILE A 61 73.387 -2.579 -5.594 1.00 0.00 O ATOM 886 CB ILE A 61 72.929 -3.807 -2.481 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.052 -4.960 -1.983 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.061 -2.557 -2.649 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.881 -6.244 -1.899 1.00 0.00 C ATOM 0 H ILE A 61 75.016 -4.993 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 61 72.854 -4.729 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 61 73.722 -3.605 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.639 -4.718 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 61 71.208 -5.105 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.615 -2.292 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.677 -1.731 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.271 -2.757 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.252 -7.061 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.272 -6.490 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 61 73.710 -6.097 -1.207 1.00 0.00 H new ATOM 901 N ILE A 62 75.035 -2.290 -4.173 1.00 0.00 N ATOM 902 CA ILE A 62 75.503 -1.074 -4.898 1.00 0.00 C ATOM 903 C ILE A 62 75.776 -1.420 -6.363 1.00 0.00 C ATOM 904 O ILE A 62 75.098 -0.956 -7.257 1.00 0.00 O ATOM 905 CB ILE A 62 76.793 -0.660 -4.193 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.452 -0.012 -2.848 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.552 0.342 -5.064 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.726 0.135 -2.014 1.00 0.00 C ATOM 0 H ILE A 62 75.583 -2.545 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 62 74.765 -0.272 -4.888 1.00 0.00 H new ATOM 0 HB ILE A 62 77.415 -1.539 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.995 0.965 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.723 -0.621 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.473 0.637 -4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.794 -0.118 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.931 1.222 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.483 0.596 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.164 -0.848 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.440 0.762 -2.548 1.00 0.00 H new ATOM 920 N GLU A 63 76.758 -2.241 -6.619 1.00 0.00 N ATOM 921 CA GLU A 63 77.055 -2.616 -8.030 1.00 0.00 C ATOM 922 C GLU A 63 75.749 -2.963 -8.747 1.00 0.00 C ATOM 923 O GLU A 63 75.589 -2.718 -9.926 1.00 0.00 O ATOM 924 CB GLU A 63 77.962 -3.844 -7.934 1.00 0.00 C ATOM 925 CG GLU A 63 78.898 -3.883 -9.145 1.00 0.00 C ATOM 926 CD GLU A 63 79.843 -5.079 -9.020 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.562 -5.950 -8.215 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.833 -5.103 -9.734 1.00 0.00 O ATOM 0 H GLU A 63 77.364 -2.666 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 63 77.531 -1.811 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.543 -3.809 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.360 -4.752 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.318 -3.959 -10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.471 -2.958 -9.205 1.00 0.00 H new ATOM 935 N GLU A 64 74.810 -3.524 -8.034 1.00 0.00 N ATOM 936 CA GLU A 64 73.505 -3.881 -8.657 1.00 0.00 C ATOM 937 C GLU A 64 72.707 -2.605 -8.943 1.00 0.00 C ATOM 938 O GLU A 64 72.315 -2.342 -10.062 1.00 0.00 O ATOM 939 CB GLU A 64 72.800 -4.748 -7.607 1.00 0.00 C ATOM 940 CG GLU A 64 71.283 -4.703 -7.818 1.00 0.00 C ATOM 941 CD GLU A 64 70.669 -6.035 -7.383 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.167 -7.062 -7.813 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.711 -6.005 -6.628 1.00 0.00 O ATOM 0 H GLU A 64 74.892 -3.751 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 64 73.613 -4.406 -9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.154 -5.777 -7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.046 -4.393 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.849 -3.885 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.056 -4.511 -8.867 1.00 0.00 H new ATOM 950 N VAL A 65 72.469 -1.810 -7.936 1.00 0.00 N ATOM 951 CA VAL A 65 71.703 -0.549 -8.147 1.00 0.00 C ATOM 952 C VAL A 65 72.606 0.514 -8.778 1.00 0.00 C ATOM 953 O VAL A 65 72.180 1.616 -9.059 1.00 0.00 O ATOM 954 CB VAL A 65 71.261 -0.119 -6.747 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.489 -1.260 -6.082 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.493 0.220 -5.903 1.00 0.00 C ATOM 0 H VAL A 65 72.772 -1.979 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 65 70.855 -0.684 -8.818 1.00 0.00 H new ATOM 0 HB VAL A 65 70.619 0.759 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.174 -0.953 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.611 -1.503 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.131 -2.138 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.178 0.526 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.135 -0.658 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 65 73.045 1.033 -6.375 1.00 0.00 H new ATOM 966 N ASP A 66 73.851 0.189 -9.004 1.00 0.00 N ATOM 967 CA ASP A 66 74.783 1.177 -9.617 1.00 0.00 C ATOM 968 C ASP A 66 74.829 0.987 -11.135 1.00 0.00 C ATOM 969 O ASP A 66 75.203 1.880 -11.871 1.00 0.00 O ATOM 970 CB ASP A 66 76.146 0.871 -8.995 1.00 0.00 C ATOM 971 CG ASP A 66 77.194 1.833 -9.558 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.823 2.939 -9.915 1.00 0.00 O ATOM 973 OD2 ASP A 66 78.349 1.446 -9.623 1.00 0.00 O ATOM 0 H ASP A 66 74.262 -0.719 -8.790 1.00 0.00 H new ATOM 0 HA ASP A 66 74.474 2.207 -9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.093 0.969 -7.911 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.431 -0.159 -9.208 1.00 0.00 H new ATOM 978 N GLU A 67 74.454 -0.169 -11.610 1.00 0.00 N ATOM 979 CA GLU A 67 74.479 -0.416 -13.080 1.00 0.00 C ATOM 980 C GLU A 67 73.487 0.508 -13.792 1.00 0.00 C ATOM 981 O GLU A 67 73.469 0.601 -15.003 1.00 0.00 O ATOM 982 CB GLU A 67 74.061 -1.878 -13.243 1.00 0.00 C ATOM 983 CG GLU A 67 74.989 -2.565 -14.246 1.00 0.00 C ATOM 984 CD GLU A 67 74.179 -3.524 -15.121 1.00 0.00 C ATOM 985 OE1 GLU A 67 72.978 -3.606 -14.919 1.00 0.00 O ATOM 986 OE2 GLU A 67 74.772 -4.158 -15.978 1.00 0.00 O ATOM 0 H GLU A 67 74.131 -0.954 -11.044 1.00 0.00 H new ATOM 0 HA GLU A 67 75.460 -0.221 -13.513 1.00 0.00 H new ATOM 0 HB2 GLU A 67 74.105 -2.389 -12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 67 73.029 -1.936 -13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 67 75.484 -1.820 -14.868 1.00 0.00 H new ATOM 0 HG3 GLU A 67 75.771 -3.111 -13.718 1.00 0.00 H new ATOM 993 N ASP A 68 72.659 1.192 -13.049 1.00 0.00 N ATOM 994 CA ASP A 68 71.669 2.107 -13.686 1.00 0.00 C ATOM 995 C ASP A 68 72.385 3.303 -14.320 1.00 0.00 C ATOM 996 O ASP A 68 71.806 4.052 -15.082 1.00 0.00 O ATOM 997 CB ASP A 68 70.763 2.568 -12.544 1.00 0.00 C ATOM 998 CG ASP A 68 69.706 1.497 -12.268 1.00 0.00 C ATOM 999 OD1 ASP A 68 70.088 0.378 -11.970 1.00 0.00 O ATOM 1000 OD2 ASP A 68 68.531 1.815 -12.359 1.00 0.00 O ATOM 0 H ASP A 68 72.625 1.157 -12.030 1.00 0.00 H new ATOM 0 HA ASP A 68 71.106 1.617 -14.480 1.00 0.00 H new ATOM 0 HB2 ASP A 68 71.355 2.750 -11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 68 70.282 3.511 -12.805 1.00 0.00 H new ATOM 1005 N GLY A 69 73.639 3.489 -14.011 1.00 0.00 N ATOM 1006 CA GLY A 69 74.388 4.637 -14.596 1.00 0.00 C ATOM 1007 C GLY A 69 74.101 5.903 -13.786 1.00 0.00 C ATOM 1008 O GLY A 69 74.688 6.942 -14.011 1.00 0.00 O ATOM 0 H GLY A 69 74.177 2.896 -13.379 1.00 0.00 H new ATOM 0 HA2 GLY A 69 75.457 4.426 -14.593 1.00 0.00 H new ATOM 0 HA3 GLY A 69 74.095 4.784 -15.635 1.00 0.00 H new ATOM 1012 N SER A 70 73.202 5.824 -12.843 1.00 0.00 N ATOM 1013 CA SER A 70 72.878 7.023 -12.019 1.00 0.00 C ATOM 1014 C SER A 70 73.854 7.139 -10.846 1.00 0.00 C ATOM 1015 O SER A 70 74.109 8.214 -10.342 1.00 0.00 O ATOM 1016 CB SER A 70 71.458 6.781 -11.512 1.00 0.00 C ATOM 1017 OG SER A 70 71.437 5.601 -10.721 1.00 0.00 O ATOM 0 H SER A 70 72.678 4.981 -12.608 1.00 0.00 H new ATOM 0 HA SER A 70 72.956 7.949 -12.589 1.00 0.00 H new ATOM 0 HB2 SER A 70 71.120 7.633 -10.923 1.00 0.00 H new ATOM 0 HB3 SER A 70 70.771 6.681 -12.353 1.00 0.00 H new ATOM 0 HG SER A 70 70.527 5.444 -10.392 1.00 0.00 H new ATOM 1023 N GLY A 71 74.401 6.038 -10.407 1.00 0.00 N ATOM 1024 CA GLY A 71 75.359 6.086 -9.266 1.00 0.00 C ATOM 1025 C GLY A 71 74.601 6.387 -7.972 1.00 0.00 C ATOM 1026 O GLY A 71 75.188 6.552 -6.921 1.00 0.00 O ATOM 0 H GLY A 71 74.226 5.108 -10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 71 75.884 5.135 -9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 71 76.114 6.852 -9.444 1.00 0.00 H new ATOM 1030 N THR A 72 73.298 6.457 -8.036 1.00 0.00 N ATOM 1031 CA THR A 72 72.505 6.746 -6.807 1.00 0.00 C ATOM 1032 C THR A 72 71.396 5.706 -6.633 1.00 0.00 C ATOM 1033 O THR A 72 71.153 4.891 -7.501 1.00 0.00 O ATOM 1034 CB THR A 72 71.906 8.134 -7.040 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.513 8.255 -8.400 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.945 9.205 -6.710 1.00 0.00 C ATOM 0 H THR A 72 72.749 6.327 -8.886 1.00 0.00 H new ATOM 0 HA THR A 72 73.116 6.710 -5.905 1.00 0.00 H new ATOM 0 HB THR A 72 71.037 8.267 -6.396 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.127 9.143 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.515 10.193 -6.877 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.245 9.112 -5.666 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.817 9.076 -7.351 1.00 0.00 H new ATOM 1044 N ILE A 73 70.720 5.729 -5.517 1.00 0.00 N ATOM 1045 CA ILE A 73 69.624 4.745 -5.288 1.00 0.00 C ATOM 1046 C ILE A 73 68.318 5.479 -4.975 1.00 0.00 C ATOM 1047 O ILE A 73 68.297 6.438 -4.231 1.00 0.00 O ATOM 1048 CB ILE A 73 70.081 3.920 -4.084 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.198 2.678 -3.954 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.963 4.762 -2.812 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.843 1.511 -4.705 1.00 0.00 C ATOM 0 H ILE A 73 70.879 6.387 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 73 69.436 4.120 -6.161 1.00 0.00 H new ATOM 0 HB ILE A 73 71.119 3.618 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.068 2.420 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.206 2.880 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.289 4.173 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.590 5.649 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.925 5.065 -2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.213 0.626 -4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.950 1.771 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.825 1.304 -4.280 1.00 0.00 H new ATOM 1063 N ASP A 74 67.227 5.037 -5.539 1.00 0.00 N ATOM 1064 CA ASP A 74 65.924 5.714 -5.273 1.00 0.00 C ATOM 1065 C ASP A 74 65.196 5.026 -4.116 1.00 0.00 C ATOM 1066 O ASP A 74 65.143 3.814 -4.038 1.00 0.00 O ATOM 1067 CB ASP A 74 65.129 5.563 -6.571 1.00 0.00 C ATOM 1068 CG ASP A 74 65.939 6.133 -7.737 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.392 7.259 -7.624 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.091 5.432 -8.724 1.00 0.00 O ATOM 0 H ASP A 74 67.181 4.238 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 74 66.052 6.759 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 74 64.903 4.512 -6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.175 6.084 -6.488 1.00 0.00 H new ATOM 1075 N PHE A 75 64.634 5.788 -3.216 1.00 0.00 N ATOM 1076 CA PHE A 75 63.910 5.170 -2.067 1.00 0.00 C ATOM 1077 C PHE A 75 63.047 4.004 -2.555 1.00 0.00 C ATOM 1078 O PHE A 75 63.063 2.928 -1.991 1.00 0.00 O ATOM 1079 CB PHE A 75 63.032 6.285 -1.498 1.00 0.00 C ATOM 1080 CG PHE A 75 62.439 5.835 -0.182 1.00 0.00 C ATOM 1081 CD1 PHE A 75 63.197 5.917 0.992 1.00 0.00 C ATOM 1082 CD2 PHE A 75 61.132 5.333 -0.139 1.00 0.00 C ATOM 1083 CE1 PHE A 75 62.647 5.498 2.210 1.00 0.00 C ATOM 1084 CE2 PHE A 75 60.584 4.914 1.080 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.342 4.997 2.254 1.00 0.00 C ATOM 0 H PHE A 75 64.645 6.808 -3.226 1.00 0.00 H new ATOM 0 HA PHE A 75 64.593 4.771 -1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.622 7.190 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.237 6.532 -2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 75 64.205 6.303 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 75 60.547 5.269 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 75 63.231 5.562 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 75 59.576 4.527 1.114 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.919 4.674 3.194 1.00 0.00 H new ATOM 1095 N GLU A 76 62.296 4.207 -3.603 1.00 0.00 N ATOM 1096 CA GLU A 76 61.437 3.107 -4.126 1.00 0.00 C ATOM 1097 C GLU A 76 62.285 1.858 -4.371 1.00 0.00 C ATOM 1098 O GLU A 76 62.119 0.845 -3.719 1.00 0.00 O ATOM 1099 CB GLU A 76 60.868 3.639 -5.443 1.00 0.00 C ATOM 1100 CG GLU A 76 59.425 4.098 -5.225 1.00 0.00 C ATOM 1101 CD GLU A 76 58.688 4.121 -6.565 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.140 4.822 -7.456 1.00 0.00 O ATOM 1103 OE2 GLU A 76 57.684 3.437 -6.678 1.00 0.00 O ATOM 0 H GLU A 76 62.240 5.085 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 76 60.647 2.827 -3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.475 4.469 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.903 2.862 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.919 3.426 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.412 5.090 -4.774 1.00 0.00 H new ATOM 1110 N GLU A 77 63.199 1.922 -5.299 1.00 0.00 N ATOM 1111 CA GLU A 77 64.063 0.739 -5.577 1.00 0.00 C ATOM 1112 C GLU A 77 64.915 0.421 -4.345 1.00 0.00 C ATOM 1113 O GLU A 77 65.306 -0.708 -4.122 1.00 0.00 O ATOM 1114 CB GLU A 77 64.948 1.161 -6.750 1.00 0.00 C ATOM 1115 CG GLU A 77 65.896 0.016 -7.111 1.00 0.00 C ATOM 1116 CD GLU A 77 65.756 -0.312 -8.600 1.00 0.00 C ATOM 1117 OE1 GLU A 77 65.241 0.524 -9.324 1.00 0.00 O ATOM 1118 OE2 GLU A 77 66.165 -1.393 -8.988 1.00 0.00 O ATOM 0 H GLU A 77 63.386 2.741 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 77 63.486 -0.156 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.331 1.421 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.519 2.051 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.925 0.296 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.666 -0.864 -6.511 1.00 0.00 H new ATOM 1125 N PHE A 78 65.201 1.409 -3.544 1.00 0.00 N ATOM 1126 CA PHE A 78 66.023 1.170 -2.324 1.00 0.00 C ATOM 1127 C PHE A 78 65.189 0.452 -1.259 1.00 0.00 C ATOM 1128 O PHE A 78 65.701 -0.312 -0.466 1.00 0.00 O ATOM 1129 CB PHE A 78 66.431 2.565 -1.845 1.00 0.00 C ATOM 1130 CG PHE A 78 66.896 2.497 -0.410 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.009 1.721 -0.068 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.210 3.212 0.580 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.437 1.659 1.264 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.637 3.150 1.911 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.750 2.373 2.253 1.00 0.00 C ATOM 0 H PHE A 78 64.901 2.374 -3.681 1.00 0.00 H new ATOM 0 HA PHE A 78 66.890 0.540 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.228 2.958 -2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.588 3.250 -1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.538 1.170 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.351 3.811 0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.297 1.061 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.108 3.701 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.079 2.324 3.281 1.00 0.00 H new ATOM 1145 N LEU A 79 63.905 0.691 -1.235 1.00 0.00 N ATOM 1146 CA LEU A 79 63.044 0.019 -0.221 1.00 0.00 C ATOM 1147 C LEU A 79 63.283 -1.493 -0.249 1.00 0.00 C ATOM 1148 O LEU A 79 63.354 -2.139 0.778 1.00 0.00 O ATOM 1149 CB LEU A 79 61.609 0.344 -0.638 1.00 0.00 C ATOM 1150 CG LEU A 79 61.231 1.734 -0.126 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.119 2.314 -1.001 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.741 1.631 1.320 1.00 0.00 C ATOM 0 H LEU A 79 63.417 1.321 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 79 63.257 0.357 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.517 0.307 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.924 -0.402 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 79 62.104 2.386 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.849 3.305 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.468 2.389 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.246 1.662 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.472 2.622 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.868 0.979 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.533 1.218 1.944 1.00 0.00 H new ATOM 1164 N VAL A 80 63.410 -2.061 -1.417 1.00 0.00 N ATOM 1165 CA VAL A 80 63.649 -3.530 -1.507 1.00 0.00 C ATOM 1166 C VAL A 80 64.939 -3.896 -0.770 1.00 0.00 C ATOM 1167 O VAL A 80 65.087 -4.990 -0.265 1.00 0.00 O ATOM 1168 CB VAL A 80 63.775 -3.824 -3.001 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.101 -3.269 -3.525 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.736 -5.337 -3.228 1.00 0.00 C ATOM 0 H VAL A 80 63.359 -1.573 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 80 62.847 -4.110 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 80 62.948 -3.352 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.188 -3.480 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.133 -2.191 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 80 65.928 -3.740 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.826 -5.547 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.563 -5.806 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.792 -5.736 -2.858 1.00 0.00 H new ATOM 1180 N MET A 81 65.872 -2.985 -0.697 1.00 0.00 N ATOM 1181 CA MET A 81 67.145 -3.283 0.017 1.00 0.00 C ATOM 1182 C MET A 81 66.898 -3.294 1.527 1.00 0.00 C ATOM 1183 O MET A 81 67.571 -3.978 2.273 1.00 0.00 O ATOM 1184 CB MET A 81 68.096 -2.147 -0.363 1.00 0.00 C ATOM 1185 CG MET A 81 69.069 -2.629 -1.441 1.00 0.00 C ATOM 1186 SD MET A 81 68.137 -3.216 -2.877 1.00 0.00 S ATOM 1187 CE MET A 81 68.551 -4.969 -2.715 1.00 0.00 C ATOM 0 H MET A 81 65.807 -2.050 -1.100 1.00 0.00 H new ATOM 0 HA MET A 81 67.555 -4.256 -0.253 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.528 -1.291 -0.728 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.648 -1.812 0.515 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.735 -1.817 -1.734 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.695 -3.430 -1.049 1.00 0.00 H new ATOM 0 HE1 MET A 81 69.146 -5.283 -3.573 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.123 -5.125 -1.800 1.00 0.00 H new ATOM 0 HE3 MET A 81 67.634 -5.557 -2.674 1.00 0.00 H new ATOM 1197 N MET A 82 65.934 -2.541 1.980 1.00 0.00 N ATOM 1198 CA MET A 82 65.636 -2.506 3.440 1.00 0.00 C ATOM 1199 C MET A 82 64.714 -3.668 3.814 1.00 0.00 C ATOM 1200 O MET A 82 64.944 -4.368 4.781 1.00 0.00 O ATOM 1201 CB MET A 82 64.930 -1.170 3.673 1.00 0.00 C ATOM 1202 CG MET A 82 65.872 -0.023 3.308 1.00 0.00 C ATOM 1203 SD MET A 82 65.209 1.530 3.960 1.00 0.00 S ATOM 1204 CE MET A 82 63.932 1.774 2.702 1.00 0.00 C ATOM 0 H MET A 82 65.339 -1.948 1.402 1.00 0.00 H new ATOM 0 HA MET A 82 66.536 -2.601 4.047 1.00 0.00 H new ATOM 0 HB2 MET A 82 64.024 -1.116 3.070 1.00 0.00 H new ATOM 0 HB3 MET A 82 64.624 -1.085 4.716 1.00 0.00 H new ATOM 0 HG2 MET A 82 66.865 -0.208 3.719 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.982 0.042 2.225 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.557 2.796 2.758 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.356 1.597 1.714 1.00 0.00 H new ATOM 0 HE3 MET A 82 63.113 1.076 2.875 1.00 0.00 H new ATOM 1214 N VAL A 83 63.673 -3.884 3.055 1.00 0.00 N ATOM 1215 CA VAL A 83 62.743 -5.006 3.373 1.00 0.00 C ATOM 1216 C VAL A 83 63.485 -6.338 3.270 1.00 0.00 C ATOM 1217 O VAL A 83 63.343 -7.206 4.109 1.00 0.00 O ATOM 1218 CB VAL A 83 61.632 -4.924 2.324 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.179 -3.471 2.166 1.00 0.00 C ATOM 1220 CG2 VAL A 83 62.153 -5.443 0.981 1.00 0.00 C ATOM 0 H VAL A 83 63.427 -3.334 2.232 1.00 0.00 H new ATOM 0 HA VAL A 83 62.342 -4.937 4.384 1.00 0.00 H new ATOM 0 HB VAL A 83 60.788 -5.534 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.388 -3.416 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 83 60.803 -3.101 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.023 -2.859 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 83 61.360 -5.384 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 83 62.999 -4.836 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.471 -6.480 1.090 1.00 0.00 H new ATOM 1230 N ARG A 84 64.280 -6.506 2.249 1.00 0.00 N ATOM 1231 CA ARG A 84 65.035 -7.780 2.097 1.00 0.00 C ATOM 1232 C ARG A 84 65.997 -7.951 3.274 1.00 0.00 C ATOM 1233 O ARG A 84 66.346 -9.052 3.651 1.00 0.00 O ATOM 1234 CB ARG A 84 65.802 -7.633 0.783 1.00 0.00 C ATOM 1235 CG ARG A 84 64.807 -7.537 -0.378 1.00 0.00 C ATOM 1236 CD ARG A 84 64.413 -8.943 -0.833 1.00 0.00 C ATOM 1237 NE ARG A 84 63.145 -8.760 -1.593 1.00 0.00 N ATOM 1238 CZ ARG A 84 62.130 -9.553 -1.376 1.00 0.00 C ATOM 1239 NH1 ARG A 84 61.868 -9.961 -0.164 1.00 0.00 N ATOM 1240 NH2 ARG A 84 61.377 -9.936 -2.370 1.00 0.00 N ATOM 0 H ARG A 84 64.439 -5.816 1.514 1.00 0.00 H new ATOM 0 HA ARG A 84 64.385 -8.655 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.430 -6.742 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.465 -8.486 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.921 -6.983 -0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.252 -6.987 -1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.187 -9.387 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.270 -9.608 0.019 1.00 0.00 H new ATOM 0 HE ARG A 84 63.069 -8.014 -2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 84 62.456 -9.661 0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 84 61.075 -10.580 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 84 61.581 -9.616 -3.317 1.00 0.00 H new ATOM 0 HH22 ARG A 84 60.584 -10.555 -2.200 1.00 0.00 H new ATOM 1254 N GLN A 85 66.421 -6.865 3.860 1.00 0.00 N ATOM 1255 CA GLN A 85 67.354 -6.955 5.018 1.00 0.00 C ATOM 1256 C GLN A 85 66.565 -6.986 6.330 1.00 0.00 C ATOM 1257 O GLN A 85 66.995 -7.560 7.311 1.00 0.00 O ATOM 1258 CB GLN A 85 68.208 -5.690 4.940 1.00 0.00 C ATOM 1259 CG GLN A 85 69.348 -5.779 5.956 1.00 0.00 C ATOM 1260 CD GLN A 85 70.384 -6.793 5.472 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.800 -6.742 4.236 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 70.820 -7.641 6.225 1.00 0.00 N flip ATOM 0 H GLN A 85 66.161 -5.918 3.586 1.00 0.00 H new ATOM 0 HA GLN A 85 67.961 -7.860 4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.612 -5.573 3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.595 -4.812 5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.813 -4.801 6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.959 -6.077 6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.495 -7.681 7.191 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.511 -8.313 5.891 1.00 0.00 H new ATOM 1271 N MET A 86 65.413 -6.370 6.358 1.00 0.00 N ATOM 1272 CA MET A 86 64.607 -6.365 7.611 1.00 0.00 C ATOM 1273 C MET A 86 63.694 -7.591 7.668 1.00 0.00 C ATOM 1274 O MET A 86 63.447 -8.135 8.724 1.00 0.00 O ATOM 1275 CB MET A 86 63.779 -5.084 7.557 1.00 0.00 C ATOM 1276 CG MET A 86 64.192 -4.168 8.708 1.00 0.00 C ATOM 1277 SD MET A 86 62.729 -3.703 9.668 1.00 0.00 S ATOM 1278 CE MET A 86 63.573 -2.640 10.864 1.00 0.00 C ATOM 0 H MET A 86 64.998 -5.872 5.570 1.00 0.00 H new ATOM 0 HA MET A 86 65.239 -6.401 8.498 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.930 -4.579 6.603 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.717 -5.320 7.628 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.914 -4.675 9.348 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.683 -3.276 8.318 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.846 -2.236 11.568 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.318 -3.222 11.406 1.00 0.00 H new ATOM 0 HE3 MET A 86 64.064 -1.820 10.339 1.00 0.00 H new ATOM 1288 N LYS A 87 63.194 -8.042 6.552 1.00 0.00 N ATOM 1289 CA LYS A 87 62.310 -9.239 6.591 1.00 0.00 C ATOM 1290 C LYS A 87 62.990 -10.327 7.422 1.00 0.00 C ATOM 1291 O LYS A 87 62.348 -11.184 7.997 1.00 0.00 O ATOM 1292 CB LYS A 87 62.145 -9.680 5.136 1.00 0.00 C ATOM 1293 CG LYS A 87 63.512 -9.747 4.453 1.00 0.00 C ATOM 1294 CD LYS A 87 63.940 -11.208 4.307 1.00 0.00 C ATOM 1295 CE LYS A 87 63.094 -11.883 3.224 1.00 0.00 C ATOM 1296 NZ LYS A 87 63.379 -13.338 3.365 1.00 0.00 N ATOM 0 H LYS A 87 63.356 -7.641 5.628 1.00 0.00 H new ATOM 0 HA LYS A 87 61.340 -9.035 7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 87 61.661 -10.656 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 87 61.498 -8.981 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 87 63.464 -9.272 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 87 64.250 -9.198 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 87 64.997 -11.264 4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 87 63.819 -11.730 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 87 62.034 -11.673 3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 87 63.363 -11.522 2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 62.835 -13.869 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 64.395 -13.508 3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 63.107 -13.654 4.318 1.00 0.00 H new ATOM 1310 N GLU A 88 64.293 -10.281 7.503 1.00 0.00 N ATOM 1311 CA GLU A 88 65.032 -11.289 8.313 1.00 0.00 C ATOM 1312 C GLU A 88 65.384 -10.691 9.678 1.00 0.00 C ATOM 1313 O GLU A 88 65.341 -11.359 10.692 1.00 0.00 O ATOM 1314 CB GLU A 88 66.302 -11.586 7.516 1.00 0.00 C ATOM 1315 CG GLU A 88 66.187 -12.966 6.866 1.00 0.00 C ATOM 1316 CD GLU A 88 67.587 -13.520 6.591 1.00 0.00 C ATOM 1317 OE1 GLU A 88 68.342 -12.852 5.904 1.00 0.00 O ATOM 1318 OE2 GLU A 88 67.879 -14.602 7.073 1.00 0.00 O ATOM 0 H GLU A 88 64.878 -9.585 7.041 1.00 0.00 H new ATOM 0 HA GLU A 88 64.448 -12.192 8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 88 66.451 -10.824 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.172 -11.553 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 88 65.639 -13.643 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 88 65.623 -12.896 5.936 1.00 0.00 H new ATOM 1325 N ASP A 89 65.732 -9.430 9.706 1.00 0.00 N ATOM 1326 CA ASP A 89 66.087 -8.778 11.001 1.00 0.00 C ATOM 1327 C ASP A 89 64.818 -8.450 11.792 1.00 0.00 C ATOM 1328 O ASP A 89 64.808 -8.467 13.006 1.00 0.00 O ATOM 1329 CB ASP A 89 66.820 -7.496 10.608 1.00 0.00 C ATOM 1330 CG ASP A 89 67.614 -6.974 11.808 1.00 0.00 C ATOM 1331 OD1 ASP A 89 67.168 -7.181 12.924 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.655 -6.376 11.590 1.00 0.00 O ATOM 0 H ASP A 89 65.785 -8.824 8.887 1.00 0.00 H new ATOM 0 HA ASP A 89 66.699 -9.420 11.635 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.491 -7.690 9.771 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.105 -6.743 10.276 1.00 0.00 H new ATOM 1337 N ALA A 90 63.747 -8.150 11.109 1.00 0.00 N ATOM 1338 CA ALA A 90 62.476 -7.820 11.815 1.00 0.00 C ATOM 1339 C ALA A 90 62.005 -9.018 12.642 1.00 0.00 C ATOM 1340 O ALA A 90 62.350 -10.133 12.285 1.00 0.00 O ATOM 1341 CB ALA A 90 61.475 -7.510 10.701 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.305 -8.802 13.618 1.00 0.00 O ATOM 0 H ALA A 90 63.697 -8.119 10.091 1.00 0.00 H new ATOM 0 HA ALA A 90 62.591 -6.984 12.505 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.510 -7.256 11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.837 -6.669 10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.364 -8.383 10.059 1.00 0.00 H new TER 1348 ALA A 90