USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 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 3 MET CE :methyl -118:sc= -0.137 (180deg=0) USER MOD Set 1.2: A 81 MET CE :methyl 155:sc= -4.29! (180deg=-5.94!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -5.32! C(o=-5.3!,f=-17!) USER MOD Single : A 7 GLN :FLIP amide:sc= -3.96! C(o=-5!,f=-4!) USER MOD Single : A 15 SER OG : rot -92:sc= 0.164 USER MOD Single : A 18 MET CE :methyl -143:sc= -0.306 (180deg=-1.81!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -131:sc= -0.131 (180deg=-0.817) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.239 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 -173:sc= -6.46! (180deg=-6.67!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -5.03! C(o=-5!,f=-4.9!) USER MOD Single : A 52 ASN : amide:sc= -0.301 K(o=-0.3,f=-3.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -2.63! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -41:sc= 0.155 USER MOD Single : A 82 MET CE :methyl -125:sc= -11.1! (180deg=-20.3!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.446 F(o=-1.3,f=-0.45) USER MOD Single : A 86 MET CE :methyl 160:sc= -1.99! (180deg=-2.53) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.870 -6.888 -10.108 1.00 0.00 N ATOM 25 CA MET A 3 64.882 -5.789 -9.101 1.00 0.00 C ATOM 26 C MET A 3 63.822 -4.741 -9.449 1.00 0.00 C ATOM 27 O MET A 3 63.009 -4.369 -8.626 1.00 0.00 O ATOM 28 CB MET A 3 66.283 -5.183 -9.193 1.00 0.00 C ATOM 29 CG MET A 3 67.204 -5.865 -8.180 1.00 0.00 C ATOM 30 SD MET A 3 67.635 -4.691 -6.872 1.00 0.00 S ATOM 31 CE MET A 3 67.841 -5.900 -5.541 1.00 0.00 C ATOM 0 HA MET A 3 64.657 -6.147 -8.096 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.679 -5.308 -10.201 1.00 0.00 H new ATOM 0 HB3 MET A 3 66.240 -4.112 -8.997 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.710 -6.737 -7.752 1.00 0.00 H new ATOM 0 HG3 MET A 3 68.107 -6.222 -8.676 1.00 0.00 H new ATOM 0 HE1 MET A 3 67.113 -5.702 -4.754 1.00 0.00 H new ATOM 0 HE2 MET A 3 67.686 -6.904 -5.935 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.848 -5.823 -5.132 1.00 0.00 H new ATOM 41 N THR A 4 63.827 -4.262 -10.661 1.00 0.00 N ATOM 42 CA THR A 4 62.822 -3.237 -11.064 1.00 0.00 C ATOM 43 C THR A 4 61.411 -3.700 -10.689 1.00 0.00 C ATOM 44 O THR A 4 60.512 -2.902 -10.516 1.00 0.00 O ATOM 45 CB THR A 4 62.962 -3.121 -12.583 1.00 0.00 C ATOM 46 OG1 THR A 4 64.157 -2.419 -12.894 1.00 0.00 O ATOM 47 CG2 THR A 4 61.760 -2.366 -13.151 1.00 0.00 C ATOM 0 H THR A 4 64.484 -4.536 -11.392 1.00 0.00 H new ATOM 0 HA THR A 4 62.985 -2.282 -10.565 1.00 0.00 H new ATOM 0 HB THR A 4 63.002 -4.118 -13.023 1.00 0.00 H new ATOM 0 HG1 THR A 4 64.249 -2.345 -13.867 1.00 0.00 H new ATOM 0 HG21 THR A 4 61.860 -2.284 -14.233 1.00 0.00 H new ATOM 0 HG22 THR A 4 60.844 -2.907 -12.912 1.00 0.00 H new ATOM 0 HG23 THR A 4 61.717 -1.368 -12.714 1.00 0.00 H new ATOM 55 N ASP A 5 61.209 -4.983 -10.566 1.00 0.00 N ATOM 56 CA ASP A 5 59.855 -5.493 -10.205 1.00 0.00 C ATOM 57 C ASP A 5 59.679 -5.500 -8.683 1.00 0.00 C ATOM 58 O ASP A 5 58.678 -5.052 -8.163 1.00 0.00 O ATOM 59 CB ASP A 5 59.808 -6.918 -10.757 1.00 0.00 C ATOM 60 CG ASP A 5 58.845 -6.974 -11.945 1.00 0.00 C ATOM 61 OD1 ASP A 5 59.082 -6.264 -12.908 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.887 -7.726 -11.870 1.00 0.00 O ATOM 0 H ASP A 5 61.922 -5.700 -10.700 1.00 0.00 H new ATOM 0 HA ASP A 5 59.058 -4.871 -10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.804 -7.232 -11.068 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.484 -7.610 -9.980 1.00 0.00 H new ATOM 67 N GLN A 6 60.645 -6.007 -7.967 1.00 0.00 N ATOM 68 CA GLN A 6 60.532 -6.044 -6.481 1.00 0.00 C ATOM 69 C GLN A 6 60.165 -4.657 -5.943 1.00 0.00 C ATOM 70 O GLN A 6 59.615 -4.524 -4.868 1.00 0.00 O ATOM 71 CB GLN A 6 61.919 -6.458 -5.989 1.00 0.00 C ATOM 72 CG GLN A 6 61.777 -7.537 -4.914 1.00 0.00 C ATOM 73 CD GLN A 6 61.151 -6.928 -3.658 1.00 0.00 C ATOM 74 OE1 GLN A 6 60.008 -6.514 -3.674 1.00 0.00 O ATOM 75 NE2 GLN A 6 61.856 -6.852 -2.563 1.00 0.00 N ATOM 0 H GLN A 6 61.508 -6.397 -8.347 1.00 0.00 H new ATOM 0 HA GLN A 6 59.757 -6.732 -6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.514 -6.834 -6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.446 -5.594 -5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 6 61.156 -8.353 -5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.753 -7.960 -4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 6 62.815 -7.199 -2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 6 61.448 -6.445 -1.721 1.00 0.00 H new ATOM 84 N GLN A 7 60.468 -3.626 -6.681 1.00 0.00 N ATOM 85 CA GLN A 7 60.141 -2.249 -6.214 1.00 0.00 C ATOM 86 C GLN A 7 58.717 -2.200 -5.650 1.00 0.00 C ATOM 87 O GLN A 7 58.391 -1.357 -4.837 1.00 0.00 O ATOM 88 CB GLN A 7 60.252 -1.370 -7.460 1.00 0.00 C ATOM 89 CG GLN A 7 61.350 -0.325 -7.250 1.00 0.00 C ATOM 90 CD GLN A 7 62.673 -0.854 -7.807 1.00 0.00 C ATOM 91 OE1 GLN A 7 63.318 -1.780 -7.152 1.00 0.00 O flip ATOM 92 NE2 GLN A 7 63.124 -0.419 -8.848 1.00 0.00 N flip ATOM 0 H GLN A 7 60.929 -3.677 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 7 60.808 -1.917 -5.418 1.00 0.00 H new ATOM 0 HB2 GLN A 7 60.481 -1.983 -8.332 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.300 -0.878 -7.657 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.080 0.606 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.454 -0.100 -6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 7 62.619 0.305 -9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 7 64.007 -0.778 -9.210 1.00 0.00 H new ATOM 101 N ALA A 8 57.866 -3.093 -6.075 1.00 0.00 N ATOM 102 CA ALA A 8 56.466 -3.091 -5.563 1.00 0.00 C ATOM 103 C ALA A 8 56.375 -3.880 -4.253 1.00 0.00 C ATOM 104 O ALA A 8 56.134 -3.327 -3.199 1.00 0.00 O ATOM 105 CB ALA A 8 55.645 -3.774 -6.657 1.00 0.00 C ATOM 0 H ALA A 8 58.079 -3.824 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 8 56.108 -2.084 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.598 -3.813 -6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.735 -3.210 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.016 -4.787 -6.811 1.00 0.00 H new ATOM 111 N GLU A 9 56.563 -5.170 -4.313 1.00 0.00 N ATOM 112 CA GLU A 9 56.484 -5.994 -3.073 1.00 0.00 C ATOM 113 C GLU A 9 57.366 -5.394 -1.974 1.00 0.00 C ATOM 114 O GLU A 9 57.023 -5.420 -0.808 1.00 0.00 O ATOM 115 CB GLU A 9 57.002 -7.373 -3.482 1.00 0.00 C ATOM 116 CG GLU A 9 56.691 -8.384 -2.378 1.00 0.00 C ATOM 117 CD GLU A 9 56.262 -9.711 -3.007 1.00 0.00 C ATOM 118 OE1 GLU A 9 55.703 -9.677 -4.091 1.00 0.00 O ATOM 119 OE2 GLU A 9 56.501 -10.739 -2.394 1.00 0.00 O ATOM 0 H GLU A 9 56.768 -5.689 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 9 55.471 -6.038 -2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.537 -7.685 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.077 -7.331 -3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 9 57.569 -8.534 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.899 -8.002 -1.733 1.00 0.00 H new ATOM 126 N ALA A 10 58.499 -4.858 -2.333 1.00 0.00 N ATOM 127 CA ALA A 10 59.400 -4.260 -1.305 1.00 0.00 C ATOM 128 C ALA A 10 58.639 -3.232 -0.464 1.00 0.00 C ATOM 129 O ALA A 10 58.375 -3.443 0.702 1.00 0.00 O ATOM 130 CB ALA A 10 60.517 -3.583 -2.100 1.00 0.00 C ATOM 0 H ALA A 10 58.841 -4.807 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 10 59.788 -5.008 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.223 -3.118 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.036 -4.327 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.089 -2.821 -2.751 1.00 0.00 H new ATOM 136 N ARG A 11 58.285 -2.119 -1.047 1.00 0.00 N ATOM 137 CA ARG A 11 57.543 -1.079 -0.279 1.00 0.00 C ATOM 138 C ARG A 11 56.198 -1.631 0.199 1.00 0.00 C ATOM 139 O ARG A 11 55.629 -1.156 1.161 1.00 0.00 O ATOM 140 CB ARG A 11 57.332 0.068 -1.267 1.00 0.00 C ATOM 141 CG ARG A 11 56.280 -0.334 -2.302 1.00 0.00 C ATOM 142 CD ARG A 11 56.690 0.199 -3.677 1.00 0.00 C ATOM 143 NE ARG A 11 55.978 1.499 -3.812 1.00 0.00 N ATOM 144 CZ ARG A 11 56.487 2.450 -4.547 1.00 0.00 C ATOM 145 NH1 ARG A 11 57.198 2.151 -5.600 1.00 0.00 N ATOM 146 NH2 ARG A 11 56.287 3.699 -4.227 1.00 0.00 N ATOM 0 H ARG A 11 58.477 -1.885 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 11 58.086 -0.757 0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 11 57.011 0.964 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.271 0.311 -1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 11 56.182 -1.419 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 11 55.306 0.066 -2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.770 0.331 -3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.404 -0.492 -4.470 1.00 0.00 H new ATOM 0 HE ARG A 11 55.091 1.647 -3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 11 57.356 1.174 -5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 11 57.596 2.894 -6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 11 55.733 3.932 -3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 11 56.685 4.442 -4.801 1.00 0.00 H new ATOM 160 N ALA A 12 55.687 -2.632 -0.464 1.00 0.00 N ATOM 161 CA ALA A 12 54.379 -3.210 -0.044 1.00 0.00 C ATOM 162 C ALA A 12 54.575 -4.143 1.155 1.00 0.00 C ATOM 163 O ALA A 12 53.640 -4.467 1.861 1.00 0.00 O ATOM 164 CB ALA A 12 53.883 -3.995 -1.258 1.00 0.00 C ATOM 0 H ALA A 12 56.117 -3.074 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 12 53.668 -2.443 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.921 -4.452 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.770 -3.320 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.604 -4.773 -1.507 1.00 0.00 H new ATOM 170 N PHE A 13 55.783 -4.576 1.391 1.00 0.00 N ATOM 171 CA PHE A 13 56.039 -5.488 2.544 1.00 0.00 C ATOM 172 C PHE A 13 55.550 -4.844 3.845 1.00 0.00 C ATOM 173 O PHE A 13 55.084 -5.516 4.745 1.00 0.00 O ATOM 174 CB PHE A 13 57.557 -5.674 2.570 1.00 0.00 C ATOM 175 CG PHE A 13 57.976 -6.246 3.904 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.636 -7.561 4.241 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.705 -5.458 4.805 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.025 -8.090 5.478 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.094 -5.987 6.042 1.00 0.00 C ATOM 180 CZ PHE A 13 58.754 -7.303 6.378 1.00 0.00 C ATOM 0 H PHE A 13 56.605 -4.338 0.836 1.00 0.00 H new ATOM 0 HA PHE A 13 55.515 -6.439 2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.865 -6.340 1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.053 -4.718 2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.074 -8.168 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.967 -4.443 4.545 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.763 -9.105 5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.656 -5.380 6.736 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.054 -7.711 7.332 1.00 0.00 H new ATOM 190 N LEU A 14 55.655 -3.548 3.952 1.00 0.00 N ATOM 191 CA LEU A 14 55.198 -2.861 5.196 1.00 0.00 C ATOM 192 C LEU A 14 54.033 -1.919 4.884 1.00 0.00 C ATOM 193 O LEU A 14 53.818 -1.534 3.752 1.00 0.00 O ATOM 194 CB LEU A 14 56.413 -2.069 5.684 1.00 0.00 C ATOM 195 CG LEU A 14 57.081 -1.371 4.498 1.00 0.00 C ATOM 196 CD1 LEU A 14 57.600 -0.001 4.937 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.250 -2.223 4.002 1.00 0.00 C ATOM 0 H LEU A 14 56.037 -2.934 3.233 1.00 0.00 H new ATOM 0 HA LEU A 14 54.843 -3.566 5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.105 -1.332 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.123 -2.737 6.173 1.00 0.00 H new ATOM 0 HG LEU A 14 56.355 -1.243 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 14 58.076 0.496 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 14 56.768 0.606 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 14 58.327 -0.127 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.728 -1.728 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.975 -2.349 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 14 57.881 -3.200 3.689 1.00 0.00 H new ATOM 209 N SER A 15 53.277 -1.546 5.882 1.00 0.00 N ATOM 210 CA SER A 15 52.126 -0.629 5.642 1.00 0.00 C ATOM 211 C SER A 15 52.620 0.814 5.503 1.00 0.00 C ATOM 212 O SER A 15 53.758 1.120 5.793 1.00 0.00 O ATOM 213 CB SER A 15 51.241 -0.774 6.879 1.00 0.00 C ATOM 214 OG SER A 15 52.011 -1.312 7.947 1.00 0.00 O ATOM 0 H SER A 15 53.407 -1.836 6.851 1.00 0.00 H new ATOM 0 HA SER A 15 51.589 -0.871 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 15 50.831 0.195 7.163 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.395 -1.426 6.661 1.00 0.00 H new ATOM 0 HG SER A 15 51.931 -2.289 7.948 1.00 0.00 H new ATOM 220 N GLU A 16 51.770 1.700 5.063 1.00 0.00 N ATOM 221 CA GLU A 16 52.191 3.122 4.905 1.00 0.00 C ATOM 222 C GLU A 16 52.643 3.689 6.253 1.00 0.00 C ATOM 223 O GLU A 16 53.340 4.683 6.318 1.00 0.00 O ATOM 224 CB GLU A 16 50.944 3.851 4.407 1.00 0.00 C ATOM 225 CG GLU A 16 51.141 5.361 4.558 1.00 0.00 C ATOM 226 CD GLU A 16 49.837 6.084 4.213 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.004 5.480 3.556 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.693 7.228 4.610 1.00 0.00 O ATOM 0 H GLU A 16 50.803 1.502 4.806 1.00 0.00 H new ATOM 0 HA GLU A 16 53.028 3.232 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.756 3.601 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.071 3.529 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.442 5.599 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.942 5.701 3.902 1.00 0.00 H new ATOM 235 N GLU A 17 52.254 3.065 7.331 1.00 0.00 N ATOM 236 CA GLU A 17 52.661 3.568 8.675 1.00 0.00 C ATOM 237 C GLU A 17 54.186 3.544 8.808 1.00 0.00 C ATOM 238 O GLU A 17 54.791 4.482 9.288 1.00 0.00 O ATOM 239 CB GLU A 17 52.019 2.603 9.671 1.00 0.00 C ATOM 240 CG GLU A 17 51.931 3.271 11.045 1.00 0.00 C ATOM 241 CD GLU A 17 50.956 4.448 10.979 1.00 0.00 C ATOM 242 OE1 GLU A 17 49.953 4.323 10.294 1.00 0.00 O ATOM 243 OE2 GLU A 17 51.228 5.453 11.614 1.00 0.00 O ATOM 0 H GLU A 17 51.671 2.228 7.340 1.00 0.00 H new ATOM 0 HA GLU A 17 52.344 4.597 8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.024 2.319 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.607 1.687 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.597 2.550 11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.916 3.618 11.356 1.00 0.00 H new ATOM 250 N MET A 18 54.811 2.478 8.390 1.00 0.00 N ATOM 251 CA MET A 18 56.297 2.395 8.495 1.00 0.00 C ATOM 252 C MET A 18 56.952 3.120 7.315 1.00 0.00 C ATOM 253 O MET A 18 57.965 3.774 7.462 1.00 0.00 O ATOM 254 CB MET A 18 56.615 0.900 8.449 1.00 0.00 C ATOM 255 CG MET A 18 58.109 0.688 8.701 1.00 0.00 C ATOM 256 SD MET A 18 58.331 -0.558 9.996 1.00 0.00 S ATOM 257 CE MET A 18 57.437 0.314 11.305 1.00 0.00 C ATOM 0 H MET A 18 54.358 1.661 7.980 1.00 0.00 H new ATOM 0 HA MET A 18 56.673 2.864 9.404 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.030 0.370 9.200 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.337 0.488 7.479 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.602 0.366 7.783 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.575 1.627 9.001 1.00 0.00 H new ATOM 0 HE1 MET A 18 57.935 0.146 12.260 1.00 0.00 H new ATOM 0 HE2 MET A 18 57.422 1.382 11.086 1.00 0.00 H new ATOM 0 HE3 MET A 18 56.414 -0.060 11.358 1.00 0.00 H new ATOM 267 N ILE A 19 56.382 3.009 6.146 1.00 0.00 N ATOM 268 CA ILE A 19 56.974 3.693 4.960 1.00 0.00 C ATOM 269 C ILE A 19 57.410 5.112 5.332 1.00 0.00 C ATOM 270 O ILE A 19 58.437 5.592 4.896 1.00 0.00 O ATOM 271 CB ILE A 19 55.852 3.732 3.921 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.551 2.308 3.444 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.289 4.584 2.729 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.517 2.355 2.318 1.00 0.00 C ATOM 0 H ILE A 19 55.533 2.475 5.961 1.00 0.00 H new ATOM 0 HA ILE A 19 57.858 3.177 4.585 1.00 0.00 H new ATOM 0 HB ILE A 19 54.957 4.165 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.465 1.830 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.175 1.707 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.489 4.612 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.506 5.597 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.183 4.151 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.303 1.342 1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 19 53.600 2.816 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.910 2.941 1.487 1.00 0.00 H new ATOM 286 N ALA A 20 56.636 5.790 6.135 1.00 0.00 N ATOM 287 CA ALA A 20 57.005 7.180 6.533 1.00 0.00 C ATOM 288 C ALA A 20 58.182 7.155 7.512 1.00 0.00 C ATOM 289 O ALA A 20 58.970 8.077 7.573 1.00 0.00 O ATOM 290 CB ALA A 20 55.756 7.743 7.209 1.00 0.00 C ATOM 0 H ALA A 20 55.764 5.442 6.533 1.00 0.00 H new ATOM 0 HA ALA A 20 57.314 7.785 5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.947 8.766 7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.925 7.734 6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.504 7.131 8.075 1.00 0.00 H new ATOM 296 N GLU A 21 58.306 6.106 8.278 1.00 0.00 N ATOM 297 CA GLU A 21 59.432 6.024 9.253 1.00 0.00 C ATOM 298 C GLU A 21 60.773 5.997 8.512 1.00 0.00 C ATOM 299 O GLU A 21 61.724 6.642 8.908 1.00 0.00 O ATOM 300 CB GLU A 21 59.210 4.711 10.006 1.00 0.00 C ATOM 301 CG GLU A 21 60.449 4.389 10.845 1.00 0.00 C ATOM 302 CD GLU A 21 60.046 4.242 12.314 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.486 5.184 12.851 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.305 3.192 12.877 1.00 0.00 O ATOM 0 H GLU A 21 57.678 5.303 8.272 1.00 0.00 H new ATOM 0 HA GLU A 21 59.458 6.881 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.333 4.792 10.649 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.015 3.903 9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.913 3.469 10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.190 5.181 10.738 1.00 0.00 H new ATOM 311 N PHE A 22 60.856 5.256 7.442 1.00 0.00 N ATOM 312 CA PHE A 22 62.137 5.190 6.680 1.00 0.00 C ATOM 313 C PHE A 22 62.342 6.475 5.874 1.00 0.00 C ATOM 314 O PHE A 22 63.455 6.858 5.572 1.00 0.00 O ATOM 315 CB PHE A 22 61.981 3.990 5.743 1.00 0.00 C ATOM 316 CG PHE A 22 61.627 2.754 6.539 1.00 0.00 C ATOM 317 CD1 PHE A 22 61.856 2.714 7.922 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.069 1.646 5.892 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.527 1.566 8.653 1.00 0.00 C ATOM 320 CE2 PHE A 22 60.739 0.498 6.624 1.00 0.00 C ATOM 321 CZ PHE A 22 60.968 0.458 8.004 1.00 0.00 C ATOM 0 H PHE A 22 60.094 4.694 7.062 1.00 0.00 H new ATOM 0 HA PHE A 22 63.001 5.086 7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.204 4.193 5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.907 3.825 5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.286 3.569 8.423 1.00 0.00 H new ATOM 0 HD2 PHE A 22 60.892 1.676 4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.704 1.535 9.718 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.308 -0.356 6.123 1.00 0.00 H new ATOM 0 HZ PHE A 22 60.714 -0.427 8.568 1.00 0.00 H new ATOM 331 N LYS A 23 61.278 7.143 5.523 1.00 0.00 N ATOM 332 CA LYS A 23 61.415 8.402 4.736 1.00 0.00 C ATOM 333 C LYS A 23 62.350 9.379 5.454 1.00 0.00 C ATOM 334 O LYS A 23 63.457 9.629 5.017 1.00 0.00 O ATOM 335 CB LYS A 23 60.000 8.975 4.655 1.00 0.00 C ATOM 336 CG LYS A 23 59.224 8.266 3.543 1.00 0.00 C ATOM 337 CD LYS A 23 59.826 8.632 2.186 1.00 0.00 C ATOM 338 CE LYS A 23 58.969 9.711 1.520 1.00 0.00 C ATOM 339 NZ LYS A 23 59.862 10.897 1.409 1.00 0.00 N ATOM 0 H LYS A 23 60.320 6.872 5.747 1.00 0.00 H new ATOM 0 HA LYS A 23 61.841 8.226 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.489 8.846 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.041 10.046 4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.262 7.187 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.174 8.556 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.847 8.992 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.877 7.749 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.618 9.388 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.085 9.937 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.345 11.680 0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 60.175 11.186 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 60.691 10.654 0.830 1.00 0.00 H new ATOM 353 N ALA A 24 61.916 9.932 6.553 1.00 0.00 N ATOM 354 CA ALA A 24 62.781 10.892 7.297 1.00 0.00 C ATOM 355 C ALA A 24 64.164 10.281 7.543 1.00 0.00 C ATOM 356 O ALA A 24 65.179 10.920 7.349 1.00 0.00 O ATOM 357 CB ALA A 24 62.058 11.131 8.622 1.00 0.00 C ATOM 0 H ALA A 24 61.000 9.761 6.968 1.00 0.00 H new ATOM 0 HA ALA A 24 62.938 11.818 6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.633 11.830 9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.070 11.548 8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.955 10.186 9.156 1.00 0.00 H new ATOM 363 N ALA A 25 64.210 9.049 7.971 1.00 0.00 N ATOM 364 CA ALA A 25 65.526 8.399 8.230 1.00 0.00 C ATOM 365 C ALA A 25 66.326 8.278 6.931 1.00 0.00 C ATOM 366 O ALA A 25 67.526 8.461 6.910 1.00 0.00 O ATOM 367 CB ALA A 25 65.181 7.014 8.778 1.00 0.00 C ATOM 0 H ALA A 25 63.394 8.465 8.152 1.00 0.00 H new ATOM 0 HA ALA A 25 66.139 8.973 8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.100 6.469 8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.597 7.120 9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.599 6.464 8.038 1.00 0.00 H new ATOM 373 N PHE A 26 65.669 7.969 5.846 1.00 0.00 N ATOM 374 CA PHE A 26 66.394 7.835 4.550 1.00 0.00 C ATOM 375 C PHE A 26 66.894 9.203 4.078 1.00 0.00 C ATOM 376 O PHE A 26 67.983 9.329 3.554 1.00 0.00 O ATOM 377 CB PHE A 26 65.359 7.277 3.572 1.00 0.00 C ATOM 378 CG PHE A 26 65.962 7.206 2.191 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.931 8.331 1.356 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.555 6.020 1.745 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.493 8.266 0.076 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.117 5.956 0.465 1.00 0.00 C ATOM 383 CZ PHE A 26 67.086 7.079 -0.369 1.00 0.00 C ATOM 0 H PHE A 26 64.663 7.804 5.801 1.00 0.00 H new ATOM 0 HA PHE A 26 67.268 7.189 4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.038 6.286 3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.473 7.912 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.474 9.247 1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.579 5.153 2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.469 9.132 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.574 5.040 0.121 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.520 7.030 -1.357 1.00 0.00 H new ATOM 393 N ASP A 27 66.106 10.228 4.257 1.00 0.00 N ATOM 394 CA ASP A 27 66.538 11.587 3.817 1.00 0.00 C ATOM 395 C ASP A 27 67.750 12.047 4.630 1.00 0.00 C ATOM 396 O ASP A 27 68.365 13.052 4.330 1.00 0.00 O ATOM 397 CB ASP A 27 65.334 12.490 4.088 1.00 0.00 C ATOM 398 CG ASP A 27 64.228 12.187 3.077 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.345 12.633 1.947 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.282 11.511 3.448 1.00 0.00 O ATOM 0 H ASP A 27 65.183 10.184 4.688 1.00 0.00 H new ATOM 0 HA ASP A 27 66.836 11.607 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.968 12.330 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.629 13.537 4.017 1.00 0.00 H new ATOM 405 N MET A 28 68.097 11.323 5.657 1.00 0.00 N ATOM 406 CA MET A 28 69.270 11.721 6.489 1.00 0.00 C ATOM 407 C MET A 28 70.515 11.882 5.613 1.00 0.00 C ATOM 408 O MET A 28 71.443 12.586 5.961 1.00 0.00 O ATOM 409 CB MET A 28 69.461 10.571 7.480 1.00 0.00 C ATOM 410 CG MET A 28 68.360 10.622 8.541 1.00 0.00 C ATOM 411 SD MET A 28 68.600 12.077 9.592 1.00 0.00 S ATOM 412 CE MET A 28 70.022 11.454 10.523 1.00 0.00 C ATOM 0 H MET A 28 67.620 10.473 5.957 1.00 0.00 H new ATOM 0 HA MET A 28 69.111 12.675 6.993 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.431 9.616 6.955 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.440 10.644 7.953 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.381 10.663 8.063 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.381 9.716 9.146 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.851 11.601 11.589 1.00 0.00 H new ATOM 0 HE2 MET A 28 70.153 10.391 10.320 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.919 11.994 10.221 1.00 0.00 H new ATOM 422 N PHE A 29 70.549 11.230 4.482 1.00 0.00 N ATOM 423 CA PHE A 29 71.744 11.343 3.593 1.00 0.00 C ATOM 424 C PHE A 29 71.336 11.876 2.215 1.00 0.00 C ATOM 425 O PHE A 29 72.066 11.748 1.252 1.00 0.00 O ATOM 426 CB PHE A 29 72.295 9.917 3.470 1.00 0.00 C ATOM 427 CG PHE A 29 72.183 9.205 4.797 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.015 8.503 5.114 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.242 9.253 5.712 1.00 0.00 C ATOM 430 CE1 PHE A 29 70.904 7.847 6.345 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.131 8.597 6.943 1.00 0.00 C ATOM 432 CZ PHE A 29 71.963 7.893 7.260 1.00 0.00 C ATOM 0 H PHE A 29 69.804 10.626 4.135 1.00 0.00 H new ATOM 0 HA PHE A 29 72.486 12.033 3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.743 9.369 2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.337 9.947 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.198 8.467 4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.143 9.796 5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.002 7.306 6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 29 73.947 8.634 7.649 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.879 7.386 8.210 1.00 0.00 H new ATOM 442 N ASP A 30 70.180 12.471 2.112 1.00 0.00 N ATOM 443 CA ASP A 30 69.734 13.005 0.793 1.00 0.00 C ATOM 444 C ASP A 30 70.113 14.483 0.661 1.00 0.00 C ATOM 445 O ASP A 30 69.298 15.315 0.312 1.00 0.00 O ATOM 446 CB ASP A 30 68.214 12.837 0.788 1.00 0.00 C ATOM 447 CG ASP A 30 67.577 13.880 1.709 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.302 14.481 2.483 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.372 14.059 1.625 1.00 0.00 O ATOM 0 H ASP A 30 69.526 12.611 2.882 1.00 0.00 H new ATOM 0 HA ASP A 30 70.203 12.483 -0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.829 12.949 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.948 11.833 1.120 1.00 0.00 H new ATOM 490 N GLY A 35 65.916 12.317 -3.010 1.00 0.00 N ATOM 491 CA GLY A 35 65.137 11.049 -2.943 1.00 0.00 C ATOM 492 C GLY A 35 66.080 9.855 -3.105 1.00 0.00 C ATOM 493 O GLY A 35 65.673 8.715 -3.020 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.612 10.983 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.379 11.035 -3.726 1.00 0.00 H new ATOM 497 N ASP A 36 67.340 10.108 -3.338 1.00 0.00 N ATOM 498 CA ASP A 36 68.306 8.982 -3.505 1.00 0.00 C ATOM 499 C ASP A 36 69.717 9.435 -3.117 1.00 0.00 C ATOM 500 O ASP A 36 70.178 10.481 -3.527 1.00 0.00 O ATOM 501 CB ASP A 36 68.246 8.626 -4.991 1.00 0.00 C ATOM 502 CG ASP A 36 68.314 9.905 -5.827 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.667 10.933 -5.273 1.00 0.00 O ATOM 504 OD2 ASP A 36 68.011 9.835 -7.007 1.00 0.00 O ATOM 0 H ASP A 36 67.742 11.042 -3.420 1.00 0.00 H new ATOM 0 HA ASP A 36 68.061 8.129 -2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.073 7.965 -5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.325 8.085 -5.209 1.00 0.00 H new ATOM 509 N ILE A 37 70.405 8.655 -2.329 1.00 0.00 N ATOM 510 CA ILE A 37 71.785 9.044 -1.916 1.00 0.00 C ATOM 511 C ILE A 37 72.821 8.227 -2.694 1.00 0.00 C ATOM 512 O ILE A 37 72.491 7.288 -3.389 1.00 0.00 O ATOM 513 CB ILE A 37 71.862 8.717 -0.424 1.00 0.00 C ATOM 514 CG1 ILE A 37 70.590 9.207 0.273 1.00 0.00 C ATOM 515 CG2 ILE A 37 73.078 9.417 0.187 1.00 0.00 C ATOM 516 CD1 ILE A 37 69.832 8.011 0.851 1.00 0.00 C ATOM 0 H ILE A 37 70.073 7.767 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 37 71.992 10.096 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 37 71.956 7.639 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.845 9.908 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 37 69.958 9.744 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 37 73.135 9.185 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 37 73.985 9.070 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 37 72.982 10.495 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 37 68.926 8.360 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 37 69.564 7.326 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.465 7.493 1.572 1.00 0.00 H new ATOM 528 N SER A 38 74.073 8.578 -2.578 1.00 0.00 N ATOM 529 CA SER A 38 75.129 7.820 -3.309 1.00 0.00 C ATOM 530 C SER A 38 75.047 6.333 -2.953 1.00 0.00 C ATOM 531 O SER A 38 74.980 5.966 -1.796 1.00 0.00 O ATOM 532 CB SER A 38 76.450 8.416 -2.824 1.00 0.00 C ATOM 533 OG SER A 38 77.478 8.094 -3.751 1.00 0.00 O ATOM 0 H SER A 38 74.410 9.355 -2.010 1.00 0.00 H new ATOM 0 HA SER A 38 75.022 7.896 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.360 9.498 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.698 8.025 -1.837 1.00 0.00 H new ATOM 0 HG SER A 38 78.327 8.476 -3.444 1.00 0.00 H new ATOM 539 N THR A 39 75.050 5.477 -3.936 1.00 0.00 N ATOM 540 CA THR A 39 74.969 4.015 -3.652 1.00 0.00 C ATOM 541 C THR A 39 75.903 3.645 -2.496 1.00 0.00 C ATOM 542 O THR A 39 75.673 2.689 -1.782 1.00 0.00 O ATOM 543 CB THR A 39 75.422 3.336 -4.946 1.00 0.00 C ATOM 544 OG1 THR A 39 76.674 3.874 -5.348 1.00 0.00 O ATOM 545 CG2 THR A 39 74.383 3.580 -6.041 1.00 0.00 C ATOM 0 H THR A 39 75.105 5.725 -4.924 1.00 0.00 H new ATOM 0 HA THR A 39 73.966 3.707 -3.358 1.00 0.00 H new ATOM 0 HB THR A 39 75.525 2.264 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.891 3.560 -6.251 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.706 3.096 -6.963 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.423 3.166 -5.731 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.278 4.652 -6.211 1.00 0.00 H new ATOM 553 N LYS A 40 76.954 4.394 -2.303 1.00 0.00 N ATOM 554 CA LYS A 40 77.899 4.083 -1.192 1.00 0.00 C ATOM 555 C LYS A 40 77.249 4.397 0.159 1.00 0.00 C ATOM 556 O LYS A 40 77.752 4.027 1.202 1.00 0.00 O ATOM 557 CB LYS A 40 79.105 4.992 -1.430 1.00 0.00 C ATOM 558 CG LYS A 40 80.282 4.157 -1.939 1.00 0.00 C ATOM 559 CD LYS A 40 80.860 3.336 -0.785 1.00 0.00 C ATOM 560 CE LYS A 40 82.374 3.194 -0.967 1.00 0.00 C ATOM 561 NZ LYS A 40 82.883 2.767 0.365 1.00 0.00 N ATOM 0 H LYS A 40 77.200 5.208 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 40 78.180 3.030 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.853 5.765 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.379 5.500 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 40 79.953 3.496 -2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 40 81.050 4.808 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.641 3.822 0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.393 2.352 -0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.612 2.458 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.824 4.137 -1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.915 2.649 0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.648 3.490 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.442 1.864 0.632 1.00 0.00 H new ATOM 575 N GLU A 41 76.137 5.077 0.148 1.00 0.00 N ATOM 576 CA GLU A 41 75.455 5.415 1.430 1.00 0.00 C ATOM 577 C GLU A 41 74.251 4.495 1.648 1.00 0.00 C ATOM 578 O GLU A 41 73.784 4.320 2.756 1.00 0.00 O ATOM 579 CB GLU A 41 75.000 6.865 1.264 1.00 0.00 C ATOM 580 CG GLU A 41 74.587 7.432 2.623 1.00 0.00 C ATOM 581 CD GLU A 41 75.664 8.396 3.124 1.00 0.00 C ATOM 582 OE1 GLU A 41 75.882 9.402 2.469 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.252 8.112 4.154 1.00 0.00 O ATOM 0 H GLU A 41 75.670 5.414 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 41 76.109 5.289 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.806 7.463 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.163 6.917 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.632 7.950 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.447 6.622 3.339 1.00 0.00 H new ATOM 590 N LEU A 42 73.746 3.906 0.599 1.00 0.00 N ATOM 591 CA LEU A 42 72.572 2.998 0.747 1.00 0.00 C ATOM 592 C LEU A 42 72.756 2.092 1.968 1.00 0.00 C ATOM 593 O LEU A 42 71.823 1.819 2.696 1.00 0.00 O ATOM 594 CB LEU A 42 72.548 2.170 -0.538 1.00 0.00 C ATOM 595 CG LEU A 42 71.326 1.252 -0.532 1.00 0.00 C ATOM 596 CD1 LEU A 42 70.770 1.133 -1.952 1.00 0.00 C ATOM 597 CD2 LEU A 42 71.733 -0.134 -0.027 1.00 0.00 C ATOM 0 H LEU A 42 74.095 4.014 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 42 71.641 3.545 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.517 2.828 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.460 1.578 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 42 70.562 1.669 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 42 69.899 0.478 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.481 2.120 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.534 0.716 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.862 -0.790 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.497 -0.550 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.130 -0.051 0.985 1.00 0.00 H new ATOM 609 N GLY A 43 73.953 1.626 2.197 1.00 0.00 N ATOM 610 CA GLY A 43 74.196 0.740 3.372 1.00 0.00 C ATOM 611 C GLY A 43 73.920 1.516 4.661 1.00 0.00 C ATOM 612 O GLY A 43 73.287 1.022 5.572 1.00 0.00 O ATOM 0 H GLY A 43 74.773 1.820 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.552 -0.138 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.225 0.381 3.364 1.00 0.00 H new ATOM 616 N THR A 44 74.391 2.730 4.744 1.00 0.00 N ATOM 617 CA THR A 44 74.157 3.541 5.974 1.00 0.00 C ATOM 618 C THR A 44 72.655 3.673 6.244 1.00 0.00 C ATOM 619 O THR A 44 72.174 3.341 7.307 1.00 0.00 O ATOM 620 CB THR A 44 74.776 4.910 5.663 1.00 0.00 C ATOM 621 OG1 THR A 44 76.170 4.866 5.930 1.00 0.00 O ATOM 622 CG2 THR A 44 74.124 5.991 6.529 1.00 0.00 C ATOM 0 H THR A 44 74.928 3.196 4.013 1.00 0.00 H new ATOM 0 HA THR A 44 74.596 3.087 6.863 1.00 0.00 H new ATOM 0 HB THR A 44 74.609 5.148 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.569 5.739 5.731 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.571 6.959 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.054 6.027 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.282 5.758 7.582 1.00 0.00 H new ATOM 630 N VAL A 45 71.914 4.163 5.292 1.00 0.00 N ATOM 631 CA VAL A 45 70.447 4.328 5.494 1.00 0.00 C ATOM 632 C VAL A 45 69.822 3.027 6.015 1.00 0.00 C ATOM 633 O VAL A 45 69.276 2.982 7.099 1.00 0.00 O ATOM 634 CB VAL A 45 69.900 4.671 4.112 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.389 4.885 4.200 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.568 5.951 3.603 1.00 0.00 C ATOM 0 H VAL A 45 72.261 4.458 4.379 1.00 0.00 H new ATOM 0 HA VAL A 45 70.218 5.098 6.231 1.00 0.00 H new ATOM 0 HB VAL A 45 70.111 3.852 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 45 67.998 5.130 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 45 67.913 3.974 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.177 5.704 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 45 70.178 6.197 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 45 70.357 6.770 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.645 5.799 3.540 1.00 0.00 H new ATOM 646 N MET A 46 69.891 1.972 5.249 1.00 0.00 N ATOM 647 CA MET A 46 69.290 0.681 5.698 1.00 0.00 C ATOM 648 C MET A 46 69.953 0.198 6.993 1.00 0.00 C ATOM 649 O MET A 46 69.307 -0.356 7.861 1.00 0.00 O ATOM 650 CB MET A 46 69.563 -0.301 4.559 1.00 0.00 C ATOM 651 CG MET A 46 71.072 -0.474 4.381 1.00 0.00 C ATOM 652 SD MET A 46 71.402 -1.343 2.827 1.00 0.00 S ATOM 653 CE MET A 46 70.105 -2.596 2.988 1.00 0.00 C ATOM 0 H MET A 46 70.337 1.947 4.332 1.00 0.00 H new ATOM 0 HA MET A 46 68.225 0.779 5.909 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.100 -1.263 4.776 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.117 0.066 3.634 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.562 0.500 4.377 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.486 -1.035 5.219 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.204 -3.328 2.186 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.201 -3.098 3.951 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.127 -2.118 2.924 1.00 0.00 H new ATOM 663 N ARG A 47 71.235 0.396 7.131 1.00 0.00 N ATOM 664 CA ARG A 47 71.930 -0.059 8.371 1.00 0.00 C ATOM 665 C ARG A 47 71.591 0.866 9.545 1.00 0.00 C ATOM 666 O ARG A 47 71.342 0.420 10.648 1.00 0.00 O ATOM 667 CB ARG A 47 73.421 0.020 8.039 1.00 0.00 C ATOM 668 CG ARG A 47 74.236 -0.513 9.220 1.00 0.00 C ATOM 669 CD ARG A 47 74.413 0.595 10.261 1.00 0.00 C ATOM 670 NE ARG A 47 75.631 0.211 11.029 1.00 0.00 N ATOM 671 CZ ARG A 47 75.953 0.864 12.112 1.00 0.00 C ATOM 672 NH1 ARG A 47 75.400 0.551 13.251 1.00 0.00 N ATOM 673 NH2 ARG A 47 76.829 1.829 12.054 1.00 0.00 N ATOM 0 H ARG A 47 71.832 0.852 6.441 1.00 0.00 H new ATOM 0 HA ARG A 47 71.629 -1.064 8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.636 -0.562 7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.703 1.051 7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.731 -1.369 9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.210 -0.862 8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 47 74.537 1.568 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 47 73.542 0.667 10.912 1.00 0.00 H new ATOM 0 HE ARG A 47 76.213 -0.563 10.708 1.00 0.00 H new ATOM 0 HH11 ARG A 47 74.716 -0.204 13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 47 75.652 1.061 14.097 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.261 2.072 11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.081 2.340 12.900 1.00 0.00 H new ATOM 687 N MET A 48 71.585 2.150 9.316 1.00 0.00 N ATOM 688 CA MET A 48 71.268 3.108 10.416 1.00 0.00 C ATOM 689 C MET A 48 69.791 3.006 10.806 1.00 0.00 C ATOM 690 O MET A 48 69.352 3.603 11.768 1.00 0.00 O ATOM 691 CB MET A 48 71.573 4.488 9.833 1.00 0.00 C ATOM 692 CG MET A 48 71.507 5.539 10.943 1.00 0.00 C ATOM 693 SD MET A 48 73.087 5.588 11.823 1.00 0.00 S ATOM 694 CE MET A 48 72.776 7.104 12.761 1.00 0.00 C ATOM 0 H MET A 48 71.786 2.580 8.413 1.00 0.00 H new ATOM 0 HA MET A 48 71.845 2.905 11.318 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.562 4.490 9.375 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.857 4.729 9.047 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.285 6.518 10.519 1.00 0.00 H new ATOM 0 HG3 MET A 48 70.700 5.301 11.636 1.00 0.00 H new ATOM 0 HE1 MET A 48 73.640 7.329 13.386 1.00 0.00 H new ATOM 0 HE2 MET A 48 72.603 7.930 12.071 1.00 0.00 H new ATOM 0 HE3 MET A 48 71.897 6.968 13.392 1.00 0.00 H new ATOM 704 N LEU A 49 69.020 2.256 10.067 1.00 0.00 N ATOM 705 CA LEU A 49 67.572 2.123 10.399 1.00 0.00 C ATOM 706 C LEU A 49 67.368 1.038 11.460 1.00 0.00 C ATOM 707 O LEU A 49 66.405 1.054 12.199 1.00 0.00 O ATOM 708 CB LEU A 49 66.899 1.724 9.087 1.00 0.00 C ATOM 709 CG LEU A 49 66.600 2.979 8.265 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.377 2.591 6.803 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.341 3.657 8.810 1.00 0.00 C ATOM 0 H LEU A 49 69.329 1.730 9.249 1.00 0.00 H new ATOM 0 HA LEU A 49 67.156 3.045 10.806 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.547 1.053 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.976 1.181 9.290 1.00 0.00 H new ATOM 0 HG LEU A 49 67.443 3.667 8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.164 3.485 6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.273 2.108 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.535 1.903 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.127 4.551 8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.499 2.969 8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.499 3.934 9.852 1.00 0.00 H new ATOM 723 N GLY A 50 68.266 0.094 11.541 1.00 0.00 N ATOM 724 CA GLY A 50 68.119 -0.987 12.556 1.00 0.00 C ATOM 725 C GLY A 50 68.639 -2.307 11.980 1.00 0.00 C ATOM 726 O GLY A 50 68.823 -3.275 12.693 1.00 0.00 O ATOM 0 H GLY A 50 69.094 0.025 10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.673 -0.730 13.459 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.072 -1.091 12.842 1.00 0.00 H new ATOM 730 N GLN A 51 68.877 -2.356 10.699 1.00 0.00 N ATOM 731 CA GLN A 51 69.385 -3.616 10.084 1.00 0.00 C ATOM 732 C GLN A 51 70.916 -3.614 10.062 1.00 0.00 C ATOM 733 O GLN A 51 71.555 -2.796 10.695 1.00 0.00 O ATOM 734 CB GLN A 51 68.831 -3.622 8.659 1.00 0.00 C ATOM 735 CG GLN A 51 67.345 -3.264 8.685 1.00 0.00 C ATOM 736 CD GLN A 51 67.097 -2.042 7.798 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.502 -1.075 8.229 1.00 0.00 O ATOM 738 NE2 GLN A 51 67.532 -2.047 6.568 1.00 0.00 N ATOM 0 H GLN A 51 68.742 -1.580 10.051 1.00 0.00 H new ATOM 0 HA GLN A 51 69.074 -4.498 10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.377 -2.907 8.043 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.971 -4.604 8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.751 -4.108 8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.029 -3.055 9.707 1.00 0.00 H new ATOM 0 HE21 GLN A 51 68.032 -2.860 6.207 1.00 0.00 H new ATOM 0 HE22 GLN A 51 67.372 -1.238 5.967 1.00 0.00 H new ATOM 747 N ASN A 52 71.508 -4.522 9.337 1.00 0.00 N ATOM 748 CA ASN A 52 72.997 -4.573 9.273 1.00 0.00 C ATOM 749 C ASN A 52 73.446 -5.347 8.030 1.00 0.00 C ATOM 750 O ASN A 52 73.721 -6.528 8.101 1.00 0.00 O ATOM 751 CB ASN A 52 73.421 -5.307 10.545 1.00 0.00 C ATOM 752 CG ASN A 52 74.761 -4.754 11.032 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.246 -3.764 10.522 1.00 0.00 O ATOM 754 ND2 ASN A 52 75.385 -5.357 12.007 1.00 0.00 N ATOM 0 H ASN A 52 71.026 -5.232 8.786 1.00 0.00 H new ATOM 0 HA ASN A 52 73.443 -3.581 9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.663 -5.184 11.318 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.506 -6.376 10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 52 76.279 -4.997 12.340 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.978 -6.188 12.436 1.00 0.00 H new ATOM 761 N PRO A 53 73.507 -4.648 6.929 1.00 0.00 N ATOM 762 CA PRO A 53 73.929 -5.276 5.653 1.00 0.00 C ATOM 763 C PRO A 53 75.434 -5.557 5.670 1.00 0.00 C ATOM 764 O PRO A 53 76.236 -4.680 5.923 1.00 0.00 O ATOM 765 CB PRO A 53 73.585 -4.222 4.605 1.00 0.00 C ATOM 766 CG PRO A 53 73.588 -2.923 5.345 1.00 0.00 C ATOM 767 CD PRO A 53 73.193 -3.225 6.769 1.00 0.00 C ATOM 0 HA PRO A 53 73.443 -6.233 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.316 -4.217 3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.612 -4.417 4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.574 -2.461 5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.889 -2.220 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.750 -2.611 7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.135 -3.028 6.940 1.00 0.00 H new ATOM 775 N THR A 54 75.823 -6.773 5.402 1.00 0.00 N ATOM 776 CA THR A 54 77.276 -7.106 5.404 1.00 0.00 C ATOM 777 C THR A 54 78.002 -6.302 4.322 1.00 0.00 C ATOM 778 O THR A 54 77.478 -6.073 3.249 1.00 0.00 O ATOM 779 CB THR A 54 77.340 -8.602 5.093 1.00 0.00 C ATOM 780 OG1 THR A 54 76.184 -8.981 4.359 1.00 0.00 O ATOM 781 CG2 THR A 54 77.399 -9.394 6.401 1.00 0.00 C ATOM 0 H THR A 54 75.199 -7.549 5.182 1.00 0.00 H new ATOM 0 HA THR A 54 77.754 -6.867 6.354 1.00 0.00 H new ATOM 0 HB THR A 54 78.231 -8.814 4.502 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.224 -9.939 4.157 1.00 0.00 H new ATOM 0 HG21 THR A 54 77.445 -10.460 6.179 1.00 0.00 H new ATOM 0 HG22 THR A 54 78.286 -9.102 6.963 1.00 0.00 H new ATOM 0 HG23 THR A 54 76.508 -9.185 6.994 1.00 0.00 H new ATOM 789 N LYS A 55 79.204 -5.873 4.594 1.00 0.00 N ATOM 790 CA LYS A 55 79.962 -5.085 3.580 1.00 0.00 C ATOM 791 C LYS A 55 79.796 -5.712 2.193 1.00 0.00 C ATOM 792 O LYS A 55 79.398 -5.060 1.250 1.00 0.00 O ATOM 793 CB LYS A 55 81.420 -5.156 4.030 1.00 0.00 C ATOM 794 CG LYS A 55 82.182 -3.946 3.484 1.00 0.00 C ATOM 795 CD LYS A 55 82.932 -3.256 4.624 1.00 0.00 C ATOM 796 CE LYS A 55 84.352 -2.915 4.171 1.00 0.00 C ATOM 797 NZ LYS A 55 85.206 -3.995 4.737 1.00 0.00 N ATOM 0 H LYS A 55 79.694 -6.034 5.474 1.00 0.00 H new ATOM 0 HA LYS A 55 79.609 -4.056 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.475 -5.173 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.877 -6.079 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.884 -4.263 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.488 -3.247 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.407 -2.349 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 55 82.965 -3.907 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.423 -2.885 3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.659 -1.936 4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.197 -3.830 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.123 -3.995 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.895 -4.915 4.365 1.00 0.00 H new ATOM 811 N GLU A 56 80.097 -6.975 2.064 1.00 0.00 N ATOM 812 CA GLU A 56 79.954 -7.643 0.739 1.00 0.00 C ATOM 813 C GLU A 56 78.601 -7.287 0.116 1.00 0.00 C ATOM 814 O GLU A 56 78.527 -6.807 -0.998 1.00 0.00 O ATOM 815 CB GLU A 56 80.030 -9.140 1.037 1.00 0.00 C ATOM 816 CG GLU A 56 80.395 -9.898 -0.241 1.00 0.00 C ATOM 817 CD GLU A 56 81.388 -11.012 0.092 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.942 -12.108 0.388 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.579 -10.751 0.047 1.00 0.00 O ATOM 0 H GLU A 56 80.435 -7.573 2.818 1.00 0.00 H new ATOM 0 HA GLU A 56 80.724 -7.331 0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.774 -9.330 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.073 -9.494 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 56 79.498 -10.320 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.830 -9.214 -0.970 1.00 0.00 H new ATOM 826 N GLU A 57 77.531 -7.517 0.827 1.00 0.00 N ATOM 827 CA GLU A 57 76.186 -7.189 0.275 1.00 0.00 C ATOM 828 C GLU A 57 76.180 -5.762 -0.280 1.00 0.00 C ATOM 829 O GLU A 57 75.922 -5.541 -1.446 1.00 0.00 O ATOM 830 CB GLU A 57 75.229 -7.309 1.461 1.00 0.00 C ATOM 831 CG GLU A 57 75.108 -8.777 1.875 1.00 0.00 C ATOM 832 CD GLU A 57 74.188 -9.509 0.895 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.138 -8.971 0.584 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.549 -10.594 0.472 1.00 0.00 O ATOM 0 H GLU A 57 77.530 -7.917 1.765 1.00 0.00 H new ATOM 0 HA GLU A 57 75.901 -7.850 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.594 -6.713 2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.249 -6.914 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 57 76.092 -9.245 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.710 -8.849 2.887 1.00 0.00 H new ATOM 841 N LEU A 58 76.464 -4.793 0.545 1.00 0.00 N ATOM 842 CA LEU A 58 76.476 -3.383 0.061 1.00 0.00 C ATOM 843 C LEU A 58 77.203 -3.297 -1.283 1.00 0.00 C ATOM 844 O LEU A 58 76.672 -2.802 -2.258 1.00 0.00 O ATOM 845 CB LEU A 58 77.234 -2.596 1.133 1.00 0.00 C ATOM 846 CG LEU A 58 76.537 -2.762 2.486 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.087 -1.731 3.473 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.031 -2.548 2.316 1.00 0.00 C ATOM 0 H LEU A 58 76.688 -4.916 1.532 1.00 0.00 H new ATOM 0 HA LEU A 58 75.471 -2.991 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.263 -2.950 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.276 -1.541 0.862 1.00 0.00 H new ATOM 0 HG LEU A 58 76.721 -3.767 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.591 -1.849 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.160 -1.881 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.903 -0.727 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.536 -2.666 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.847 -1.544 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.636 -3.281 1.613 1.00 0.00 H new ATOM 860 N ASP A 59 78.414 -3.779 -1.346 1.00 0.00 N ATOM 861 CA ASP A 59 79.171 -3.728 -2.629 1.00 0.00 C ATOM 862 C ASP A 59 78.407 -4.480 -3.721 1.00 0.00 C ATOM 863 O ASP A 59 78.552 -4.205 -4.896 1.00 0.00 O ATOM 864 CB ASP A 59 80.504 -4.417 -2.333 1.00 0.00 C ATOM 865 CG ASP A 59 81.644 -3.406 -2.465 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.795 -2.594 -1.567 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.346 -3.460 -3.462 1.00 0.00 O ATOM 0 H ASP A 59 78.912 -4.206 -0.565 1.00 0.00 H new ATOM 0 HA ASP A 59 79.313 -2.708 -2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.492 -4.838 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.658 -5.246 -3.024 1.00 0.00 H new ATOM 872 N ALA A 60 77.593 -5.427 -3.344 1.00 0.00 N ATOM 873 CA ALA A 60 76.819 -6.194 -4.362 1.00 0.00 C ATOM 874 C ALA A 60 75.621 -5.372 -4.842 1.00 0.00 C ATOM 875 O ALA A 60 75.409 -5.201 -6.026 1.00 0.00 O ATOM 876 CB ALA A 60 76.350 -7.459 -3.641 1.00 0.00 C ATOM 0 H ALA A 60 77.430 -5.703 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 60 77.417 -6.429 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.771 -8.076 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.216 -8.020 -3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.728 -7.183 -2.790 1.00 0.00 H new ATOM 882 N ILE A 61 74.836 -4.857 -3.934 1.00 0.00 N ATOM 883 CA ILE A 61 73.657 -4.043 -4.350 1.00 0.00 C ATOM 884 C ILE A 61 74.126 -2.775 -5.069 1.00 0.00 C ATOM 885 O ILE A 61 73.682 -2.468 -6.157 1.00 0.00 O ATOM 886 CB ILE A 61 72.932 -3.696 -3.047 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.109 -4.903 -2.589 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.997 -2.507 -3.279 1.00 0.00 C ATOM 889 CD1 ILE A 61 73.050 -6.008 -2.106 1.00 0.00 C ATOM 0 H ILE A 61 74.959 -4.964 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 61 73.005 -4.576 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 61 73.665 -3.437 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.431 -4.611 -1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 61 71.492 -5.269 -3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.482 -2.262 -2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.578 -1.646 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.264 -2.765 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.465 -6.868 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.709 -6.306 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 61 73.647 -5.639 -1.273 1.00 0.00 H new ATOM 901 N ILE A 62 75.024 -2.038 -4.473 1.00 0.00 N ATOM 902 CA ILE A 62 75.519 -0.795 -5.131 1.00 0.00 C ATOM 903 C ILE A 62 75.819 -1.072 -6.605 1.00 0.00 C ATOM 904 O ILE A 62 75.110 -0.629 -7.485 1.00 0.00 O ATOM 905 CB ILE A 62 76.800 -0.427 -4.384 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.456 -0.021 -2.948 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.483 0.743 -5.094 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.719 -0.065 -2.087 1.00 0.00 C ATOM 0 H ILE A 62 75.435 -2.242 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 62 74.787 0.012 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 62 77.471 -1.286 -4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.029 0.982 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.702 -0.694 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.397 1.007 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.728 0.455 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.811 1.601 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.473 0.224 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.126 -1.076 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.459 0.626 -2.491 1.00 0.00 H new ATOM 920 N GLU A 63 76.862 -1.806 -6.882 1.00 0.00 N ATOM 921 CA GLU A 63 77.198 -2.112 -8.301 1.00 0.00 C ATOM 922 C GLU A 63 75.932 -2.521 -9.057 1.00 0.00 C ATOM 923 O GLU A 63 75.721 -2.139 -10.191 1.00 0.00 O ATOM 924 CB GLU A 63 78.184 -3.279 -8.235 1.00 0.00 C ATOM 925 CG GLU A 63 79.187 -3.166 -9.384 1.00 0.00 C ATOM 926 CD GLU A 63 80.320 -2.220 -8.981 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.509 -2.027 -7.791 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.981 -1.707 -9.869 1.00 0.00 O ATOM 0 H GLU A 63 77.494 -2.206 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 63 77.622 -1.254 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.708 -3.273 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.648 -4.226 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 63 79.589 -4.149 -9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.690 -2.794 -10.280 1.00 0.00 H new ATOM 935 N GLU A 64 75.085 -3.291 -8.432 1.00 0.00 N ATOM 936 CA GLU A 64 73.827 -3.722 -9.106 1.00 0.00 C ATOM 937 C GLU A 64 72.938 -2.506 -9.377 1.00 0.00 C ATOM 938 O GLU A 64 72.380 -2.356 -10.446 1.00 0.00 O ATOM 939 CB GLU A 64 73.158 -4.679 -8.113 1.00 0.00 C ATOM 940 CG GLU A 64 71.661 -4.780 -8.416 1.00 0.00 C ATOM 941 CD GLU A 64 71.464 -5.204 -9.873 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.696 -6.365 -10.169 1.00 0.00 O ATOM 943 OE2 GLU A 64 71.086 -4.360 -10.669 1.00 0.00 O ATOM 0 H GLU A 64 75.209 -3.641 -7.482 1.00 0.00 H new ATOM 0 HA GLU A 64 74.008 -4.201 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.619 -5.665 -8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.309 -4.323 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.192 -5.503 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.177 -3.820 -8.237 1.00 0.00 H new ATOM 950 N VAL A 65 72.800 -1.636 -8.414 1.00 0.00 N ATOM 951 CA VAL A 65 71.948 -0.430 -8.615 1.00 0.00 C ATOM 952 C VAL A 65 72.802 0.745 -9.100 1.00 0.00 C ATOM 953 O VAL A 65 72.325 1.852 -9.250 1.00 0.00 O ATOM 954 CB VAL A 65 71.358 -0.130 -7.237 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.719 -1.397 -6.665 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.471 0.345 -6.301 1.00 0.00 C ATOM 0 H VAL A 65 73.240 -1.708 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 65 71.173 -0.591 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 65 70.600 0.648 -7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.299 -1.181 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.927 -1.738 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.476 -2.176 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.053 0.560 -5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.228 -0.434 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.927 1.248 -6.706 1.00 0.00 H new ATOM 966 N ASP A 66 74.062 0.512 -9.346 1.00 0.00 N ATOM 967 CA ASP A 66 74.948 1.614 -9.820 1.00 0.00 C ATOM 968 C ASP A 66 75.139 1.522 -11.337 1.00 0.00 C ATOM 969 O ASP A 66 75.046 2.505 -12.046 1.00 0.00 O ATOM 970 CB ASP A 66 76.276 1.394 -9.097 1.00 0.00 C ATOM 971 CG ASP A 66 77.312 2.392 -9.617 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.815 2.179 -10.707 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.584 3.353 -8.916 1.00 0.00 O ATOM 0 H ASP A 66 74.517 -0.395 -9.239 1.00 0.00 H new ATOM 0 HA ASP A 66 74.530 2.599 -9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.142 1.519 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.625 0.374 -9.258 1.00 0.00 H new ATOM 1030 N THR A 72 73.132 7.006 -7.596 1.00 0.00 N ATOM 1031 CA THR A 72 72.445 6.887 -6.276 1.00 0.00 C ATOM 1032 C THR A 72 71.286 5.893 -6.372 1.00 0.00 C ATOM 1033 O THR A 72 70.891 5.486 -7.447 1.00 0.00 O ATOM 1034 CB THR A 72 71.922 8.291 -5.969 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.006 8.686 -6.981 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.091 9.277 -5.924 1.00 0.00 C ATOM 0 HA THR A 72 73.113 6.523 -5.496 1.00 0.00 H new ATOM 0 HB THR A 72 71.417 8.286 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.343 8.402 -7.856 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.716 10.277 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.792 8.974 -5.146 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.599 9.283 -6.888 1.00 0.00 H new ATOM 1044 N ILE A 73 70.735 5.498 -5.256 1.00 0.00 N ATOM 1045 CA ILE A 73 69.602 4.530 -5.284 1.00 0.00 C ATOM 1046 C ILE A 73 68.278 5.259 -5.038 1.00 0.00 C ATOM 1047 O ILE A 73 68.198 6.166 -4.235 1.00 0.00 O ATOM 1048 CB ILE A 73 69.893 3.547 -4.151 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.978 2.327 -4.288 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.637 4.227 -2.805 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.734 1.201 -4.997 1.00 0.00 C ATOM 0 H ILE A 73 71.021 5.804 -4.326 1.00 0.00 H new ATOM 0 HA ILE A 73 69.512 4.026 -6.246 1.00 0.00 H new ATOM 0 HB ILE A 73 70.934 3.230 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.647 1.994 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.084 2.591 -4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 73 69.845 3.525 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.288 5.096 -2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.596 4.545 -2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.084 0.332 -5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 73 70.043 1.537 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.615 0.931 -4.415 1.00 0.00 H new ATOM 1063 N ASP A 74 67.237 4.868 -5.723 1.00 0.00 N ATOM 1064 CA ASP A 74 65.920 5.539 -5.527 1.00 0.00 C ATOM 1065 C ASP A 74 65.200 4.947 -4.313 1.00 0.00 C ATOM 1066 O ASP A 74 65.223 3.753 -4.086 1.00 0.00 O ATOM 1067 CB ASP A 74 65.135 5.253 -6.808 1.00 0.00 C ATOM 1068 CG ASP A 74 65.420 6.349 -7.836 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.553 7.493 -7.432 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.500 6.026 -9.010 1.00 0.00 O ATOM 0 H ASP A 74 67.242 4.113 -6.409 1.00 0.00 H new ATOM 0 HA ASP A 74 66.025 6.608 -5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.417 4.280 -7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.068 5.211 -6.591 1.00 0.00 H new ATOM 1075 N PHE A 75 64.557 5.772 -3.532 1.00 0.00 N ATOM 1076 CA PHE A 75 63.836 5.252 -2.335 1.00 0.00 C ATOM 1077 C PHE A 75 62.918 4.093 -2.734 1.00 0.00 C ATOM 1078 O PHE A 75 62.954 3.030 -2.147 1.00 0.00 O ATOM 1079 CB PHE A 75 63.015 6.434 -1.821 1.00 0.00 C ATOM 1080 CG PHE A 75 62.358 6.059 -0.514 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.268 5.180 -0.505 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.841 6.587 0.689 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.661 4.830 0.705 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.233 6.236 1.901 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.144 5.357 1.909 1.00 0.00 C ATOM 0 H PHE A 75 64.500 6.781 -3.670 1.00 0.00 H new ATOM 0 HA PHE A 75 64.518 4.870 -1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.657 7.304 -1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.258 6.711 -2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.896 4.772 -1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.682 7.265 0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.819 4.153 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.605 6.644 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.676 5.085 2.844 1.00 0.00 H new ATOM 1095 N GLU A 76 62.097 4.288 -3.730 1.00 0.00 N ATOM 1096 CA GLU A 76 61.182 3.194 -4.164 1.00 0.00 C ATOM 1097 C GLU A 76 61.984 1.920 -4.443 1.00 0.00 C ATOM 1098 O GLU A 76 61.602 0.836 -4.051 1.00 0.00 O ATOM 1099 CB GLU A 76 60.526 3.708 -5.447 1.00 0.00 C ATOM 1100 CG GLU A 76 61.609 4.062 -6.467 1.00 0.00 C ATOM 1101 CD GLU A 76 60.972 4.772 -7.662 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.796 5.086 -7.582 1.00 0.00 O ATOM 1103 OE2 GLU A 76 61.671 4.990 -8.638 1.00 0.00 O ATOM 0 H GLU A 76 62.020 5.156 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 76 60.442 2.946 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.860 2.949 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.915 4.584 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.360 4.704 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.121 3.158 -6.798 1.00 0.00 H new ATOM 1110 N GLU A 77 63.097 2.044 -5.115 1.00 0.00 N ATOM 1111 CA GLU A 77 63.925 0.841 -5.412 1.00 0.00 C ATOM 1112 C GLU A 77 64.785 0.483 -4.198 1.00 0.00 C ATOM 1113 O GLU A 77 65.215 -0.641 -4.038 1.00 0.00 O ATOM 1114 CB GLU A 77 64.805 1.244 -6.595 1.00 0.00 C ATOM 1115 CG GLU A 77 65.811 0.128 -6.886 1.00 0.00 C ATOM 1116 CD GLU A 77 66.329 0.267 -8.319 1.00 0.00 C ATOM 1117 OE1 GLU A 77 66.033 1.274 -8.940 1.00 0.00 O ATOM 1118 OE2 GLU A 77 67.012 -0.637 -8.771 1.00 0.00 O ATOM 0 H GLU A 77 63.468 2.925 -5.470 1.00 0.00 H new ATOM 0 HA GLU A 77 63.316 -0.034 -5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.188 1.430 -7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.330 2.173 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.641 0.180 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.339 -0.845 -6.752 1.00 0.00 H new ATOM 1125 N PHE A 78 65.036 1.433 -3.337 1.00 0.00 N ATOM 1126 CA PHE A 78 65.865 1.147 -2.132 1.00 0.00 C ATOM 1127 C PHE A 78 65.051 0.330 -1.121 1.00 0.00 C ATOM 1128 O PHE A 78 65.585 -0.476 -0.386 1.00 0.00 O ATOM 1129 CB PHE A 78 66.222 2.526 -1.565 1.00 0.00 C ATOM 1130 CG PHE A 78 66.577 2.409 -0.100 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.798 1.840 0.283 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.684 2.869 0.875 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.124 1.731 1.640 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.009 2.761 2.232 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.230 2.192 2.614 1.00 0.00 C ATOM 0 H PHE A 78 64.703 2.394 -3.417 1.00 0.00 H new ATOM 0 HA PHE A 78 66.757 0.564 -2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.061 2.949 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.381 3.208 -1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.488 1.485 -0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.743 3.308 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.065 1.291 1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.319 3.116 2.983 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.482 2.109 3.661 1.00 0.00 H new ATOM 1145 N LEU A 79 63.763 0.533 -1.079 1.00 0.00 N ATOM 1146 CA LEU A 79 62.920 -0.231 -0.117 1.00 0.00 C ATOM 1147 C LEU A 79 63.315 -1.710 -0.129 1.00 0.00 C ATOM 1148 O LEU A 79 63.274 -2.381 0.883 1.00 0.00 O ATOM 1149 CB LEU A 79 61.486 -0.052 -0.617 1.00 0.00 C ATOM 1150 CG LEU A 79 60.906 1.239 -0.039 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.863 1.807 -1.002 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.246 0.940 1.310 1.00 0.00 C ATOM 0 H LEU A 79 63.258 1.194 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 79 63.039 0.120 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.471 -0.015 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.876 -0.904 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 79 61.705 1.967 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.450 2.727 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.332 2.019 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.062 1.080 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.832 1.859 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.447 0.212 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.989 0.535 1.997 1.00 0.00 H new ATOM 1164 N VAL A 80 63.697 -2.224 -1.264 1.00 0.00 N ATOM 1165 CA VAL A 80 64.094 -3.660 -1.332 1.00 0.00 C ATOM 1166 C VAL A 80 65.403 -3.878 -0.570 1.00 0.00 C ATOM 1167 O VAL A 80 65.655 -4.942 -0.042 1.00 0.00 O ATOM 1168 CB VAL A 80 64.282 -3.951 -2.821 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.016 -3.560 -3.583 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.465 -3.139 -3.351 1.00 0.00 C ATOM 0 H VAL A 80 63.752 -1.715 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 80 63.350 -4.318 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 80 64.476 -5.014 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.151 -3.768 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.171 -4.136 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 80 62.821 -2.497 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.601 -3.345 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.269 -2.076 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.369 -3.417 -2.809 1.00 0.00 H new ATOM 1180 N MET A 81 66.238 -2.878 -0.508 1.00 0.00 N ATOM 1181 CA MET A 81 67.530 -3.028 0.222 1.00 0.00 C ATOM 1182 C MET A 81 67.294 -2.957 1.733 1.00 0.00 C ATOM 1183 O MET A 81 67.842 -3.728 2.495 1.00 0.00 O ATOM 1184 CB MET A 81 68.386 -1.850 -0.244 1.00 0.00 C ATOM 1185 CG MET A 81 68.410 -1.811 -1.774 1.00 0.00 C ATOM 1186 SD MET A 81 68.900 -3.433 -2.410 1.00 0.00 S ATOM 1187 CE MET A 81 68.914 -2.992 -4.165 1.00 0.00 C ATOM 0 H MET A 81 66.082 -1.963 -0.931 1.00 0.00 H new ATOM 0 HA MET A 81 68.011 -3.985 0.021 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.983 -0.916 0.148 1.00 0.00 H new ATOM 0 HB3 MET A 81 69.400 -1.947 0.144 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.426 -1.540 -2.157 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.108 -1.047 -2.118 1.00 0.00 H new ATOM 0 HE1 MET A 81 69.588 -3.659 -4.702 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.907 -3.088 -4.572 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.255 -1.963 -4.279 1.00 0.00 H new ATOM 1197 N MET A 82 66.481 -2.035 2.170 1.00 0.00 N ATOM 1198 CA MET A 82 66.209 -1.911 3.635 1.00 0.00 C ATOM 1199 C MET A 82 65.205 -2.972 4.087 1.00 0.00 C ATOM 1200 O MET A 82 65.206 -3.397 5.225 1.00 0.00 O ATOM 1201 CB MET A 82 65.616 -0.512 3.825 1.00 0.00 C ATOM 1202 CG MET A 82 64.524 -0.256 2.783 1.00 0.00 C ATOM 1203 SD MET A 82 63.036 0.362 3.606 1.00 0.00 S ATOM 1204 CE MET A 82 63.780 1.845 4.328 1.00 0.00 C ATOM 0 H MET A 82 65.993 -1.362 1.579 1.00 0.00 H new ATOM 0 HA MET A 82 67.115 -2.055 4.224 1.00 0.00 H new ATOM 0 HB2 MET A 82 65.201 -0.418 4.828 1.00 0.00 H new ATOM 0 HB3 MET A 82 66.400 0.239 3.733 1.00 0.00 H new ATOM 0 HG2 MET A 82 64.872 0.468 2.046 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.298 -1.176 2.244 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.612 1.849 5.405 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.852 1.849 4.128 1.00 0.00 H new ATOM 0 HE3 MET A 82 63.326 2.732 3.886 1.00 0.00 H new ATOM 1214 N VAL A 83 64.341 -3.396 3.209 1.00 0.00 N ATOM 1215 CA VAL A 83 63.329 -4.419 3.594 1.00 0.00 C ATOM 1216 C VAL A 83 63.917 -5.827 3.491 1.00 0.00 C ATOM 1217 O VAL A 83 64.022 -6.535 4.473 1.00 0.00 O ATOM 1218 CB VAL A 83 62.190 -4.229 2.597 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.109 -5.282 2.848 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.598 -2.830 2.777 1.00 0.00 C ATOM 0 H VAL A 83 64.291 -3.079 2.241 1.00 0.00 H new ATOM 0 HA VAL A 83 62.995 -4.304 4.625 1.00 0.00 H new ATOM 0 HB VAL A 83 62.567 -4.340 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.296 -5.146 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.535 -6.278 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.725 -5.174 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.783 -2.686 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.218 -2.724 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.371 -2.082 2.598 1.00 0.00 H new ATOM 1230 N ARG A 84 64.299 -6.242 2.313 1.00 0.00 N ATOM 1231 CA ARG A 84 64.878 -7.608 2.161 1.00 0.00 C ATOM 1232 C ARG A 84 65.852 -7.894 3.307 1.00 0.00 C ATOM 1233 O ARG A 84 66.012 -9.021 3.732 1.00 0.00 O ATOM 1234 CB ARG A 84 65.609 -7.583 0.819 1.00 0.00 C ATOM 1235 CG ARG A 84 64.589 -7.438 -0.313 1.00 0.00 C ATOM 1236 CD ARG A 84 65.264 -7.731 -1.655 1.00 0.00 C ATOM 1237 NE ARG A 84 65.002 -9.175 -1.909 1.00 0.00 N ATOM 1238 CZ ARG A 84 65.967 -9.950 -2.322 1.00 0.00 C ATOM 1239 NH1 ARG A 84 67.039 -10.104 -1.593 1.00 0.00 N ATOM 1240 NH2 ARG A 84 65.862 -10.573 -3.464 1.00 0.00 N ATOM 0 H ARG A 84 64.236 -5.697 1.453 1.00 0.00 H new ATOM 0 HA ARG A 84 64.118 -8.388 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.317 -6.755 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.185 -8.499 0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.757 -8.124 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 84 64.175 -6.430 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.851 -7.109 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 84 66.334 -7.525 -1.613 1.00 0.00 H new ATOM 0 HE ARG A 84 64.068 -9.558 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 84 67.123 -9.618 -0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 84 67.793 -10.710 -1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 84 65.025 -10.454 -4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 84 66.617 -11.179 -3.786 1.00 0.00 H new ATOM 1254 N GLN A 85 66.494 -6.878 3.818 1.00 0.00 N ATOM 1255 CA GLN A 85 67.445 -7.091 4.946 1.00 0.00 C ATOM 1256 C GLN A 85 66.683 -7.090 6.272 1.00 0.00 C ATOM 1257 O GLN A 85 67.067 -7.742 7.222 1.00 0.00 O ATOM 1258 CB GLN A 85 68.412 -5.907 4.886 1.00 0.00 C ATOM 1259 CG GLN A 85 69.399 -5.995 6.051 1.00 0.00 C ATOM 1260 CD GLN A 85 70.404 -7.118 5.786 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.295 -6.970 4.844 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 70.378 -8.140 6.441 1.00 0.00 N flip ATOM 0 H GLN A 85 66.401 -5.912 3.504 1.00 0.00 H new ATOM 0 HA GLN A 85 67.969 -8.044 4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.950 -5.911 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.859 -4.969 4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.922 -5.046 6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.864 -6.184 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.682 -8.256 7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.052 -8.882 6.255 1.00 0.00 H new ATOM 1271 N MET A 86 65.601 -6.361 6.341 1.00 0.00 N ATOM 1272 CA MET A 86 64.809 -6.319 7.603 1.00 0.00 C ATOM 1273 C MET A 86 63.907 -7.550 7.699 1.00 0.00 C ATOM 1274 O MET A 86 63.557 -7.993 8.775 1.00 0.00 O ATOM 1275 CB MET A 86 63.968 -5.047 7.505 1.00 0.00 C ATOM 1276 CG MET A 86 64.451 -4.037 8.547 1.00 0.00 C ATOM 1277 SD MET A 86 63.024 -3.226 9.312 1.00 0.00 S ATOM 1278 CE MET A 86 62.255 -2.629 7.787 1.00 0.00 C ATOM 0 H MET A 86 65.232 -5.793 5.578 1.00 0.00 H new ATOM 0 HA MET A 86 65.445 -6.318 8.488 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.048 -4.621 6.505 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.916 -5.280 7.669 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.047 -4.541 9.308 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.096 -3.294 8.077 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.203 -2.413 7.971 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.760 -1.721 7.456 1.00 0.00 H new ATOM 0 HE3 MET A 86 62.339 -3.393 7.014 1.00 0.00 H new ATOM 1288 N LYS A 87 63.531 -8.111 6.582 1.00 0.00 N ATOM 1289 CA LYS A 87 62.657 -9.317 6.620 1.00 0.00 C ATOM 1290 C LYS A 87 63.239 -10.331 7.606 1.00 0.00 C ATOM 1291 O LYS A 87 62.532 -11.136 8.178 1.00 0.00 O ATOM 1292 CB LYS A 87 62.678 -9.871 5.196 1.00 0.00 C ATOM 1293 CG LYS A 87 61.502 -9.291 4.406 1.00 0.00 C ATOM 1294 CD LYS A 87 60.650 -10.432 3.847 1.00 0.00 C ATOM 1295 CE LYS A 87 60.217 -10.095 2.419 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.230 -11.150 2.056 1.00 0.00 N ATOM 0 H LYS A 87 63.790 -7.788 5.650 1.00 0.00 H new ATOM 0 HA LYS A 87 61.641 -9.093 6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 87 63.619 -9.615 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 87 62.615 -10.959 5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 87 60.897 -8.653 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 87 61.870 -8.665 3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.218 -11.362 3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 87 59.774 -10.588 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 87 59.771 -9.102 2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 87 61.068 -10.099 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.887 -10.986 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.685 -12.084 2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 58.428 -11.118 2.718 1.00 0.00 H new ATOM 1310 N GLU A 88 64.525 -10.283 7.816 1.00 0.00 N ATOM 1311 CA GLU A 88 65.164 -11.228 8.773 1.00 0.00 C ATOM 1312 C GLU A 88 65.372 -10.530 10.119 1.00 0.00 C ATOM 1313 O GLU A 88 65.229 -11.125 11.169 1.00 0.00 O ATOM 1314 CB GLU A 88 66.509 -11.586 8.140 1.00 0.00 C ATOM 1315 CG GLU A 88 66.519 -13.071 7.771 1.00 0.00 C ATOM 1316 CD GLU A 88 67.035 -13.237 6.341 1.00 0.00 C ATOM 1317 OE1 GLU A 88 68.239 -13.336 6.173 1.00 0.00 O ATOM 1318 OE2 GLU A 88 66.215 -13.263 5.436 1.00 0.00 O ATOM 0 H GLU A 88 65.163 -9.628 7.364 1.00 0.00 H new ATOM 0 HA GLU A 88 64.557 -12.115 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 88 66.678 -10.978 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.320 -11.367 8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.152 -13.625 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 88 65.514 -13.485 7.857 1.00 0.00 H new ATOM 1325 N ASP A 89 65.705 -9.267 10.095 1.00 0.00 N ATOM 1326 CA ASP A 89 65.919 -8.526 11.370 1.00 0.00 C ATOM 1327 C ASP A 89 64.572 -8.179 12.008 1.00 0.00 C ATOM 1328 O ASP A 89 64.453 -8.075 13.213 1.00 0.00 O ATOM 1329 CB ASP A 89 66.664 -7.251 10.967 1.00 0.00 C ATOM 1330 CG ASP A 89 67.707 -6.912 12.034 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.733 -7.569 12.061 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.460 -6.000 12.806 1.00 0.00 O ATOM 0 H ASP A 89 65.838 -8.717 9.246 1.00 0.00 H new ATOM 0 HA ASP A 89 66.478 -9.111 12.100 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.149 -7.390 10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.961 -6.426 10.855 1.00 0.00 H new ATOM 1337 N ALA A 90 63.555 -8.002 11.208 1.00 0.00 N ATOM 1338 CA ALA A 90 62.215 -7.663 11.769 1.00 0.00 C ATOM 1339 C ALA A 90 61.680 -8.833 12.600 1.00 0.00 C ATOM 1340 O ALA A 90 62.390 -9.817 12.731 1.00 0.00 O ATOM 1341 CB ALA A 90 61.326 -7.421 10.550 1.00 0.00 C ATOM 1342 OXT ALA A 90 60.569 -8.724 13.093 1.00 0.00 O ATOM 0 H ALA A 90 63.594 -8.077 10.192 1.00 0.00 H new ATOM 0 HA ALA A 90 62.249 -6.795 12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.319 -7.165 10.879 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.734 -6.601 9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.290 -8.324 9.941 1.00 0.00 H new