USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 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 Single : A 3 MET CE :methyl -150:sc= 0 (180deg=-0.0318) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0491 X(o=-0.049,f=-0.13) USER MOD Single : A 7 GLN :FLIP amide:sc= -1.87 F(o=-3!,f=-1.9) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -154:sc= 0 (180deg=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= -0.637 (180deg=-3.12!) USER MOD Single : A 44 THR OG1 : rot 134:sc= 0.00211 USER MOD Single : A 46 MET CE :methyl -158:sc= -0.582 (180deg=-2.2!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -8.14! C(o=-8.1!,f=-17!) USER MOD Single : A 52 ASN : amide:sc= -0.0078 K(o=-0.0078,f=-0.54) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -36:sc= 0.847 USER MOD Single : A 81 MET CE :methyl 131:sc= -6.07! (180deg=-8.02!) USER MOD Single : A 82 MET CE :methyl 161:sc= -1.37 (180deg=-2.83!) USER MOD Single : A 85 GLN : amide:sc= -2.01 X(o=-2,f=-1.7) 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 24 N MET A 3 64.813 -5.265 -11.569 1.00 0.00 N ATOM 25 CA MET A 3 64.696 -4.791 -10.161 1.00 0.00 C ATOM 26 C MET A 3 63.393 -4.013 -9.966 1.00 0.00 C ATOM 27 O MET A 3 62.938 -3.814 -8.857 1.00 0.00 O ATOM 28 CB MET A 3 65.901 -3.874 -9.960 1.00 0.00 C ATOM 29 CG MET A 3 67.000 -4.629 -9.210 1.00 0.00 C ATOM 30 SD MET A 3 67.453 -6.113 -10.139 1.00 0.00 S ATOM 31 CE MET A 3 68.811 -5.382 -11.085 1.00 0.00 C ATOM 0 HA MET A 3 64.680 -5.614 -9.447 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.275 -3.531 -10.925 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.607 -2.987 -9.399 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.872 -3.988 -9.079 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.653 -4.902 -8.213 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.895 -5.884 -12.049 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.614 -4.322 -11.244 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.743 -5.499 -10.533 1.00 0.00 H new ATOM 41 N THR A 4 62.788 -3.569 -11.034 1.00 0.00 N ATOM 42 CA THR A 4 61.514 -2.804 -10.904 1.00 0.00 C ATOM 43 C THR A 4 60.414 -3.703 -10.332 1.00 0.00 C ATOM 44 O THR A 4 59.341 -3.247 -9.992 1.00 0.00 O ATOM 45 CB THR A 4 61.165 -2.369 -12.329 1.00 0.00 C ATOM 46 OG1 THR A 4 60.120 -1.407 -12.285 1.00 0.00 O ATOM 47 CG2 THR A 4 60.712 -3.583 -13.139 1.00 0.00 C ATOM 0 H THR A 4 63.120 -3.702 -11.989 1.00 0.00 H new ATOM 0 HA THR A 4 61.610 -1.952 -10.231 1.00 0.00 H new ATOM 0 HB THR A 4 62.044 -1.930 -12.801 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.896 -1.126 -13.197 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.464 -3.271 -14.154 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.515 -4.319 -13.172 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.833 -4.026 -12.670 1.00 0.00 H new ATOM 55 N ASP A 5 60.674 -4.978 -10.225 1.00 0.00 N ATOM 56 CA ASP A 5 59.643 -5.905 -9.674 1.00 0.00 C ATOM 57 C ASP A 5 59.770 -5.992 -8.151 1.00 0.00 C ATOM 58 O ASP A 5 58.790 -5.965 -7.434 1.00 0.00 O ATOM 59 CB ASP A 5 59.946 -7.259 -10.316 1.00 0.00 C ATOM 60 CG ASP A 5 58.972 -7.508 -11.469 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.800 -7.213 -11.302 1.00 0.00 O ATOM 62 OD2 ASP A 5 59.414 -7.990 -12.498 1.00 0.00 O ATOM 0 H ASP A 5 61.554 -5.418 -10.495 1.00 0.00 H new ATOM 0 HA ASP A 5 58.628 -5.570 -9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.972 -7.278 -10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.858 -8.053 -9.574 1.00 0.00 H new ATOM 67 N GLN A 6 60.971 -6.098 -7.651 1.00 0.00 N ATOM 68 CA GLN A 6 61.161 -6.188 -6.175 1.00 0.00 C ATOM 69 C GLN A 6 60.802 -4.856 -5.512 1.00 0.00 C ATOM 70 O GLN A 6 60.772 -4.743 -4.303 1.00 0.00 O ATOM 71 CB GLN A 6 62.645 -6.499 -5.986 1.00 0.00 C ATOM 72 CG GLN A 6 62.819 -7.461 -4.808 1.00 0.00 C ATOM 73 CD GLN A 6 62.401 -8.870 -5.233 1.00 0.00 C ATOM 74 OE1 GLN A 6 61.315 -9.316 -4.918 1.00 0.00 O ATOM 75 NE2 GLN A 6 63.224 -9.595 -5.941 1.00 0.00 N ATOM 0 H GLN A 6 61.829 -6.126 -8.201 1.00 0.00 H new ATOM 0 HA GLN A 6 60.524 -6.948 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.053 -6.942 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.200 -5.579 -5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.857 -7.463 -4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.215 -7.131 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 6 64.135 -9.221 -6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 6 62.956 -10.536 -6.230 1.00 0.00 H new ATOM 84 N GLN A 7 60.531 -3.847 -6.293 1.00 0.00 N ATOM 85 CA GLN A 7 60.175 -2.525 -5.705 1.00 0.00 C ATOM 86 C GLN A 7 58.754 -2.562 -5.134 1.00 0.00 C ATOM 87 O GLN A 7 58.556 -2.515 -3.936 1.00 0.00 O ATOM 88 CB GLN A 7 60.259 -1.538 -6.871 1.00 0.00 C ATOM 89 CG GLN A 7 60.252 -0.107 -6.329 1.00 0.00 C ATOM 90 CD GLN A 7 59.641 0.831 -7.373 1.00 0.00 C ATOM 91 OE1 GLN A 7 58.848 1.792 -6.984 1.00 0.00 O flip ATOM 92 NE2 GLN A 7 59.890 0.688 -8.554 1.00 0.00 N flip ATOM 0 H GLN A 7 60.541 -3.881 -7.312 1.00 0.00 H new ATOM 0 HA GLN A 7 60.838 -2.247 -4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.167 -1.716 -7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.418 -1.686 -7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 7 59.679 -0.060 -5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.268 0.208 -6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 7 60.510 -0.063 -8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 7 59.479 1.319 -9.242 1.00 0.00 H new ATOM 101 N ALA A 8 57.765 -2.649 -5.981 1.00 0.00 N ATOM 102 CA ALA A 8 56.359 -2.686 -5.485 1.00 0.00 C ATOM 103 C ALA A 8 56.221 -3.705 -4.350 1.00 0.00 C ATOM 104 O ALA A 8 55.466 -3.510 -3.418 1.00 0.00 O ATOM 105 CB ALA A 8 55.526 -3.116 -6.693 1.00 0.00 C ATOM 0 H ALA A 8 57.869 -2.696 -6.995 1.00 0.00 H new ATOM 0 HA ALA A 8 56.038 -1.724 -5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.475 -3.168 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.650 -2.391 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.859 -4.096 -7.034 1.00 0.00 H new ATOM 111 N GLU A 9 56.944 -4.788 -4.420 1.00 0.00 N ATOM 112 CA GLU A 9 56.853 -5.818 -3.345 1.00 0.00 C ATOM 113 C GLU A 9 57.798 -5.468 -2.192 1.00 0.00 C ATOM 114 O GLU A 9 57.730 -6.043 -1.124 1.00 0.00 O ATOM 115 CB GLU A 9 57.280 -7.125 -4.012 1.00 0.00 C ATOM 116 CG GLU A 9 56.752 -8.312 -3.203 1.00 0.00 C ATOM 117 CD GLU A 9 57.682 -8.576 -2.018 1.00 0.00 C ATOM 118 OE1 GLU A 9 58.743 -7.975 -1.977 1.00 0.00 O ATOM 119 OE2 GLU A 9 57.319 -9.376 -1.172 1.00 0.00 O ATOM 0 H GLU A 9 57.594 -5.005 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 9 55.851 -5.885 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.896 -7.167 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.367 -7.172 -4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.743 -8.103 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 9 56.690 -9.198 -3.835 1.00 0.00 H new ATOM 126 N ALA A 10 58.682 -4.531 -2.401 1.00 0.00 N ATOM 127 CA ALA A 10 59.632 -4.147 -1.317 1.00 0.00 C ATOM 128 C ALA A 10 58.946 -3.216 -0.312 1.00 0.00 C ATOM 129 O ALA A 10 59.251 -3.225 0.864 1.00 0.00 O ATOM 130 CB ALA A 10 60.775 -3.425 -2.030 1.00 0.00 C ATOM 0 H ALA A 10 58.788 -4.015 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 10 59.985 -5.010 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.519 -3.109 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.238 -4.099 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.384 -2.551 -2.551 1.00 0.00 H new ATOM 136 N ARG A 11 58.022 -2.412 -0.764 1.00 0.00 N ATOM 137 CA ARG A 11 57.320 -1.481 0.170 1.00 0.00 C ATOM 138 C ARG A 11 56.122 -2.188 0.811 1.00 0.00 C ATOM 139 O ARG A 11 55.739 -1.896 1.926 1.00 0.00 O ATOM 140 CB ARG A 11 56.840 -0.311 -0.696 1.00 0.00 C ATOM 141 CG ARG A 11 57.887 0.024 -1.760 1.00 0.00 C ATOM 142 CD ARG A 11 57.360 -0.385 -3.136 1.00 0.00 C ATOM 143 NE ARG A 11 56.410 0.696 -3.521 1.00 0.00 N ATOM 144 CZ ARG A 11 55.179 0.666 -3.091 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.406 -0.340 -3.394 1.00 0.00 N ATOM 146 NH2 ARG A 11 54.721 1.643 -2.356 1.00 0.00 N ATOM 0 H ARG A 11 57.722 -2.358 -1.737 1.00 0.00 H new ATOM 0 HA ARG A 11 57.973 -1.145 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.894 -0.567 -1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.655 0.562 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.108 1.091 -1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.820 -0.498 -1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.171 -0.474 -3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.861 -1.353 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 11 56.722 1.460 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.764 -1.104 -3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 11 53.443 -0.363 -3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 11 55.326 2.429 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 11 53.758 1.620 -2.019 1.00 0.00 H new ATOM 160 N ALA A 12 55.526 -3.110 0.108 1.00 0.00 N ATOM 161 CA ALA A 12 54.349 -3.835 0.667 1.00 0.00 C ATOM 162 C ALA A 12 54.766 -4.684 1.870 1.00 0.00 C ATOM 163 O ALA A 12 53.939 -5.236 2.569 1.00 0.00 O ATOM 164 CB ALA A 12 53.861 -4.724 -0.476 1.00 0.00 C ATOM 0 H ALA A 12 55.803 -3.394 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 12 53.573 -3.155 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.993 -5.295 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.586 -4.103 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.656 -5.410 -0.769 1.00 0.00 H new ATOM 170 N PHE A 13 56.042 -4.796 2.119 1.00 0.00 N ATOM 171 CA PHE A 13 56.508 -5.612 3.277 1.00 0.00 C ATOM 172 C PHE A 13 56.052 -4.974 4.593 1.00 0.00 C ATOM 173 O PHE A 13 55.532 -5.636 5.468 1.00 0.00 O ATOM 174 CB PHE A 13 58.033 -5.603 3.176 1.00 0.00 C ATOM 175 CG PHE A 13 58.628 -6.108 4.469 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.100 -7.250 5.084 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.707 -5.434 5.051 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.655 -7.717 6.283 1.00 0.00 C ATOM 179 CE2 PHE A 13 60.261 -5.901 6.249 1.00 0.00 C ATOM 180 CZ PHE A 13 59.734 -7.043 6.865 1.00 0.00 C ATOM 0 H PHE A 13 56.782 -4.358 1.571 1.00 0.00 H new ATOM 0 HA PHE A 13 56.103 -6.624 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 13 58.356 -6.230 2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.388 -4.593 2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.267 -7.770 4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 13 60.113 -4.553 4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.249 -8.598 6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 13 61.094 -5.381 6.698 1.00 0.00 H new ATOM 0 HZ PHE A 13 60.161 -7.403 7.789 1.00 0.00 H new ATOM 190 N LEU A 14 56.246 -3.692 4.740 1.00 0.00 N ATOM 191 CA LEU A 14 55.826 -3.012 5.999 1.00 0.00 C ATOM 192 C LEU A 14 54.572 -2.170 5.753 1.00 0.00 C ATOM 193 O LEU A 14 54.334 -1.698 4.659 1.00 0.00 O ATOM 194 CB LEU A 14 57.008 -2.119 6.378 1.00 0.00 C ATOM 195 CG LEU A 14 58.294 -2.948 6.380 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.504 -2.016 6.294 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.369 -3.765 7.672 1.00 0.00 C ATOM 0 H LEU A 14 56.677 -3.085 4.043 1.00 0.00 H new ATOM 0 HA LEU A 14 55.580 -3.721 6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.096 -1.294 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.845 -1.679 7.362 1.00 0.00 H new ATOM 0 HG LEU A 14 58.295 -3.621 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.420 -2.607 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.450 -1.433 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.506 -1.342 7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.284 -4.357 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.369 -3.091 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 14 57.507 -4.430 7.733 1.00 0.00 H new ATOM 209 N SER A 15 53.767 -1.977 6.762 1.00 0.00 N ATOM 210 CA SER A 15 52.528 -1.165 6.583 1.00 0.00 C ATOM 211 C SER A 15 52.889 0.261 6.157 1.00 0.00 C ATOM 212 O SER A 15 54.044 0.633 6.114 1.00 0.00 O ATOM 213 CB SER A 15 51.855 -1.162 7.955 1.00 0.00 C ATOM 214 OG SER A 15 51.091 -2.351 8.104 1.00 0.00 O ATOM 0 H SER A 15 53.913 -2.346 7.702 1.00 0.00 H new ATOM 0 HA SER A 15 51.875 -1.571 5.811 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.607 -1.098 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.212 -0.288 8.056 1.00 0.00 H new ATOM 0 HG SER A 15 50.659 -2.354 8.984 1.00 0.00 H new ATOM 220 N GLU A 16 51.908 1.062 5.843 1.00 0.00 N ATOM 221 CA GLU A 16 52.192 2.461 5.420 1.00 0.00 C ATOM 222 C GLU A 16 52.816 3.248 6.577 1.00 0.00 C ATOM 223 O GLU A 16 53.425 4.281 6.380 1.00 0.00 O ATOM 224 CB GLU A 16 50.830 3.045 5.049 1.00 0.00 C ATOM 225 CG GLU A 16 50.995 4.510 4.642 1.00 0.00 C ATOM 226 CD GLU A 16 50.947 4.626 3.118 1.00 0.00 C ATOM 227 OE1 GLU A 16 50.848 3.598 2.468 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.012 5.740 2.626 1.00 0.00 O ATOM 0 H GLU A 16 50.921 0.807 5.861 1.00 0.00 H new ATOM 0 HA GLU A 16 52.896 2.507 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.390 2.477 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.147 2.966 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.204 5.113 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.942 4.898 5.017 1.00 0.00 H new ATOM 235 N GLU A 17 52.669 2.767 7.780 1.00 0.00 N ATOM 236 CA GLU A 17 53.252 3.489 8.948 1.00 0.00 C ATOM 237 C GLU A 17 54.781 3.480 8.869 1.00 0.00 C ATOM 238 O GLU A 17 55.435 4.450 9.197 1.00 0.00 O ATOM 239 CB GLU A 17 52.774 2.711 10.174 1.00 0.00 C ATOM 240 CG GLU A 17 53.514 3.210 11.417 1.00 0.00 C ATOM 241 CD GLU A 17 52.989 2.478 12.653 1.00 0.00 C ATOM 242 OE1 GLU A 17 52.054 1.708 12.508 1.00 0.00 O ATOM 243 OE2 GLU A 17 53.533 2.699 13.722 1.00 0.00 O ATOM 0 H GLU A 17 52.171 1.906 8.006 1.00 0.00 H new ATOM 0 HA GLU A 17 52.943 4.534 8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.699 2.839 10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.954 1.645 10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 17 54.585 3.040 11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.372 4.285 11.530 1.00 0.00 H new ATOM 250 N MET A 18 55.358 2.392 8.436 1.00 0.00 N ATOM 251 CA MET A 18 56.843 2.325 8.338 1.00 0.00 C ATOM 252 C MET A 18 57.336 3.187 7.173 1.00 0.00 C ATOM 253 O MET A 18 58.210 4.017 7.328 1.00 0.00 O ATOM 254 CB MET A 18 57.157 0.850 8.086 1.00 0.00 C ATOM 255 CG MET A 18 58.399 0.448 8.884 1.00 0.00 C ATOM 256 SD MET A 18 58.033 0.531 10.655 1.00 0.00 S ATOM 257 CE MET A 18 59.681 0.074 11.247 1.00 0.00 C ATOM 0 H MET A 18 54.865 1.547 8.146 1.00 0.00 H new ATOM 0 HA MET A 18 57.334 2.698 9.237 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.308 0.232 8.378 1.00 0.00 H new ATOM 0 HB3 MET A 18 57.324 0.680 7.022 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.707 -0.562 8.613 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.230 1.111 8.642 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.600 -0.380 12.234 1.00 0.00 H new ATOM 0 HE2 MET A 18 60.131 -0.638 10.556 1.00 0.00 H new ATOM 0 HE3 MET A 18 60.306 0.965 11.308 1.00 0.00 H new ATOM 267 N ILE A 19 56.780 2.998 6.007 1.00 0.00 N ATOM 268 CA ILE A 19 57.216 3.810 4.835 1.00 0.00 C ATOM 269 C ILE A 19 57.363 5.280 5.239 1.00 0.00 C ATOM 270 O ILE A 19 58.312 5.943 4.871 1.00 0.00 O ATOM 271 CB ILE A 19 56.101 3.646 3.803 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.205 2.260 3.159 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.242 4.719 2.722 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.815 1.797 2.723 1.00 0.00 C ATOM 0 H ILE A 19 56.044 2.318 5.815 1.00 0.00 H new ATOM 0 HA ILE A 19 58.182 3.489 4.444 1.00 0.00 H new ATOM 0 HB ILE A 19 55.134 3.750 4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.875 2.295 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.632 1.549 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.446 4.601 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.171 5.706 3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.209 4.615 2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.887 0.811 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.159 1.746 3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.406 2.504 2.001 1.00 0.00 H new ATOM 286 N ALA A 20 56.432 5.791 5.997 1.00 0.00 N ATOM 287 CA ALA A 20 56.519 7.216 6.428 1.00 0.00 C ATOM 288 C ALA A 20 57.647 7.388 7.450 1.00 0.00 C ATOM 289 O ALA A 20 58.211 8.455 7.593 1.00 0.00 O ATOM 290 CB ALA A 20 55.165 7.521 7.067 1.00 0.00 C ATOM 0 H ALA A 20 55.615 5.284 6.337 1.00 0.00 H new ATOM 0 HA ALA A 20 56.736 7.887 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.150 8.555 7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.374 7.371 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.004 6.854 7.914 1.00 0.00 H new ATOM 296 N GLU A 21 57.979 6.346 8.161 1.00 0.00 N ATOM 297 CA GLU A 21 59.070 6.447 9.171 1.00 0.00 C ATOM 298 C GLU A 21 60.432 6.492 8.474 1.00 0.00 C ATOM 299 O GLU A 21 61.208 7.408 8.666 1.00 0.00 O ATOM 300 CB GLU A 21 58.941 5.181 10.019 1.00 0.00 C ATOM 301 CG GLU A 21 60.145 5.068 10.957 1.00 0.00 C ATOM 302 CD GLU A 21 59.690 5.291 12.399 1.00 0.00 C ATOM 303 OE1 GLU A 21 58.971 6.249 12.632 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.067 4.498 13.248 1.00 0.00 O ATOM 0 H GLU A 21 57.541 5.428 8.086 1.00 0.00 H new ATOM 0 HA GLU A 21 58.993 7.351 9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.018 5.211 10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 21 58.885 4.303 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.606 4.085 10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 21 60.902 5.804 10.685 1.00 0.00 H new ATOM 311 N PHE A 22 60.728 5.512 7.666 1.00 0.00 N ATOM 312 CA PHE A 22 62.039 5.501 6.958 1.00 0.00 C ATOM 313 C PHE A 22 62.210 6.788 6.146 1.00 0.00 C ATOM 314 O PHE A 22 63.307 7.275 5.959 1.00 0.00 O ATOM 315 CB PHE A 22 61.981 4.284 6.030 1.00 0.00 C ATOM 316 CG PHE A 22 61.920 3.006 6.843 1.00 0.00 C ATOM 317 CD1 PHE A 22 61.889 3.054 8.246 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.896 1.769 6.188 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.834 1.868 8.986 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.840 0.583 6.930 1.00 0.00 C ATOM 321 CZ PHE A 22 61.809 0.632 8.329 1.00 0.00 C ATOM 0 H PHE A 22 60.119 4.719 7.465 1.00 0.00 H new ATOM 0 HA PHE A 22 62.881 5.445 7.648 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.107 4.353 5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.858 4.270 5.382 1.00 0.00 H new ATOM 0 HD1 PHE A 22 61.908 4.007 8.754 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.921 1.729 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.811 1.906 10.065 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.821 -0.370 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.766 -0.283 8.901 1.00 0.00 H new ATOM 331 N LYS A 23 61.131 7.343 5.665 1.00 0.00 N ATOM 332 CA LYS A 23 61.230 8.599 4.866 1.00 0.00 C ATOM 333 C LYS A 23 62.117 9.615 5.590 1.00 0.00 C ATOM 334 O LYS A 23 63.209 9.923 5.154 1.00 0.00 O ATOM 335 CB LYS A 23 59.795 9.117 4.763 1.00 0.00 C ATOM 336 CG LYS A 23 59.720 10.207 3.691 1.00 0.00 C ATOM 337 CD LYS A 23 59.706 9.560 2.305 1.00 0.00 C ATOM 338 CE LYS A 23 58.735 10.319 1.397 1.00 0.00 C ATOM 339 NZ LYS A 23 58.553 9.438 0.210 1.00 0.00 N ATOM 0 H LYS A 23 60.185 6.982 5.790 1.00 0.00 H new ATOM 0 HA LYS A 23 61.674 8.432 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.119 8.299 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.471 9.515 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.822 10.809 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.573 10.880 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.708 9.573 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.406 8.515 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 23 57.786 10.505 1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.139 11.290 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.899 9.890 -0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.472 9.284 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.161 8.524 0.513 1.00 0.00 H new ATOM 353 N ALA A 24 61.658 10.136 6.695 1.00 0.00 N ATOM 354 CA ALA A 24 62.477 11.129 7.446 1.00 0.00 C ATOM 355 C ALA A 24 63.881 10.572 7.702 1.00 0.00 C ATOM 356 O ALA A 24 64.830 11.309 7.875 1.00 0.00 O ATOM 357 CB ALA A 24 61.734 11.337 8.766 1.00 0.00 C ATOM 0 H ALA A 24 60.752 9.917 7.110 1.00 0.00 H new ATOM 0 HA ALA A 24 62.601 12.062 6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.275 12.058 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.731 11.713 8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.665 10.388 9.298 1.00 0.00 H new ATOM 363 N ALA A 25 64.018 9.274 7.725 1.00 0.00 N ATOM 364 CA ALA A 25 65.360 8.671 7.967 1.00 0.00 C ATOM 365 C ALA A 25 66.152 8.606 6.659 1.00 0.00 C ATOM 366 O ALA A 25 67.332 8.892 6.622 1.00 0.00 O ATOM 367 CB ALA A 25 65.073 7.263 8.491 1.00 0.00 C ATOM 0 H ALA A 25 63.260 8.606 7.587 1.00 0.00 H new ATOM 0 HA ALA A 25 65.955 9.254 8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.014 6.751 8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.490 7.328 9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.510 6.704 7.743 1.00 0.00 H new ATOM 373 N PHE A 26 65.511 8.233 5.585 1.00 0.00 N ATOM 374 CA PHE A 26 66.225 8.152 4.279 1.00 0.00 C ATOM 375 C PHE A 26 66.703 9.543 3.852 1.00 0.00 C ATOM 376 O PHE A 26 67.768 9.700 3.289 1.00 0.00 O ATOM 377 CB PHE A 26 65.185 7.615 3.294 1.00 0.00 C ATOM 378 CG PHE A 26 65.821 7.426 1.938 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.185 8.541 1.173 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.046 6.135 1.445 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.772 8.365 -0.085 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.634 5.960 0.186 1.00 0.00 C ATOM 383 CZ PHE A 26 66.998 7.074 -0.579 1.00 0.00 C ATOM 0 H PHE A 26 64.523 7.981 5.556 1.00 0.00 H new ATOM 0 HA PHE A 26 67.108 7.514 4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 26 64.784 6.668 3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.347 8.308 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.013 9.537 1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.766 5.275 2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 26 67.051 9.225 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.807 4.964 -0.195 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.453 6.938 -1.549 1.00 0.00 H new ATOM 393 N ASP A 27 65.921 10.553 4.117 1.00 0.00 N ATOM 394 CA ASP A 27 66.326 11.935 3.729 1.00 0.00 C ATOM 395 C ASP A 27 67.485 12.416 4.608 1.00 0.00 C ATOM 396 O ASP A 27 68.016 13.492 4.417 1.00 0.00 O ATOM 397 CB ASP A 27 65.082 12.792 3.966 1.00 0.00 C ATOM 398 CG ASP A 27 65.248 14.138 3.260 1.00 0.00 C ATOM 399 OD1 ASP A 27 66.160 14.257 2.458 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.460 15.029 3.534 1.00 0.00 O ATOM 0 H ASP A 27 65.018 10.482 4.586 1.00 0.00 H new ATOM 0 HA ASP A 27 66.669 11.990 2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.197 12.279 3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 27 64.932 12.946 5.035 1.00 0.00 H new ATOM 405 N MET A 28 67.880 11.629 5.570 1.00 0.00 N ATOM 406 CA MET A 28 69.002 12.042 6.461 1.00 0.00 C ATOM 407 C MET A 28 70.320 12.072 5.681 1.00 0.00 C ATOM 408 O MET A 28 71.296 12.649 6.117 1.00 0.00 O ATOM 409 CB MET A 28 69.056 10.973 7.553 1.00 0.00 C ATOM 410 CG MET A 28 67.834 11.109 8.463 1.00 0.00 C ATOM 411 SD MET A 28 67.903 12.696 9.331 1.00 0.00 S ATOM 412 CE MET A 28 66.813 12.252 10.706 1.00 0.00 C ATOM 0 H MET A 28 67.474 10.717 5.778 1.00 0.00 H new ATOM 0 HA MET A 28 68.852 13.041 6.871 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.079 9.980 7.104 1.00 0.00 H new ATOM 0 HB3 MET A 28 69.971 11.080 8.136 1.00 0.00 H new ATOM 0 HG2 MET A 28 66.919 11.044 7.874 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.809 10.290 9.182 1.00 0.00 H new ATOM 0 HE1 MET A 28 66.712 13.103 11.380 1.00 0.00 H new ATOM 0 HE2 MET A 28 65.832 11.978 10.319 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.238 11.408 11.249 1.00 0.00 H new ATOM 422 N PHE A 29 70.359 11.446 4.536 1.00 0.00 N ATOM 423 CA PHE A 29 71.623 11.434 3.739 1.00 0.00 C ATOM 424 C PHE A 29 71.387 12.050 2.358 1.00 0.00 C ATOM 425 O PHE A 29 72.299 12.190 1.566 1.00 0.00 O ATOM 426 CB PHE A 29 72.008 9.955 3.606 1.00 0.00 C ATOM 427 CG PHE A 29 71.610 9.204 4.856 1.00 0.00 C ATOM 428 CD1 PHE A 29 72.456 9.196 5.971 1.00 0.00 C ATOM 429 CD2 PHE A 29 70.387 8.527 4.901 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.079 8.509 7.130 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.009 7.839 6.059 1.00 0.00 C ATOM 432 CZ PHE A 29 70.855 7.830 7.175 1.00 0.00 C ATOM 0 H PHE A 29 69.575 10.944 4.118 1.00 0.00 H new ATOM 0 HA PHE A 29 72.410 12.016 4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.515 9.519 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.082 9.863 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 29 73.400 9.720 5.937 1.00 0.00 H new ATOM 0 HD2 PHE A 29 69.734 8.535 4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 29 72.732 8.502 7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 29 69.065 7.315 6.092 1.00 0.00 H new ATOM 0 HZ PHE A 29 70.564 7.300 8.070 1.00 0.00 H new ATOM 442 N ASP A 30 70.170 12.419 2.060 1.00 0.00 N ATOM 443 CA ASP A 30 69.882 13.025 0.728 1.00 0.00 C ATOM 444 C ASP A 30 70.571 14.387 0.607 1.00 0.00 C ATOM 445 O ASP A 30 69.955 15.422 0.771 1.00 0.00 O ATOM 446 CB ASP A 30 68.363 13.185 0.687 1.00 0.00 C ATOM 447 CG ASP A 30 67.861 12.932 -0.737 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.607 13.202 -1.663 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.739 12.472 -0.876 1.00 0.00 O ATOM 0 H ASP A 30 69.365 12.327 2.680 1.00 0.00 H new ATOM 0 HA ASP A 30 70.249 12.411 -0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.894 12.485 1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.083 14.188 1.010 1.00 0.00 H new ATOM 490 N GLY A 35 65.859 12.088 -3.803 1.00 0.00 N ATOM 491 CA GLY A 35 65.160 10.833 -3.403 1.00 0.00 C ATOM 492 C GLY A 35 66.110 9.645 -3.563 1.00 0.00 C ATOM 493 O GLY A 35 65.689 8.525 -3.773 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.823 10.906 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.272 10.687 -4.018 1.00 0.00 H new ATOM 497 N ASP A 36 67.390 9.881 -3.465 1.00 0.00 N ATOM 498 CA ASP A 36 68.367 8.764 -3.612 1.00 0.00 C ATOM 499 C ASP A 36 69.707 9.148 -2.978 1.00 0.00 C ATOM 500 O ASP A 36 70.241 10.210 -3.229 1.00 0.00 O ATOM 501 CB ASP A 36 68.526 8.572 -5.121 1.00 0.00 C ATOM 502 CG ASP A 36 68.756 9.929 -5.788 1.00 0.00 C ATOM 503 OD1 ASP A 36 67.797 10.674 -5.917 1.00 0.00 O ATOM 504 OD2 ASP A 36 69.886 10.201 -6.157 1.00 0.00 O ATOM 0 H ASP A 36 67.801 10.798 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 36 68.029 7.853 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.365 7.907 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.635 8.099 -5.534 1.00 0.00 H new ATOM 509 N ILE A 37 70.254 8.292 -2.159 1.00 0.00 N ATOM 510 CA ILE A 37 71.558 8.611 -1.511 1.00 0.00 C ATOM 511 C ILE A 37 72.705 7.961 -2.291 1.00 0.00 C ATOM 512 O ILE A 37 72.498 7.063 -3.082 1.00 0.00 O ATOM 513 CB ILE A 37 71.463 8.019 -0.104 1.00 0.00 C ATOM 514 CG1 ILE A 37 70.157 8.469 0.557 1.00 0.00 C ATOM 515 CG2 ILE A 37 72.647 8.502 0.735 1.00 0.00 C ATOM 516 CD1 ILE A 37 69.500 7.275 1.252 1.00 0.00 C ATOM 0 H ILE A 37 69.855 7.387 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 37 71.755 9.683 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 37 71.481 6.931 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.356 9.260 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 37 69.482 8.884 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 37 72.579 8.080 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 37 73.578 8.181 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 37 72.629 9.590 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 37 68.570 7.594 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 37 69.287 6.499 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.174 6.880 2.012 1.00 0.00 H new ATOM 528 N SER A 38 73.911 8.408 -2.073 1.00 0.00 N ATOM 529 CA SER A 38 75.068 7.813 -2.802 1.00 0.00 C ATOM 530 C SER A 38 75.144 6.308 -2.536 1.00 0.00 C ATOM 531 O SER A 38 75.114 5.866 -1.406 1.00 0.00 O ATOM 532 CB SER A 38 76.298 8.521 -2.235 1.00 0.00 C ATOM 533 OG SER A 38 77.377 8.392 -3.150 1.00 0.00 O ATOM 0 H SER A 38 74.146 9.158 -1.423 1.00 0.00 H new ATOM 0 HA SER A 38 74.986 7.940 -3.881 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.078 9.574 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.569 8.089 -1.272 1.00 0.00 H new ATOM 0 HG SER A 38 78.167 8.847 -2.790 1.00 0.00 H new ATOM 539 N THR A 39 75.241 5.518 -3.570 1.00 0.00 N ATOM 540 CA THR A 39 75.318 4.041 -3.373 1.00 0.00 C ATOM 541 C THR A 39 76.316 3.707 -2.261 1.00 0.00 C ATOM 542 O THR A 39 76.205 2.694 -1.600 1.00 0.00 O ATOM 543 CB THR A 39 75.805 3.489 -4.714 1.00 0.00 C ATOM 544 OG1 THR A 39 76.799 4.352 -5.247 1.00 0.00 O ATOM 545 CG2 THR A 39 74.628 3.398 -5.687 1.00 0.00 C ATOM 0 H THR A 39 75.270 5.829 -4.541 1.00 0.00 H new ATOM 0 HA THR A 39 74.360 3.612 -3.079 1.00 0.00 H new ATOM 0 HB THR A 39 76.229 2.496 -4.567 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.113 3.998 -6.105 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.975 3.005 -6.642 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.867 2.734 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.202 4.390 -5.836 1.00 0.00 H new ATOM 553 N LYS A 40 77.288 4.551 -2.049 1.00 0.00 N ATOM 554 CA LYS A 40 78.292 4.280 -0.980 1.00 0.00 C ATOM 555 C LYS A 40 77.687 4.563 0.398 1.00 0.00 C ATOM 556 O LYS A 40 78.245 4.207 1.417 1.00 0.00 O ATOM 557 CB LYS A 40 79.446 5.241 -1.268 1.00 0.00 C ATOM 558 CG LYS A 40 80.759 4.458 -1.328 1.00 0.00 C ATOM 559 CD LYS A 40 81.361 4.579 -2.730 1.00 0.00 C ATOM 560 CE LYS A 40 82.361 5.737 -2.757 1.00 0.00 C ATOM 561 NZ LYS A 40 83.311 5.452 -1.646 1.00 0.00 N ATOM 0 H LYS A 40 77.431 5.417 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 40 78.620 3.240 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.275 5.759 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.500 6.004 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.458 4.843 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.581 3.410 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.858 3.649 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.572 4.748 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.878 5.789 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 40 81.860 6.694 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.274 5.719 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.037 6.001 -0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.286 4.437 -1.420 1.00 0.00 H new ATOM 575 N GLU A 41 76.549 5.201 0.437 1.00 0.00 N ATOM 576 CA GLU A 41 75.908 5.507 1.747 1.00 0.00 C ATOM 577 C GLU A 41 74.633 4.675 1.917 1.00 0.00 C ATOM 578 O GLU A 41 74.063 4.604 2.988 1.00 0.00 O ATOM 579 CB GLU A 41 75.571 6.997 1.684 1.00 0.00 C ATOM 580 CG GLU A 41 74.852 7.415 2.968 1.00 0.00 C ATOM 581 CD GLU A 41 75.858 7.486 4.118 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.846 6.772 4.059 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.624 8.251 5.039 1.00 0.00 O ATOM 0 H GLU A 41 76.035 5.524 -0.383 1.00 0.00 H new ATOM 0 HA GLU A 41 76.557 5.271 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.483 7.581 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.940 7.201 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.373 8.384 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.063 6.701 3.205 1.00 0.00 H new ATOM 590 N LEU A 42 74.182 4.045 0.866 1.00 0.00 N ATOM 591 CA LEU A 42 72.946 3.217 0.965 1.00 0.00 C ATOM 592 C LEU A 42 73.041 2.259 2.157 1.00 0.00 C ATOM 593 O LEU A 42 72.047 1.768 2.652 1.00 0.00 O ATOM 594 CB LEU A 42 72.888 2.435 -0.348 1.00 0.00 C ATOM 595 CG LEU A 42 71.770 1.396 -0.275 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.069 1.302 -1.631 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.365 0.033 0.087 1.00 0.00 C ATOM 0 H LEU A 42 74.616 4.068 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 42 72.054 3.825 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.712 3.116 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.843 1.944 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 42 71.048 1.693 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.272 0.561 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.645 2.272 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.790 1.006 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.569 -0.709 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.087 -0.263 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.864 0.099 1.054 1.00 0.00 H new ATOM 609 N GLY A 43 74.231 1.989 2.620 1.00 0.00 N ATOM 610 CA GLY A 43 74.386 1.064 3.778 1.00 0.00 C ATOM 611 C GLY A 43 73.889 1.748 5.054 1.00 0.00 C ATOM 612 O GLY A 43 73.369 1.111 5.948 1.00 0.00 O ATOM 0 H GLY A 43 75.101 2.368 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.823 0.148 3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.432 0.779 3.890 1.00 0.00 H new ATOM 616 N THR A 44 74.046 3.039 5.146 1.00 0.00 N ATOM 617 CA THR A 44 73.585 3.761 6.368 1.00 0.00 C ATOM 618 C THR A 44 72.058 3.880 6.377 1.00 0.00 C ATOM 619 O THR A 44 71.396 3.414 7.283 1.00 0.00 O ATOM 620 CB THR A 44 74.232 5.145 6.276 1.00 0.00 C ATOM 621 OG1 THR A 44 75.606 5.049 6.623 1.00 0.00 O ATOM 622 CG2 THR A 44 73.528 6.108 7.235 1.00 0.00 C ATOM 0 H THR A 44 74.473 3.626 4.430 1.00 0.00 H new ATOM 0 HA THR A 44 73.863 3.239 7.283 1.00 0.00 H new ATOM 0 HB THR A 44 74.139 5.520 5.257 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.144 5.544 5.970 1.00 0.00 H new ATOM 0 HG21 THR A 44 73.991 7.092 7.167 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.474 6.183 6.967 1.00 0.00 H new ATOM 0 HG23 THR A 44 73.617 5.735 8.255 1.00 0.00 H new ATOM 630 N VAL A 45 71.496 4.505 5.380 1.00 0.00 N ATOM 631 CA VAL A 45 70.014 4.659 5.337 1.00 0.00 C ATOM 632 C VAL A 45 69.330 3.340 5.706 1.00 0.00 C ATOM 633 O VAL A 45 68.364 3.315 6.443 1.00 0.00 O ATOM 634 CB VAL A 45 69.699 5.043 3.890 1.00 0.00 C ATOM 635 CG1 VAL A 45 69.974 3.853 2.972 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.227 5.443 3.779 1.00 0.00 C ATOM 0 H VAL A 45 71.998 4.916 4.593 1.00 0.00 H new ATOM 0 HA VAL A 45 69.656 5.407 6.045 1.00 0.00 H new ATOM 0 HB VAL A 45 70.328 5.882 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.749 4.129 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.023 3.568 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.346 3.012 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.001 5.717 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.598 4.604 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.031 6.294 4.432 1.00 0.00 H new ATOM 646 N MET A 46 69.818 2.242 5.196 1.00 0.00 N ATOM 647 CA MET A 46 69.189 0.927 5.517 1.00 0.00 C ATOM 648 C MET A 46 69.656 0.424 6.888 1.00 0.00 C ATOM 649 O MET A 46 68.877 -0.089 7.665 1.00 0.00 O ATOM 650 CB MET A 46 69.656 -0.017 4.409 1.00 0.00 C ATOM 651 CG MET A 46 71.152 -0.298 4.569 1.00 0.00 C ATOM 652 SD MET A 46 71.757 -1.178 3.107 1.00 0.00 S ATOM 653 CE MET A 46 70.546 -2.520 3.131 1.00 0.00 C ATOM 0 H MET A 46 70.624 2.198 4.572 1.00 0.00 H new ATOM 0 HA MET A 46 68.102 0.995 5.565 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.094 -0.950 4.452 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.462 0.428 3.433 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.698 0.637 4.696 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.328 -0.894 5.465 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.940 -3.375 2.581 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.347 -2.812 4.162 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.620 -2.183 2.664 1.00 0.00 H new ATOM 663 N ARG A 47 70.918 0.559 7.189 1.00 0.00 N ATOM 664 CA ARG A 47 71.422 0.077 8.509 1.00 0.00 C ATOM 665 C ARG A 47 70.940 0.992 9.638 1.00 0.00 C ATOM 666 O ARG A 47 70.372 0.542 10.613 1.00 0.00 O ATOM 667 CB ARG A 47 72.946 0.121 8.395 1.00 0.00 C ATOM 668 CG ARG A 47 73.566 -0.647 9.563 1.00 0.00 C ATOM 669 CD ARG A 47 74.890 0.009 9.963 1.00 0.00 C ATOM 670 NE ARG A 47 75.559 -0.983 10.849 1.00 0.00 N ATOM 671 CZ ARG A 47 76.750 -0.737 11.322 1.00 0.00 C ATOM 672 NH1 ARG A 47 76.898 0.084 12.324 1.00 0.00 N ATOM 673 NH2 ARG A 47 77.794 -1.313 10.791 1.00 0.00 N ATOM 0 H ARG A 47 71.621 0.980 6.582 1.00 0.00 H new ATOM 0 HA ARG A 47 71.059 -0.924 8.742 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.263 -0.317 7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.292 1.155 8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 47 72.881 -0.654 10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 47 73.734 -1.686 9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.501 0.232 9.088 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.722 0.952 10.483 1.00 0.00 H new ATOM 0 HE ARG A 47 75.086 -1.855 11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.082 0.535 12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 47 77.829 0.276 12.693 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.679 -1.955 10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.725 -1.121 11.160 1.00 0.00 H new ATOM 687 N MET A 48 71.166 2.272 9.518 1.00 0.00 N ATOM 688 CA MET A 48 70.723 3.210 10.592 1.00 0.00 C ATOM 689 C MET A 48 69.222 3.051 10.857 1.00 0.00 C ATOM 690 O MET A 48 68.712 3.494 11.868 1.00 0.00 O ATOM 691 CB MET A 48 71.029 4.606 10.050 1.00 0.00 C ATOM 692 CG MET A 48 72.019 5.310 10.980 1.00 0.00 C ATOM 693 SD MET A 48 71.574 7.059 11.123 1.00 0.00 S ATOM 694 CE MET A 48 71.972 7.252 12.878 1.00 0.00 C ATOM 0 H MET A 48 71.637 2.709 8.726 1.00 0.00 H new ATOM 0 HA MET A 48 71.230 3.020 11.538 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.446 4.534 9.045 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.110 5.187 9.973 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.008 4.840 11.963 1.00 0.00 H new ATOM 0 HG3 MET A 48 73.032 5.212 10.591 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.769 8.277 13.187 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.361 6.568 13.467 1.00 0.00 H new ATOM 0 HE3 MET A 48 73.026 7.027 13.039 1.00 0.00 H new ATOM 704 N LEU A 49 68.509 2.428 9.957 1.00 0.00 N ATOM 705 CA LEU A 49 67.042 2.249 10.163 1.00 0.00 C ATOM 706 C LEU A 49 66.773 1.067 11.100 1.00 0.00 C ATOM 707 O LEU A 49 65.647 0.802 11.471 1.00 0.00 O ATOM 708 CB LEU A 49 66.480 1.968 8.771 1.00 0.00 C ATOM 709 CG LEU A 49 66.088 3.287 8.104 1.00 0.00 C ATOM 710 CD1 LEU A 49 65.706 3.029 6.646 1.00 0.00 C ATOM 711 CD2 LEU A 49 64.896 3.897 8.844 1.00 0.00 C ATOM 0 H LEU A 49 68.877 2.036 9.090 1.00 0.00 H new ATOM 0 HA LEU A 49 66.582 3.124 10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.223 1.448 8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.612 1.312 8.843 1.00 0.00 H new ATOM 0 HG LEU A 49 66.931 3.977 8.141 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.427 3.970 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.555 2.595 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.863 2.339 6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.616 4.837 8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.053 3.207 8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.169 4.082 9.883 1.00 0.00 H new ATOM 723 N GLY A 50 67.796 0.357 11.490 1.00 0.00 N ATOM 724 CA GLY A 50 67.592 -0.803 12.404 1.00 0.00 C ATOM 725 C GLY A 50 67.963 -2.101 11.685 1.00 0.00 C ATOM 726 O GLY A 50 67.492 -3.168 12.027 1.00 0.00 O ATOM 0 H GLY A 50 68.763 0.529 11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.203 -0.685 13.299 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.553 -0.842 12.731 1.00 0.00 H new ATOM 730 N GLN A 51 68.807 -2.023 10.692 1.00 0.00 N ATOM 731 CA GLN A 51 69.207 -3.257 9.956 1.00 0.00 C ATOM 732 C GLN A 51 70.728 -3.425 9.994 1.00 0.00 C ATOM 733 O GLN A 51 71.432 -2.650 10.611 1.00 0.00 O ATOM 734 CB GLN A 51 68.726 -3.039 8.521 1.00 0.00 C ATOM 735 CG GLN A 51 67.201 -2.928 8.504 1.00 0.00 C ATOM 736 CD GLN A 51 66.792 -1.552 7.977 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.519 -0.651 8.744 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.736 -1.352 6.688 1.00 0.00 N ATOM 0 H GLN A 51 69.236 -1.160 10.359 1.00 0.00 H new ATOM 0 HA GLN A 51 68.777 -4.157 10.396 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.172 -2.133 8.111 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.048 -3.867 7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.776 -3.710 7.875 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.804 -3.076 9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.965 -2.109 6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.463 -0.439 6.325 1.00 0.00 H new ATOM 747 N ASN A 52 71.240 -4.429 9.339 1.00 0.00 N ATOM 748 CA ASN A 52 72.716 -4.644 9.338 1.00 0.00 C ATOM 749 C ASN A 52 73.135 -5.436 8.096 1.00 0.00 C ATOM 750 O ASN A 52 73.292 -6.639 8.149 1.00 0.00 O ATOM 751 CB ASN A 52 72.998 -5.449 10.607 1.00 0.00 C ATOM 752 CG ASN A 52 73.969 -4.672 11.499 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.986 -4.194 11.037 1.00 0.00 O ATOM 754 ND2 ASN A 52 73.696 -4.526 12.766 1.00 0.00 N ATOM 0 H ASN A 52 70.702 -5.110 8.804 1.00 0.00 H new ATOM 0 HA ASN A 52 73.270 -3.706 9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.068 -5.640 11.143 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.422 -6.419 10.348 1.00 0.00 H new ATOM 0 HD21 ASN A 52 74.336 -4.010 13.370 1.00 0.00 H new ATOM 0 HD22 ASN A 52 72.842 -4.927 13.153 1.00 0.00 H new ATOM 761 N PRO A 53 73.301 -4.725 7.014 1.00 0.00 N ATOM 762 CA PRO A 53 73.708 -5.363 5.737 1.00 0.00 C ATOM 763 C PRO A 53 75.176 -5.794 5.802 1.00 0.00 C ATOM 764 O PRO A 53 76.063 -4.985 5.988 1.00 0.00 O ATOM 765 CB PRO A 53 73.512 -4.254 4.706 1.00 0.00 C ATOM 766 CG PRO A 53 73.618 -2.981 5.484 1.00 0.00 C ATOM 767 CD PRO A 53 73.129 -3.275 6.877 1.00 0.00 C ATOM 0 HA PRO A 53 73.137 -6.261 5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.270 -4.303 3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.542 -4.338 4.216 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.648 -2.626 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.019 -2.196 5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.706 -2.732 7.626 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.087 -2.983 7.004 1.00 0.00 H new ATOM 775 N THR A 54 75.440 -7.063 5.652 1.00 0.00 N ATOM 776 CA THR A 54 76.852 -7.541 5.706 1.00 0.00 C ATOM 777 C THR A 54 77.687 -6.847 4.628 1.00 0.00 C ATOM 778 O THR A 54 77.208 -6.560 3.548 1.00 0.00 O ATOM 779 CB THR A 54 76.774 -9.044 5.436 1.00 0.00 C ATOM 780 OG1 THR A 54 76.466 -9.262 4.066 1.00 0.00 O ATOM 781 CG2 THR A 54 75.687 -9.669 6.311 1.00 0.00 C ATOM 0 H THR A 54 74.741 -7.789 5.495 1.00 0.00 H new ATOM 0 HA THR A 54 77.324 -7.323 6.664 1.00 0.00 H new ATOM 0 HB THR A 54 77.733 -9.505 5.672 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.417 -10.225 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.634 -10.740 6.116 1.00 0.00 H new ATOM 0 HG22 THR A 54 75.925 -9.503 7.362 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.726 -9.210 6.080 1.00 0.00 H new ATOM 789 N LYS A 55 78.931 -6.574 4.910 1.00 0.00 N ATOM 790 CA LYS A 55 79.792 -5.900 3.898 1.00 0.00 C ATOM 791 C LYS A 55 79.564 -6.522 2.518 1.00 0.00 C ATOM 792 O LYS A 55 79.508 -5.835 1.518 1.00 0.00 O ATOM 793 CB LYS A 55 81.225 -6.148 4.371 1.00 0.00 C ATOM 794 CG LYS A 55 82.167 -5.145 3.702 1.00 0.00 C ATOM 795 CD LYS A 55 83.235 -4.703 4.704 1.00 0.00 C ATOM 796 CE LYS A 55 84.396 -5.700 4.686 1.00 0.00 C ATOM 797 NZ LYS A 55 85.456 -5.072 5.524 1.00 0.00 N ATOM 0 H LYS A 55 79.388 -6.788 5.796 1.00 0.00 H new ATOM 0 HA LYS A 55 79.573 -4.836 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.283 -6.050 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.528 -7.166 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.637 -5.598 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.604 -4.281 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.595 -3.705 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 55 82.808 -4.644 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.093 -6.666 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.749 -5.877 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.286 -5.697 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.729 -4.158 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.094 -4.922 6.487 1.00 0.00 H new ATOM 811 N GLU A 56 79.429 -7.819 2.458 1.00 0.00 N ATOM 812 CA GLU A 56 79.200 -8.482 1.143 1.00 0.00 C ATOM 813 C GLU A 56 77.909 -7.960 0.511 1.00 0.00 C ATOM 814 O GLU A 56 77.899 -7.501 -0.615 1.00 0.00 O ATOM 815 CB GLU A 56 79.076 -9.972 1.466 1.00 0.00 C ATOM 816 CG GLU A 56 80.462 -10.620 1.426 1.00 0.00 C ATOM 817 CD GLU A 56 81.329 -10.043 2.545 1.00 0.00 C ATOM 818 OE1 GLU A 56 81.215 -10.522 3.662 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.092 -9.133 2.268 1.00 0.00 O ATOM 0 H GLU A 56 79.467 -8.447 3.261 1.00 0.00 H new ATOM 0 HA GLU A 56 80.004 -8.286 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 56 78.629 -10.105 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.415 -10.457 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 56 80.373 -11.700 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.931 -10.440 0.459 1.00 0.00 H new ATOM 826 N GLU A 57 76.819 -8.021 1.226 1.00 0.00 N ATOM 827 CA GLU A 57 75.533 -7.522 0.665 1.00 0.00 C ATOM 828 C GLU A 57 75.724 -6.110 0.107 1.00 0.00 C ATOM 829 O GLU A 57 75.220 -5.774 -0.947 1.00 0.00 O ATOM 830 CB GLU A 57 74.562 -7.505 1.847 1.00 0.00 C ATOM 831 CG GLU A 57 74.128 -8.936 2.171 1.00 0.00 C ATOM 832 CD GLU A 57 73.185 -9.443 1.079 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.018 -9.085 1.116 1.00 0.00 O ATOM 834 OE2 GLU A 57 73.644 -10.180 0.222 1.00 0.00 O ATOM 0 H GLU A 57 76.764 -8.395 2.174 1.00 0.00 H new ATOM 0 HA GLU A 57 75.165 -8.144 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.039 -7.052 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.691 -6.895 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.001 -9.585 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 57 73.629 -8.965 3.140 1.00 0.00 H new ATOM 841 N LEU A 58 76.456 -5.284 0.803 1.00 0.00 N ATOM 842 CA LEU A 58 76.687 -3.896 0.312 1.00 0.00 C ATOM 843 C LEU A 58 77.276 -3.934 -1.099 1.00 0.00 C ATOM 844 O LEU A 58 76.628 -3.581 -2.064 1.00 0.00 O ATOM 845 CB LEU A 58 77.689 -3.291 1.296 1.00 0.00 C ATOM 846 CG LEU A 58 77.088 -2.038 1.932 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.727 -1.033 0.838 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.828 -2.420 2.711 1.00 0.00 C ATOM 0 H LEU A 58 76.904 -5.510 1.691 1.00 0.00 H new ATOM 0 HA LEU A 58 75.767 -3.314 0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.941 -4.018 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.616 -3.041 0.780 1.00 0.00 H new ATOM 0 HG LEU A 58 77.814 -1.589 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.298 -0.139 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.625 -0.763 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.000 -1.479 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 58 75.397 -1.528 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.102 -2.868 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 58 76.086 -3.137 3.491 1.00 0.00 H new ATOM 860 N ASP A 59 78.502 -4.365 -1.227 1.00 0.00 N ATOM 861 CA ASP A 59 79.131 -4.430 -2.578 1.00 0.00 C ATOM 862 C ASP A 59 78.185 -5.124 -3.559 1.00 0.00 C ATOM 863 O ASP A 59 77.957 -4.652 -4.656 1.00 0.00 O ATOM 864 CB ASP A 59 80.403 -5.256 -2.381 1.00 0.00 C ATOM 865 CG ASP A 59 81.580 -4.551 -3.059 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.549 -3.334 -3.139 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.491 -5.241 -3.487 1.00 0.00 O ATOM 0 H ASP A 59 79.094 -4.674 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 59 79.348 -3.443 -2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.605 -5.383 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.271 -6.253 -2.802 1.00 0.00 H new ATOM 872 N ALA A 60 77.630 -6.240 -3.174 1.00 0.00 N ATOM 873 CA ALA A 60 76.695 -6.960 -4.085 1.00 0.00 C ATOM 874 C ALA A 60 75.497 -6.065 -4.416 1.00 0.00 C ATOM 875 O ALA A 60 75.042 -6.012 -5.541 1.00 0.00 O ATOM 876 CB ALA A 60 76.245 -8.193 -3.301 1.00 0.00 C ATOM 0 H ALA A 60 77.783 -6.685 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 60 77.163 -7.232 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.552 -8.777 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.113 -8.804 -3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.748 -7.879 -2.383 1.00 0.00 H new ATOM 882 N ILE A 61 74.988 -5.359 -3.444 1.00 0.00 N ATOM 883 CA ILE A 61 73.824 -4.466 -3.703 1.00 0.00 C ATOM 884 C ILE A 61 74.248 -3.301 -4.601 1.00 0.00 C ATOM 885 O ILE A 61 73.676 -3.073 -5.649 1.00 0.00 O ATOM 886 CB ILE A 61 73.398 -3.959 -2.326 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.710 -5.091 -1.560 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.423 -2.791 -2.492 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.709 -4.771 -0.064 1.00 0.00 C ATOM 0 H ILE A 61 75.328 -5.362 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 61 73.010 -4.981 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 61 74.276 -3.624 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.687 -5.216 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.228 -6.033 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 61 72.119 -2.429 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.911 -1.985 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.544 -3.126 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.219 -5.578 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.736 -4.668 0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.172 -3.838 0.108 1.00 0.00 H new ATOM 901 N ILE A 62 75.250 -2.564 -4.203 1.00 0.00 N ATOM 902 CA ILE A 62 75.708 -1.421 -5.043 1.00 0.00 C ATOM 903 C ILE A 62 75.782 -1.851 -6.507 1.00 0.00 C ATOM 904 O ILE A 62 75.019 -1.402 -7.337 1.00 0.00 O ATOM 905 CB ILE A 62 77.098 -1.070 -4.519 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.984 -0.504 -3.100 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.737 -0.022 -5.433 1.00 0.00 C ATOM 908 CD1 ILE A 62 78.385 -0.276 -2.528 1.00 0.00 C ATOM 0 H ILE A 62 75.769 -2.703 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 62 75.030 -0.569 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 62 77.716 -1.968 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.428 0.434 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 62 76.428 -1.194 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.730 0.230 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.820 -0.422 -6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 62 77.117 0.874 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 62 78.305 0.127 -1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.925 -1.223 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.925 0.430 -3.159 1.00 0.00 H new ATOM 920 N GLU A 63 76.696 -2.726 -6.831 1.00 0.00 N ATOM 921 CA GLU A 63 76.814 -3.190 -8.242 1.00 0.00 C ATOM 922 C GLU A 63 75.426 -3.519 -8.795 1.00 0.00 C ATOM 923 O GLU A 63 75.077 -3.136 -9.894 1.00 0.00 O ATOM 924 CB GLU A 63 77.680 -4.449 -8.174 1.00 0.00 C ATOM 925 CG GLU A 63 78.468 -4.596 -9.478 1.00 0.00 C ATOM 926 CD GLU A 63 79.242 -5.915 -9.461 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.330 -5.934 -8.911 1.00 0.00 O ATOM 928 OE2 GLU A 63 78.733 -6.884 -9.999 1.00 0.00 O ATOM 0 H GLU A 63 77.365 -3.138 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 63 77.250 -2.435 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.364 -4.388 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.053 -5.326 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.789 -4.572 -10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.157 -3.759 -9.595 1.00 0.00 H new ATOM 935 N GLU A 64 74.629 -4.221 -8.036 1.00 0.00 N ATOM 936 CA GLU A 64 73.260 -4.568 -8.512 1.00 0.00 C ATOM 937 C GLU A 64 72.477 -3.286 -8.814 1.00 0.00 C ATOM 938 O GLU A 64 71.876 -3.145 -9.860 1.00 0.00 O ATOM 939 CB GLU A 64 72.624 -5.338 -7.349 1.00 0.00 C ATOM 940 CG GLU A 64 71.097 -5.268 -7.445 1.00 0.00 C ATOM 941 CD GLU A 64 70.489 -6.567 -6.911 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.116 -7.601 -7.072 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.407 -6.505 -6.351 1.00 0.00 O ATOM 0 H GLU A 64 74.867 -4.569 -7.107 1.00 0.00 H new ATOM 0 HA GLU A 64 73.268 -5.158 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.950 -6.378 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.956 -4.918 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.725 -4.418 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.794 -5.112 -8.480 1.00 0.00 H new ATOM 950 N VAL A 65 72.484 -2.352 -7.904 1.00 0.00 N ATOM 951 CA VAL A 65 71.744 -1.079 -8.135 1.00 0.00 C ATOM 952 C VAL A 65 72.637 -0.074 -8.870 1.00 0.00 C ATOM 953 O VAL A 65 72.253 1.053 -9.109 1.00 0.00 O ATOM 954 CB VAL A 65 71.396 -0.568 -6.738 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.766 -1.699 -5.924 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.668 -0.086 -6.038 1.00 0.00 C ATOM 0 H VAL A 65 72.970 -2.415 -7.010 1.00 0.00 H new ATOM 0 HA VAL A 65 70.856 -1.221 -8.750 1.00 0.00 H new ATOM 0 HB VAL A 65 70.691 0.259 -6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.517 -1.335 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.859 -2.044 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.472 -2.526 -5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.419 0.278 -5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.374 -0.913 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 65 73.119 0.720 -6.617 1.00 0.00 H new ATOM 966 N ASP A 66 73.825 -0.477 -9.229 1.00 0.00 N ATOM 967 CA ASP A 66 74.743 0.452 -9.948 1.00 0.00 C ATOM 968 C ASP A 66 74.590 0.277 -11.462 1.00 0.00 C ATOM 969 O ASP A 66 74.995 1.119 -12.238 1.00 0.00 O ATOM 970 CB ASP A 66 76.147 0.043 -9.501 1.00 0.00 C ATOM 971 CG ASP A 66 77.185 0.903 -10.224 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.169 2.107 -10.026 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.979 0.344 -10.962 1.00 0.00 O ATOM 0 H ASP A 66 74.200 -1.410 -9.056 1.00 0.00 H new ATOM 0 HA ASP A 66 74.532 1.498 -9.725 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.246 0.165 -8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.317 -1.011 -9.720 1.00 0.00 H new ATOM 1030 N THR A 72 73.587 6.166 -7.751 1.00 0.00 N ATOM 1031 CA THR A 72 72.784 6.388 -6.513 1.00 0.00 C ATOM 1032 C THR A 72 71.624 5.391 -6.449 1.00 0.00 C ATOM 1033 O THR A 72 71.362 4.667 -7.389 1.00 0.00 O ATOM 1034 CB THR A 72 72.257 7.818 -6.635 1.00 0.00 C ATOM 1035 OG1 THR A 72 72.067 8.135 -8.007 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.264 8.791 -6.020 1.00 0.00 C ATOM 0 HA THR A 72 73.373 6.247 -5.607 1.00 0.00 H new ATOM 0 HB THR A 72 71.307 7.901 -6.107 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.776 7.718 -8.540 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.886 9.810 -6.108 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.409 8.548 -4.967 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.216 8.710 -6.545 1.00 0.00 H new ATOM 1044 N ILE A 73 70.926 5.349 -5.348 1.00 0.00 N ATOM 1045 CA ILE A 73 69.782 4.400 -5.224 1.00 0.00 C ATOM 1046 C ILE A 73 68.465 5.172 -5.096 1.00 0.00 C ATOM 1047 O ILE A 73 68.363 6.122 -4.347 1.00 0.00 O ATOM 1048 CB ILE A 73 70.063 3.606 -3.949 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.975 2.545 -3.761 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.064 4.553 -2.747 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.370 1.271 -4.510 1.00 0.00 C ATOM 0 H ILE A 73 71.098 5.931 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 73 69.687 3.752 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 73 71.036 3.121 -4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.841 2.330 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.021 2.917 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.264 3.986 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.837 5.310 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.091 5.038 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.596 0.516 -4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.481 1.493 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.315 0.896 -4.117 1.00 0.00 H new ATOM 1063 N ASP A 74 67.458 4.769 -5.822 1.00 0.00 N ATOM 1064 CA ASP A 74 66.150 5.479 -5.740 1.00 0.00 C ATOM 1065 C ASP A 74 65.334 4.950 -4.556 1.00 0.00 C ATOM 1066 O ASP A 74 65.190 3.758 -4.374 1.00 0.00 O ATOM 1067 CB ASP A 74 65.447 5.166 -7.061 1.00 0.00 C ATOM 1068 CG ASP A 74 65.833 6.213 -8.107 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.228 7.273 -8.107 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.727 5.938 -8.890 1.00 0.00 O ATOM 0 H ASP A 74 67.484 3.980 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 74 66.270 6.552 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.727 4.171 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.366 5.161 -6.918 1.00 0.00 H new ATOM 1075 N PHE A 75 64.801 5.828 -3.750 1.00 0.00 N ATOM 1076 CA PHE A 75 63.997 5.372 -2.579 1.00 0.00 C ATOM 1077 C PHE A 75 63.072 4.223 -2.989 1.00 0.00 C ATOM 1078 O PHE A 75 63.039 3.185 -2.357 1.00 0.00 O ATOM 1079 CB PHE A 75 63.180 6.593 -2.155 1.00 0.00 C ATOM 1080 CG PHE A 75 62.540 6.329 -0.814 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.362 5.578 -0.735 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.127 6.834 0.353 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.769 5.331 0.509 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.535 6.586 1.598 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.356 5.836 1.675 1.00 0.00 C ATOM 0 H PHE A 75 64.887 6.839 -3.851 1.00 0.00 H new ATOM 0 HA PHE A 75 64.624 5.002 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.823 7.471 -2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.414 6.808 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.910 5.188 -1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.036 7.414 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.860 4.751 0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.988 6.974 2.498 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.899 5.647 2.635 1.00 0.00 H new ATOM 1095 N GLU A 76 62.322 4.398 -4.042 1.00 0.00 N ATOM 1096 CA GLU A 76 61.402 3.313 -4.489 1.00 0.00 C ATOM 1097 C GLU A 76 62.182 2.010 -4.676 1.00 0.00 C ATOM 1098 O GLU A 76 61.842 0.986 -4.117 1.00 0.00 O ATOM 1099 CB GLU A 76 60.832 3.798 -5.822 1.00 0.00 C ATOM 1100 CG GLU A 76 59.494 4.499 -5.580 1.00 0.00 C ATOM 1101 CD GLU A 76 59.069 5.243 -6.846 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.796 6.131 -7.260 1.00 0.00 O ATOM 1103 OE2 GLU A 76 58.023 4.913 -7.381 1.00 0.00 O ATOM 0 H GLU A 76 62.306 5.244 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 76 60.614 3.111 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.532 4.483 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.696 2.955 -6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.734 3.768 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.583 5.198 -4.748 1.00 0.00 H new ATOM 1110 N GLU A 77 63.230 2.040 -5.455 1.00 0.00 N ATOM 1111 CA GLU A 77 64.034 0.804 -5.670 1.00 0.00 C ATOM 1112 C GLU A 77 64.824 0.467 -4.403 1.00 0.00 C ATOM 1113 O GLU A 77 65.162 -0.673 -4.155 1.00 0.00 O ATOM 1114 CB GLU A 77 64.981 1.142 -6.821 1.00 0.00 C ATOM 1115 CG GLU A 77 65.382 -0.144 -7.548 1.00 0.00 C ATOM 1116 CD GLU A 77 64.702 -0.190 -8.917 1.00 0.00 C ATOM 1117 OE1 GLU A 77 64.727 0.819 -9.603 1.00 0.00 O ATOM 1118 OE2 GLU A 77 64.169 -1.233 -9.257 1.00 0.00 O ATOM 0 H GLU A 77 63.563 2.867 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 77 63.412 -0.062 -5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.496 1.828 -7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.868 1.648 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.465 -0.185 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.093 -1.013 -6.957 1.00 0.00 H new ATOM 1125 N PHE A 78 65.117 1.452 -3.599 1.00 0.00 N ATOM 1126 CA PHE A 78 65.880 1.192 -2.346 1.00 0.00 C ATOM 1127 C PHE A 78 65.015 0.396 -1.364 1.00 0.00 C ATOM 1128 O PHE A 78 65.500 -0.440 -0.629 1.00 0.00 O ATOM 1129 CB PHE A 78 66.201 2.579 -1.784 1.00 0.00 C ATOM 1130 CG PHE A 78 66.574 2.467 -0.324 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.809 1.923 0.044 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.682 2.908 0.660 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.153 1.819 1.398 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.025 2.805 2.013 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.261 2.260 2.382 1.00 0.00 C ATOM 0 H PHE A 78 64.861 2.427 -3.756 1.00 0.00 H new ATOM 0 HA PHE A 78 66.783 0.608 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.021 3.028 -2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.339 3.236 -1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.497 1.583 -0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.729 3.328 0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.106 1.399 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.337 3.146 2.772 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.526 2.180 3.426 1.00 0.00 H new ATOM 1145 N LEU A 79 63.735 0.651 -1.348 1.00 0.00 N ATOM 1146 CA LEU A 79 62.839 -0.090 -0.415 1.00 0.00 C ATOM 1147 C LEU A 79 63.188 -1.581 -0.423 1.00 0.00 C ATOM 1148 O LEU A 79 62.982 -2.281 0.548 1.00 0.00 O ATOM 1149 CB LEU A 79 61.427 0.137 -0.955 1.00 0.00 C ATOM 1150 CG LEU A 79 60.870 1.446 -0.394 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.173 2.226 -1.508 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.864 1.135 0.717 1.00 0.00 C ATOM 0 H LEU A 79 63.271 1.340 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 79 62.938 0.253 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.445 0.174 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.781 -0.695 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 79 61.687 2.044 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.777 3.159 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.889 2.447 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.356 1.629 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.466 2.067 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.048 0.536 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.361 0.580 1.513 1.00 0.00 H new ATOM 1164 N VAL A 80 63.716 -2.071 -1.511 1.00 0.00 N ATOM 1165 CA VAL A 80 64.078 -3.517 -1.574 1.00 0.00 C ATOM 1166 C VAL A 80 65.310 -3.785 -0.705 1.00 0.00 C ATOM 1167 O VAL A 80 65.461 -4.848 -0.138 1.00 0.00 O ATOM 1168 CB VAL A 80 64.386 -3.791 -3.048 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.291 -3.176 -3.923 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.736 -3.170 -3.412 1.00 0.00 C ATOM 0 H VAL A 80 63.912 -1.536 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 80 63.280 -4.161 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 80 64.423 -4.867 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.511 -3.372 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.328 -3.618 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.253 -2.100 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.955 -3.365 -4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.699 -2.094 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.517 -3.608 -2.791 1.00 0.00 H new ATOM 1180 N MET A 81 66.187 -2.825 -0.589 1.00 0.00 N ATOM 1181 CA MET A 81 67.402 -3.025 0.251 1.00 0.00 C ATOM 1182 C MET A 81 67.028 -2.933 1.734 1.00 0.00 C ATOM 1183 O MET A 81 67.282 -3.835 2.506 1.00 0.00 O ATOM 1184 CB MET A 81 68.346 -1.886 -0.139 1.00 0.00 C ATOM 1185 CG MET A 81 69.411 -2.410 -1.106 1.00 0.00 C ATOM 1186 SD MET A 81 68.684 -2.624 -2.750 1.00 0.00 S ATOM 1187 CE MET A 81 69.543 -4.157 -3.182 1.00 0.00 C ATOM 0 H MET A 81 66.115 -1.912 -1.039 1.00 0.00 H new ATOM 0 HA MET A 81 67.862 -4.001 0.096 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.783 -1.077 -0.605 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.820 -1.472 0.751 1.00 0.00 H new ATOM 0 HG2 MET A 81 70.247 -1.713 -1.155 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.808 -3.359 -0.746 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.823 -4.885 -3.556 1.00 0.00 H new ATOM 0 HE2 MET A 81 70.286 -3.953 -3.953 1.00 0.00 H new ATOM 0 HE3 MET A 81 70.038 -4.558 -2.298 1.00 0.00 H new ATOM 1197 N MET A 82 66.423 -1.847 2.134 1.00 0.00 N ATOM 1198 CA MET A 82 66.030 -1.695 3.566 1.00 0.00 C ATOM 1199 C MET A 82 65.107 -2.843 3.988 1.00 0.00 C ATOM 1200 O MET A 82 65.106 -3.263 5.127 1.00 0.00 O ATOM 1201 CB MET A 82 65.284 -0.361 3.645 1.00 0.00 C ATOM 1202 CG MET A 82 64.324 -0.230 2.461 1.00 0.00 C ATOM 1203 SD MET A 82 62.656 0.115 3.072 1.00 0.00 S ATOM 1204 CE MET A 82 62.619 1.875 2.652 1.00 0.00 C ATOM 0 H MET A 82 66.184 -1.059 1.532 1.00 0.00 H new ATOM 0 HA MET A 82 66.896 -1.717 4.228 1.00 0.00 H new ATOM 0 HB2 MET A 82 64.730 -0.299 4.582 1.00 0.00 H new ATOM 0 HB3 MET A 82 65.996 0.464 3.640 1.00 0.00 H new ATOM 0 HG2 MET A 82 64.653 0.571 1.799 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.325 -1.149 1.875 1.00 0.00 H new ATOM 0 HE1 MET A 82 61.586 2.221 2.626 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.172 2.440 3.402 1.00 0.00 H new ATOM 0 HE3 MET A 82 63.077 2.025 1.674 1.00 0.00 H new ATOM 1214 N VAL A 83 64.320 -3.349 3.079 1.00 0.00 N ATOM 1215 CA VAL A 83 63.396 -4.464 3.431 1.00 0.00 C ATOM 1216 C VAL A 83 64.130 -5.804 3.361 1.00 0.00 C ATOM 1217 O VAL A 83 64.327 -6.466 4.361 1.00 0.00 O ATOM 1218 CB VAL A 83 62.290 -4.401 2.382 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.377 -5.620 2.528 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.475 -3.121 2.587 1.00 0.00 C ATOM 0 H VAL A 83 64.277 -3.039 2.108 1.00 0.00 H new ATOM 0 HA VAL A 83 63.004 -4.373 4.444 1.00 0.00 H new ATOM 0 HB VAL A 83 62.730 -4.399 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.587 -5.575 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.960 -6.530 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.933 -5.625 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.683 -3.070 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.034 -3.126 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.127 -2.254 2.483 1.00 0.00 H new ATOM 1230 N ARG A 84 64.535 -6.209 2.188 1.00 0.00 N ATOM 1231 CA ARG A 84 65.258 -7.507 2.060 1.00 0.00 C ATOM 1232 C ARG A 84 66.277 -7.648 3.192 1.00 0.00 C ATOM 1233 O ARG A 84 66.584 -8.738 3.632 1.00 0.00 O ATOM 1234 CB ARG A 84 65.956 -7.435 0.703 1.00 0.00 C ATOM 1235 CG ARG A 84 64.903 -7.343 -0.402 1.00 0.00 C ATOM 1236 CD ARG A 84 64.519 -8.750 -0.863 1.00 0.00 C ATOM 1237 NE ARG A 84 63.134 -8.956 -0.354 1.00 0.00 N ATOM 1238 CZ ARG A 84 62.600 -10.146 -0.381 1.00 0.00 C ATOM 1239 NH1 ARG A 84 62.901 -11.018 0.543 1.00 0.00 N ATOM 1240 NH2 ARG A 84 61.763 -10.464 -1.330 1.00 0.00 N ATOM 0 H ARG A 84 64.397 -5.699 1.315 1.00 0.00 H new ATOM 0 HA ARG A 84 64.592 -8.368 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.616 -6.568 0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.580 -8.317 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.022 -6.816 -0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.292 -6.768 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.557 -8.834 -1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 84 65.203 -9.498 -0.461 1.00 0.00 H new ATOM 0 HE ARG A 84 62.604 -8.167 0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 84 63.554 -10.769 1.286 1.00 0.00 H new ATOM 0 HH12 ARG A 84 62.483 -11.948 0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 84 61.526 -9.782 -2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 84 61.345 -11.394 -1.351 1.00 0.00 H new ATOM 1254 N GLN A 85 66.792 -6.551 3.678 1.00 0.00 N ATOM 1255 CA GLN A 85 67.777 -6.622 4.793 1.00 0.00 C ATOM 1256 C GLN A 85 67.038 -6.855 6.112 1.00 0.00 C ATOM 1257 O GLN A 85 67.370 -7.740 6.875 1.00 0.00 O ATOM 1258 CB GLN A 85 68.476 -5.263 4.801 1.00 0.00 C ATOM 1259 CG GLN A 85 69.643 -5.297 5.788 1.00 0.00 C ATOM 1260 CD GLN A 85 70.525 -6.513 5.494 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.046 -7.135 6.400 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.717 -6.881 4.257 1.00 0.00 N ATOM 0 H GLN A 85 66.573 -5.610 3.351 1.00 0.00 H new ATOM 0 HA GLN A 85 68.490 -7.437 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.838 -5.022 3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.771 -4.481 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.229 -4.381 5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.267 -5.345 6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.281 -6.360 3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.304 -7.690 4.051 1.00 0.00 H new ATOM 1271 N MET A 86 66.029 -6.069 6.379 1.00 0.00 N ATOM 1272 CA MET A 86 65.261 -6.252 7.642 1.00 0.00 C ATOM 1273 C MET A 86 64.596 -7.627 7.647 1.00 0.00 C ATOM 1274 O MET A 86 64.370 -8.216 8.684 1.00 0.00 O ATOM 1275 CB MET A 86 64.204 -5.150 7.634 1.00 0.00 C ATOM 1276 CG MET A 86 64.476 -4.171 8.776 1.00 0.00 C ATOM 1277 SD MET A 86 62.923 -3.794 9.627 1.00 0.00 S ATOM 1278 CE MET A 86 63.636 -3.409 11.245 1.00 0.00 C ATOM 0 H MET A 86 65.705 -5.311 5.778 1.00 0.00 H new ATOM 0 HA MET A 86 65.897 -6.194 8.525 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.219 -4.624 6.679 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.210 -5.584 7.743 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.192 -4.602 9.476 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.922 -3.256 8.387 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.839 -3.144 11.940 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.172 -4.280 11.623 1.00 0.00 H new ATOM 0 HE3 MET A 86 64.327 -2.571 11.148 1.00 0.00 H new ATOM 1288 N LYS A 87 64.285 -8.149 6.491 1.00 0.00 N ATOM 1289 CA LYS A 87 63.642 -9.490 6.439 1.00 0.00 C ATOM 1290 C LYS A 87 64.435 -10.458 7.316 1.00 0.00 C ATOM 1291 O LYS A 87 63.903 -11.406 7.859 1.00 0.00 O ATOM 1292 CB LYS A 87 63.712 -9.905 4.968 1.00 0.00 C ATOM 1293 CG LYS A 87 62.448 -9.437 4.245 1.00 0.00 C ATOM 1294 CD LYS A 87 61.389 -10.541 4.302 1.00 0.00 C ATOM 1295 CE LYS A 87 60.081 -10.028 3.696 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.241 -11.244 3.513 1.00 0.00 N ATOM 0 H LYS A 87 64.448 -7.707 5.586 1.00 0.00 H new ATOM 0 HA LYS A 87 62.614 -9.486 6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.594 -9.471 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.809 -10.988 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.066 -8.528 4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.679 -9.193 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.735 -11.419 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.227 -10.850 5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 87 59.596 -9.308 4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.257 -9.523 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.325 -10.974 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.726 -11.908 2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.085 -11.700 4.435 1.00 0.00 H new ATOM 1310 N GLU A 88 65.707 -10.210 7.468 1.00 0.00 N ATOM 1311 CA GLU A 88 66.550 -11.094 8.320 1.00 0.00 C ATOM 1312 C GLU A 88 66.731 -10.460 9.702 1.00 0.00 C ATOM 1313 O GLU A 88 66.768 -11.139 10.709 1.00 0.00 O ATOM 1314 CB GLU A 88 67.890 -11.183 7.591 1.00 0.00 C ATOM 1315 CG GLU A 88 67.797 -12.226 6.476 1.00 0.00 C ATOM 1316 CD GLU A 88 68.382 -11.646 5.186 1.00 0.00 C ATOM 1317 OE1 GLU A 88 67.645 -10.989 4.469 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.555 -11.869 4.938 1.00 0.00 O ATOM 0 H GLU A 88 66.201 -9.429 7.036 1.00 0.00 H new ATOM 0 HA GLU A 88 66.105 -12.078 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.154 -10.211 7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.680 -11.454 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.339 -13.128 6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 88 66.758 -12.515 6.319 1.00 0.00 H new ATOM 1325 N ASP A 89 66.842 -9.159 9.755 1.00 0.00 N ATOM 1326 CA ASP A 89 67.020 -8.476 11.068 1.00 0.00 C ATOM 1327 C ASP A 89 65.683 -8.405 11.811 1.00 0.00 C ATOM 1328 O ASP A 89 65.635 -8.411 13.025 1.00 0.00 O ATOM 1329 CB ASP A 89 67.516 -7.072 10.722 1.00 0.00 C ATOM 1330 CG ASP A 89 68.154 -6.435 11.957 1.00 0.00 C ATOM 1331 OD1 ASP A 89 69.317 -6.706 12.207 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.469 -5.686 12.635 1.00 0.00 O ATOM 0 H ASP A 89 66.817 -8.540 8.945 1.00 0.00 H new ATOM 0 HA ASP A 89 67.718 -9.005 11.717 1.00 0.00 H new ATOM 0 HB2 ASP A 89 68.241 -7.121 9.910 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.686 -6.458 10.371 1.00 0.00 H new ATOM 1337 N ALA A 90 64.598 -8.338 11.090 1.00 0.00 N ATOM 1338 CA ALA A 90 63.264 -8.267 11.754 1.00 0.00 C ATOM 1339 C ALA A 90 63.031 -9.517 12.607 1.00 0.00 C ATOM 1340 O ALA A 90 62.884 -9.370 13.810 1.00 0.00 O ATOM 1341 CB ALA A 90 62.254 -8.204 10.608 1.00 0.00 C ATOM 1342 OXT ALA A 90 63.004 -10.599 12.045 1.00 0.00 O ATOM 0 H ALA A 90 64.576 -8.329 10.070 1.00 0.00 H new ATOM 0 HA ALA A 90 63.179 -7.408 12.420 1.00 0.00 H new ATOM 0 HB1 ALA A 90 61.244 -8.150 11.015 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.448 -7.320 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 90 62.348 -9.097 9.990 1.00 0.00 H new