USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 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 51 GLN : amide:sc= -9.28! C(o=-9.5!,f=-14!) USER MOD Set 1.2: A 86 MET CE :methyl -148:sc= -0.238 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.75! C(o=-2.7!,f=-9.7!) USER MOD Single : A 7 GLN :FLIP amide:sc= -2.5! C(o=-4!,f=-2.5!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0542 USER MOD Single : A 18 MET CE :methyl -135:sc= -0.59 (180deg=-1.02) USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= -0.0364 (180deg=-0.692) USER MOD Single : A 28 MET CE :methyl 164:sc= 0 (180deg=-0.491) USER MOD Single : A 38 SER OG : rot 180:sc= 0.086 USER MOD Single : A 39 THR OG1 : rot -170:sc= 1.14 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 146:sc= -2.96 (180deg=-5.54!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.9! C(o=-3.9!,f=-4.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00972 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 0:sc= 0.837 USER MOD Single : A 81 MET CE :methyl -106:sc= -6.81! (180deg=-8.06!) USER MOD Single : A 82 MET CE :methyl 154:sc= -9.49! (180deg=-11.6!) USER MOD Single : A 85 GLN : amide:sc= -10.8! C(o=-11!,f=-17!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.906 -7.264 -10.577 1.00 0.00 N ATOM 25 CA MET A 3 64.749 -6.368 -9.397 1.00 0.00 C ATOM 26 C MET A 3 63.579 -5.405 -9.616 1.00 0.00 C ATOM 27 O MET A 3 62.812 -5.127 -8.715 1.00 0.00 O ATOM 28 CB MET A 3 66.066 -5.597 -9.313 1.00 0.00 C ATOM 29 CG MET A 3 66.940 -6.194 -8.209 1.00 0.00 C ATOM 30 SD MET A 3 67.073 -7.983 -8.445 1.00 0.00 S ATOM 31 CE MET A 3 68.002 -8.340 -6.934 1.00 0.00 C ATOM 0 HA MET A 3 64.538 -6.921 -8.482 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.588 -5.643 -10.269 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.871 -4.545 -9.107 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.930 -5.739 -8.229 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.509 -5.977 -7.232 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.199 -9.410 -6.872 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.947 -7.797 -6.951 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.420 -8.028 -6.067 1.00 0.00 H new ATOM 41 N THR A 4 63.436 -4.894 -10.808 1.00 0.00 N ATOM 42 CA THR A 4 62.316 -3.949 -11.087 1.00 0.00 C ATOM 43 C THR A 4 60.986 -4.553 -10.628 1.00 0.00 C ATOM 44 O THR A 4 60.017 -3.852 -10.414 1.00 0.00 O ATOM 45 CB THR A 4 62.325 -3.761 -12.604 1.00 0.00 C ATOM 46 OG1 THR A 4 61.320 -2.826 -12.969 1.00 0.00 O ATOM 47 CG2 THR A 4 62.051 -5.100 -13.289 1.00 0.00 C ATOM 0 H THR A 4 64.046 -5.090 -11.602 1.00 0.00 H new ATOM 0 HA THR A 4 62.433 -3.003 -10.558 1.00 0.00 H new ATOM 0 HB THR A 4 63.300 -3.389 -12.918 1.00 0.00 H new ATOM 0 HG1 THR A 4 61.325 -2.703 -13.941 1.00 0.00 H new ATOM 0 HG21 THR A 4 62.058 -4.964 -14.370 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.823 -5.817 -13.009 1.00 0.00 H new ATOM 0 HG23 THR A 4 61.077 -5.476 -12.977 1.00 0.00 H new ATOM 55 N ASP A 5 60.934 -5.847 -10.475 1.00 0.00 N ATOM 56 CA ASP A 5 59.665 -6.495 -10.031 1.00 0.00 C ATOM 57 C ASP A 5 59.594 -6.529 -8.502 1.00 0.00 C ATOM 58 O ASP A 5 58.615 -6.124 -7.908 1.00 0.00 O ATOM 59 CB ASP A 5 59.729 -7.914 -10.596 1.00 0.00 C ATOM 60 CG ASP A 5 58.312 -8.475 -10.731 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.636 -8.105 -11.676 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.926 -9.265 -9.884 1.00 0.00 O ATOM 0 H ASP A 5 61.714 -6.484 -10.638 1.00 0.00 H new ATOM 0 HA ASP A 5 58.783 -5.956 -10.377 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.223 -7.908 -11.568 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.323 -8.551 -9.941 1.00 0.00 H new ATOM 67 N GLN A 6 60.624 -7.010 -7.863 1.00 0.00 N ATOM 68 CA GLN A 6 60.616 -7.072 -6.372 1.00 0.00 C ATOM 69 C GLN A 6 60.536 -5.661 -5.781 1.00 0.00 C ATOM 70 O GLN A 6 60.312 -5.485 -4.600 1.00 0.00 O ATOM 71 CB GLN A 6 61.940 -7.738 -5.997 1.00 0.00 C ATOM 72 CG GLN A 6 61.669 -9.140 -5.447 1.00 0.00 C ATOM 73 CD GLN A 6 60.768 -9.904 -6.419 1.00 0.00 C ATOM 74 OE1 GLN A 6 60.575 -9.487 -7.543 1.00 0.00 O ATOM 75 NE2 GLN A 6 60.203 -11.015 -6.030 1.00 0.00 N ATOM 0 H GLN A 6 61.471 -7.363 -8.307 1.00 0.00 H new ATOM 0 HA GLN A 6 59.758 -7.624 -5.987 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.589 -7.798 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.463 -7.138 -5.252 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.608 -9.675 -5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.192 -9.073 -4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 6 60.365 -11.366 -5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 6 59.600 -11.532 -6.670 1.00 0.00 H new ATOM 84 N GLN A 7 60.718 -4.654 -6.591 1.00 0.00 N ATOM 85 CA GLN A 7 60.650 -3.259 -6.069 1.00 0.00 C ATOM 86 C GLN A 7 59.215 -2.920 -5.658 1.00 0.00 C ATOM 87 O GLN A 7 58.920 -2.730 -4.495 1.00 0.00 O ATOM 88 CB GLN A 7 61.096 -2.374 -7.235 1.00 0.00 C ATOM 89 CG GLN A 7 60.843 -0.906 -6.887 1.00 0.00 C ATOM 90 CD GLN A 7 59.839 -0.311 -7.878 1.00 0.00 C ATOM 91 OE1 GLN A 7 58.592 -0.172 -7.520 1.00 0.00 O flip ATOM 92 NE2 GLN A 7 60.195 0.031 -8.988 1.00 0.00 N flip ATOM 0 H GLN A 7 60.910 -4.736 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 7 61.277 -3.117 -5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 7 62.154 -2.533 -7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 7 60.551 -2.644 -8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.459 -0.823 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.778 -0.347 -6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 7 61.170 -0.078 -9.267 1.00 0.00 H new ATOM 0 HE22 GLN A 7 59.519 0.427 -9.641 1.00 0.00 H new ATOM 101 N ALA A 8 58.321 -2.844 -6.605 1.00 0.00 N ATOM 102 CA ALA A 8 56.905 -2.520 -6.270 1.00 0.00 C ATOM 103 C ALA A 8 56.422 -3.403 -5.117 1.00 0.00 C ATOM 104 O ALA A 8 55.671 -2.973 -4.263 1.00 0.00 O ATOM 105 CB ALA A 8 56.116 -2.820 -7.544 1.00 0.00 C ATOM 0 H ALA A 8 58.509 -2.992 -7.596 1.00 0.00 H new ATOM 0 HA ALA A 8 56.782 -1.485 -5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.060 -2.606 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.488 -2.198 -8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.236 -3.871 -7.807 1.00 0.00 H new ATOM 111 N GLU A 9 56.846 -4.636 -5.085 1.00 0.00 N ATOM 112 CA GLU A 9 56.413 -5.547 -3.987 1.00 0.00 C ATOM 113 C GLU A 9 57.317 -5.367 -2.766 1.00 0.00 C ATOM 114 O GLU A 9 56.978 -5.761 -1.668 1.00 0.00 O ATOM 115 CB GLU A 9 56.561 -6.956 -4.562 1.00 0.00 C ATOM 116 CG GLU A 9 55.290 -7.759 -4.280 1.00 0.00 C ATOM 117 CD GLU A 9 55.282 -9.022 -5.143 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.350 -9.445 -5.550 1.00 0.00 O ATOM 119 OE2 GLU A 9 54.205 -9.546 -5.381 1.00 0.00 O ATOM 0 H GLU A 9 57.474 -5.053 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 9 55.393 -5.346 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.741 -6.905 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.424 -7.453 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.243 -8.027 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.409 -7.153 -4.495 1.00 0.00 H new ATOM 126 N ALA A 10 58.464 -4.773 -2.947 1.00 0.00 N ATOM 127 CA ALA A 10 59.389 -4.566 -1.797 1.00 0.00 C ATOM 128 C ALA A 10 58.830 -3.495 -0.855 1.00 0.00 C ATOM 129 O ALA A 10 59.149 -3.457 0.316 1.00 0.00 O ATOM 130 CB ALA A 10 60.702 -4.096 -2.424 1.00 0.00 C ATOM 0 H ALA A 10 58.801 -4.421 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 10 59.521 -5.472 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.438 -3.921 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.074 -4.861 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.532 -3.171 -2.974 1.00 0.00 H new ATOM 136 N ARG A 11 57.997 -2.624 -1.359 1.00 0.00 N ATOM 137 CA ARG A 11 57.420 -1.555 -0.491 1.00 0.00 C ATOM 138 C ARG A 11 56.094 -2.030 0.109 1.00 0.00 C ATOM 139 O ARG A 11 55.791 -1.772 1.258 1.00 0.00 O ATOM 140 CB ARG A 11 57.174 -0.352 -1.410 1.00 0.00 C ATOM 141 CG ARG A 11 58.278 -0.249 -2.469 1.00 0.00 C ATOM 142 CD ARG A 11 57.686 -0.561 -3.844 1.00 0.00 C ATOM 143 NE ARG A 11 56.821 0.610 -4.161 1.00 0.00 N ATOM 144 CZ ARG A 11 56.119 0.626 -5.260 1.00 0.00 C ATOM 145 NH1 ARG A 11 55.098 -0.174 -5.395 1.00 0.00 N ATOM 146 NH2 ARG A 11 56.438 1.444 -6.227 1.00 0.00 N ATOM 0 H ARG A 11 57.691 -2.606 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 11 58.088 -1.302 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.204 -0.451 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 11 57.142 0.564 -0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.711 0.751 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 11 59.084 -0.946 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.469 -0.689 -4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 11 57.109 -1.486 -3.826 1.00 0.00 H new ATOM 0 HE ARG A 11 56.778 1.400 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.848 -0.813 -4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.550 -0.161 -6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 11 57.236 2.070 -6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 11 55.889 1.456 -7.086 1.00 0.00 H new ATOM 160 N ALA A 12 55.300 -2.716 -0.664 1.00 0.00 N ATOM 161 CA ALA A 12 53.990 -3.204 -0.146 1.00 0.00 C ATOM 162 C ALA A 12 54.186 -3.954 1.174 1.00 0.00 C ATOM 163 O ALA A 12 53.273 -4.085 1.964 1.00 0.00 O ATOM 164 CB ALA A 12 53.466 -4.146 -1.228 1.00 0.00 C ATOM 0 H ALA A 12 55.501 -2.961 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 12 53.296 -2.389 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.501 -4.550 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.351 -3.598 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.172 -4.964 -1.372 1.00 0.00 H new ATOM 170 N PHE A 13 55.370 -4.443 1.420 1.00 0.00 N ATOM 171 CA PHE A 13 55.619 -5.180 2.691 1.00 0.00 C ATOM 172 C PHE A 13 55.346 -4.270 3.890 1.00 0.00 C ATOM 173 O PHE A 13 54.698 -4.657 4.843 1.00 0.00 O ATOM 174 CB PHE A 13 57.097 -5.567 2.643 1.00 0.00 C ATOM 175 CG PHE A 13 57.525 -6.060 4.003 1.00 0.00 C ATOM 176 CD1 PHE A 13 56.817 -7.092 4.627 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.629 -5.481 4.643 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.211 -7.549 5.890 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.024 -5.938 5.906 1.00 0.00 C ATOM 180 CZ PHE A 13 58.315 -6.972 6.530 1.00 0.00 C ATOM 0 H PHE A 13 56.174 -4.365 0.798 1.00 0.00 H new ATOM 0 HA PHE A 13 54.972 -6.051 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.258 -6.343 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.701 -4.709 2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 13 55.965 -7.537 4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.175 -4.683 4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 13 56.664 -8.346 6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.876 -5.493 6.399 1.00 0.00 H new ATOM 0 HZ PHE A 13 58.619 -7.324 7.504 1.00 0.00 H new ATOM 190 N LEU A 14 55.839 -3.062 3.852 1.00 0.00 N ATOM 191 CA LEU A 14 55.611 -2.126 4.989 1.00 0.00 C ATOM 192 C LEU A 14 54.595 -1.050 4.595 1.00 0.00 C ATOM 193 O LEU A 14 54.715 -0.416 3.567 1.00 0.00 O ATOM 194 CB LEU A 14 56.978 -1.498 5.262 1.00 0.00 C ATOM 195 CG LEU A 14 58.028 -2.602 5.403 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.407 -1.974 5.607 1.00 0.00 C ATOM 197 CD2 LEU A 14 57.684 -3.481 6.606 1.00 0.00 C ATOM 0 H LEU A 14 56.390 -2.683 3.082 1.00 0.00 H new ATOM 0 HA LEU A 14 55.211 -2.632 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.250 -0.825 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.940 -0.899 6.172 1.00 0.00 H new ATOM 0 HG LEU A 14 58.038 -3.211 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.154 -2.761 5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.652 -1.348 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.399 -1.364 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.431 -4.268 6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 14 57.673 -2.872 7.510 1.00 0.00 H new ATOM 0 HD23 LEU A 14 56.702 -3.930 6.459 1.00 0.00 H new ATOM 209 N SER A 15 53.594 -0.840 5.408 1.00 0.00 N ATOM 210 CA SER A 15 52.573 0.195 5.080 1.00 0.00 C ATOM 211 C SER A 15 53.132 1.594 5.352 1.00 0.00 C ATOM 212 O SER A 15 54.203 1.747 5.906 1.00 0.00 O ATOM 213 CB SER A 15 51.397 -0.102 6.011 1.00 0.00 C ATOM 214 OG SER A 15 51.810 0.077 7.359 1.00 0.00 O ATOM 0 H SER A 15 53.440 -1.340 6.284 1.00 0.00 H new ATOM 0 HA SER A 15 52.280 0.169 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 15 50.562 0.560 5.783 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.046 -1.123 5.858 1.00 0.00 H new ATOM 0 HG SER A 15 51.058 -0.111 7.959 1.00 0.00 H new ATOM 220 N GLU A 16 52.418 2.616 4.966 1.00 0.00 N ATOM 221 CA GLU A 16 52.914 4.002 5.205 1.00 0.00 C ATOM 222 C GLU A 16 53.442 4.133 6.636 1.00 0.00 C ATOM 223 O GLU A 16 54.402 4.832 6.892 1.00 0.00 O ATOM 224 CB GLU A 16 51.695 4.901 4.998 1.00 0.00 C ATOM 225 CG GLU A 16 52.010 6.311 5.500 1.00 0.00 C ATOM 226 CD GLU A 16 50.966 7.291 4.962 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.825 6.888 4.813 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.325 8.429 4.709 1.00 0.00 O ATOM 0 H GLU A 16 51.515 2.552 4.497 1.00 0.00 H new ATOM 0 HA GLU A 16 53.734 4.269 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.427 4.931 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.836 4.496 5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.012 6.328 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 16 53.006 6.610 5.174 1.00 0.00 H new ATOM 235 N GLU A 17 52.821 3.467 7.571 1.00 0.00 N ATOM 236 CA GLU A 17 53.287 3.553 8.984 1.00 0.00 C ATOM 237 C GLU A 17 54.809 3.407 9.050 1.00 0.00 C ATOM 238 O GLU A 17 55.508 4.283 9.520 1.00 0.00 O ATOM 239 CB GLU A 17 52.607 2.386 9.698 1.00 0.00 C ATOM 240 CG GLU A 17 53.107 2.309 11.141 1.00 0.00 C ATOM 241 CD GLU A 17 51.969 1.842 12.051 1.00 0.00 C ATOM 242 OE1 GLU A 17 50.873 2.357 11.907 1.00 0.00 O ATOM 243 OE2 GLU A 17 52.214 0.977 12.876 1.00 0.00 O ATOM 0 H GLU A 17 52.011 2.867 7.417 1.00 0.00 H new ATOM 0 HA GLU A 17 53.040 4.511 9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.525 2.518 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.821 1.453 9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.948 1.619 11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.468 3.285 11.465 1.00 0.00 H new ATOM 250 N MET A 18 55.328 2.306 8.579 1.00 0.00 N ATOM 251 CA MET A 18 56.804 2.104 8.613 1.00 0.00 C ATOM 252 C MET A 18 57.468 2.860 7.459 1.00 0.00 C ATOM 253 O MET A 18 58.453 3.547 7.642 1.00 0.00 O ATOM 254 CB MET A 18 57.001 0.597 8.453 1.00 0.00 C ATOM 255 CG MET A 18 58.496 0.284 8.365 1.00 0.00 C ATOM 256 SD MET A 18 58.979 -0.749 9.771 1.00 0.00 S ATOM 257 CE MET A 18 59.254 0.592 10.953 1.00 0.00 C ATOM 0 H MET A 18 54.794 1.538 8.172 1.00 0.00 H new ATOM 0 HA MET A 18 57.251 2.477 9.534 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.557 0.070 9.298 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.492 0.246 7.555 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.717 -0.230 7.429 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.073 1.209 8.364 1.00 0.00 H new ATOM 0 HE1 MET A 18 60.186 0.417 11.491 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.316 1.540 10.419 1.00 0.00 H new ATOM 0 HE3 MET A 18 58.427 0.628 11.662 1.00 0.00 H new ATOM 267 N ILE A 19 56.936 2.741 6.273 1.00 0.00 N ATOM 268 CA ILE A 19 57.541 3.459 5.115 1.00 0.00 C ATOM 269 C ILE A 19 57.892 4.893 5.517 1.00 0.00 C ATOM 270 O ILE A 19 58.908 5.430 5.120 1.00 0.00 O ATOM 271 CB ILE A 19 56.465 3.452 4.030 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.257 2.019 3.529 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.910 4.340 2.866 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.439 2.039 2.235 1.00 0.00 C ATOM 0 H ILE A 19 56.112 2.180 6.056 1.00 0.00 H new ATOM 0 HA ILE A 19 58.461 2.988 4.771 1.00 0.00 H new ATOM 0 HB ILE A 19 55.530 3.833 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.221 1.541 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.742 1.429 4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 19 56.143 4.336 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 19 57.060 5.359 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.844 3.959 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.293 1.018 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.470 2.500 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.972 2.613 1.477 1.00 0.00 H new ATOM 286 N ALA A 20 57.060 5.517 6.306 1.00 0.00 N ATOM 287 CA ALA A 20 57.349 6.915 6.735 1.00 0.00 C ATOM 288 C ALA A 20 58.541 6.929 7.696 1.00 0.00 C ATOM 289 O ALA A 20 59.246 7.911 7.810 1.00 0.00 O ATOM 290 CB ALA A 20 56.080 7.381 7.449 1.00 0.00 C ATOM 0 H ALA A 20 56.194 5.120 6.671 1.00 0.00 H new ATOM 0 HA ALA A 20 57.604 7.563 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.213 8.406 7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.238 7.339 6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.883 6.732 8.302 1.00 0.00 H new ATOM 296 N GLU A 21 58.770 5.844 8.383 1.00 0.00 N ATOM 297 CA GLU A 21 59.916 5.791 9.335 1.00 0.00 C ATOM 298 C GLU A 21 61.241 5.835 8.568 1.00 0.00 C ATOM 299 O GLU A 21 62.162 6.534 8.943 1.00 0.00 O ATOM 300 CB GLU A 21 59.762 4.457 10.065 1.00 0.00 C ATOM 301 CG GLU A 21 60.981 4.221 10.961 1.00 0.00 C ATOM 302 CD GLU A 21 60.595 3.292 12.113 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.526 3.482 12.670 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.375 2.405 12.420 1.00 0.00 O ATOM 0 H GLU A 21 58.213 4.991 8.327 1.00 0.00 H new ATOM 0 HA GLU A 21 59.921 6.634 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.852 4.462 10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.665 3.645 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.792 3.781 10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.347 5.170 11.352 1.00 0.00 H new ATOM 311 N PHE A 22 61.344 5.095 7.499 1.00 0.00 N ATOM 312 CA PHE A 22 62.610 5.097 6.710 1.00 0.00 C ATOM 313 C PHE A 22 62.727 6.392 5.902 1.00 0.00 C ATOM 314 O PHE A 22 63.790 6.752 5.436 1.00 0.00 O ATOM 315 CB PHE A 22 62.499 3.889 5.776 1.00 0.00 C ATOM 316 CG PHE A 22 62.246 2.629 6.578 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.355 2.644 7.977 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.900 1.444 5.919 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.119 1.475 8.710 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.666 0.275 6.653 1.00 0.00 C ATOM 321 CZ PHE A 22 61.774 0.291 8.049 1.00 0.00 C ATOM 0 H PHE A 22 60.608 4.489 7.137 1.00 0.00 H new ATOM 0 HA PHE A 22 63.493 5.039 7.346 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.689 4.044 5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.416 3.782 5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.621 3.557 8.488 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.813 1.431 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.203 1.487 9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.402 -0.639 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.591 -0.610 8.615 1.00 0.00 H new ATOM 331 N LYS A 23 61.641 7.098 5.735 1.00 0.00 N ATOM 332 CA LYS A 23 61.691 8.371 4.959 1.00 0.00 C ATOM 333 C LYS A 23 62.571 9.394 5.681 1.00 0.00 C ATOM 334 O LYS A 23 63.628 9.761 5.209 1.00 0.00 O ATOM 335 CB LYS A 23 60.243 8.857 4.900 1.00 0.00 C ATOM 336 CG LYS A 23 59.484 8.071 3.828 1.00 0.00 C ATOM 337 CD LYS A 23 59.894 8.571 2.442 1.00 0.00 C ATOM 338 CE LYS A 23 58.670 9.144 1.724 1.00 0.00 C ATOM 339 NZ LYS A 23 57.769 7.977 1.511 1.00 0.00 N ATOM 0 H LYS A 23 60.722 6.849 6.102 1.00 0.00 H new ATOM 0 HA LYS A 23 62.114 8.232 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.764 8.725 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.215 9.923 4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.700 7.007 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.410 8.191 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.666 9.335 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.321 7.754 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.184 9.914 2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.948 9.606 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.231 8.110 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 58.337 7.108 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 57.109 7.897 2.311 1.00 0.00 H new ATOM 353 N ALA A 24 62.143 9.856 6.825 1.00 0.00 N ATOM 354 CA ALA A 24 62.957 10.854 7.577 1.00 0.00 C ATOM 355 C ALA A 24 64.357 10.295 7.845 1.00 0.00 C ATOM 356 O ALA A 24 65.296 11.030 8.078 1.00 0.00 O ATOM 357 CB ALA A 24 62.205 11.070 8.890 1.00 0.00 C ATOM 0 H ALA A 24 61.266 9.586 7.271 1.00 0.00 H new ATOM 0 HA ALA A 24 63.086 11.785 7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.742 11.794 9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.204 11.445 8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.132 10.124 9.427 1.00 0.00 H new ATOM 363 N ALA A 25 64.504 8.998 7.811 1.00 0.00 N ATOM 364 CA ALA A 25 65.843 8.393 8.063 1.00 0.00 C ATOM 365 C ALA A 25 66.630 8.295 6.753 1.00 0.00 C ATOM 366 O ALA A 25 67.791 8.648 6.687 1.00 0.00 O ATOM 367 CB ALA A 25 65.549 7.000 8.619 1.00 0.00 C ATOM 0 H ALA A 25 63.755 8.332 7.620 1.00 0.00 H new ATOM 0 HA ALA A 25 66.444 8.987 8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.487 6.487 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.969 7.090 9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.981 6.428 7.886 1.00 0.00 H new ATOM 373 N PHE A 26 66.008 7.818 5.710 1.00 0.00 N ATOM 374 CA PHE A 26 66.720 7.699 4.406 1.00 0.00 C ATOM 375 C PHE A 26 67.061 9.090 3.862 1.00 0.00 C ATOM 376 O PHE A 26 68.082 9.288 3.233 1.00 0.00 O ATOM 377 CB PHE A 26 65.734 6.985 3.479 1.00 0.00 C ATOM 378 CG PHE A 26 66.185 7.141 2.047 1.00 0.00 C ATOM 379 CD1 PHE A 26 67.121 6.251 1.507 1.00 0.00 C ATOM 380 CD2 PHE A 26 65.670 8.179 1.261 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.541 6.398 0.180 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.090 8.326 -0.067 1.00 0.00 C ATOM 383 CZ PHE A 26 67.026 7.435 -0.607 1.00 0.00 C ATOM 0 H PHE A 26 65.037 7.505 5.704 1.00 0.00 H new ATOM 0 HA PHE A 26 67.660 7.154 4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.674 5.928 3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.734 7.401 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 26 67.519 5.451 2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 26 64.949 8.866 1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 26 68.263 5.711 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 26 65.692 9.126 -0.674 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.351 7.548 -1.631 1.00 0.00 H new ATOM 393 N ASP A 27 66.215 10.054 4.099 1.00 0.00 N ATOM 394 CA ASP A 27 66.489 11.430 3.594 1.00 0.00 C ATOM 395 C ASP A 27 67.690 12.036 4.327 1.00 0.00 C ATOM 396 O ASP A 27 68.154 13.109 3.997 1.00 0.00 O ATOM 397 CB ASP A 27 65.218 12.224 3.900 1.00 0.00 C ATOM 398 CG ASP A 27 64.228 12.068 2.745 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.356 11.104 2.008 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.359 12.914 2.618 1.00 0.00 O ATOM 0 H ASP A 27 65.345 9.949 4.621 1.00 0.00 H new ATOM 0 HA ASP A 27 66.730 11.438 2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.769 11.869 4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.460 13.277 4.045 1.00 0.00 H new ATOM 405 N MET A 28 68.194 11.358 5.322 1.00 0.00 N ATOM 406 CA MET A 28 69.363 11.895 6.076 1.00 0.00 C ATOM 407 C MET A 28 70.554 12.104 5.138 1.00 0.00 C ATOM 408 O MET A 28 71.452 12.872 5.421 1.00 0.00 O ATOM 409 CB MET A 28 69.689 10.824 7.118 1.00 0.00 C ATOM 410 CG MET A 28 68.669 10.893 8.257 1.00 0.00 C ATOM 411 SD MET A 28 69.517 11.298 9.804 1.00 0.00 S ATOM 412 CE MET A 28 69.497 9.635 10.517 1.00 0.00 C ATOM 0 H MET A 28 67.847 10.455 5.646 1.00 0.00 H new ATOM 0 HA MET A 28 69.146 12.861 6.533 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.670 9.836 6.658 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.696 10.975 7.507 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.913 11.646 8.037 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.150 9.939 8.353 1.00 0.00 H new ATOM 0 HE1 MET A 28 70.210 9.583 11.340 1.00 0.00 H new ATOM 0 HE2 MET A 28 68.497 9.411 10.889 1.00 0.00 H new ATOM 0 HE3 MET A 28 69.771 8.908 9.753 1.00 0.00 H new ATOM 422 N PHE A 29 70.578 11.418 4.029 1.00 0.00 N ATOM 423 CA PHE A 29 71.724 11.571 3.083 1.00 0.00 C ATOM 424 C PHE A 29 71.227 12.056 1.717 1.00 0.00 C ATOM 425 O PHE A 29 71.855 11.830 0.703 1.00 0.00 O ATOM 426 CB PHE A 29 72.340 10.172 2.969 1.00 0.00 C ATOM 427 CG PHE A 29 72.330 9.504 4.324 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.413 9.668 5.195 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.230 8.732 4.712 1.00 0.00 C ATOM 430 CE1 PHE A 29 73.396 9.059 6.455 1.00 0.00 C ATOM 431 CE2 PHE A 29 71.212 8.122 5.970 1.00 0.00 C ATOM 432 CZ PHE A 29 72.294 8.286 6.843 1.00 0.00 C ATOM 0 H PHE A 29 69.857 10.759 3.735 1.00 0.00 H new ATOM 0 HA PHE A 29 72.449 12.306 3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.778 9.573 2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.361 10.242 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.262 10.264 4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.394 8.607 4.040 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.232 9.185 7.128 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.363 7.524 6.268 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.279 7.817 7.816 1.00 0.00 H new ATOM 442 N ASP A 30 70.107 12.724 1.686 1.00 0.00 N ATOM 443 CA ASP A 30 69.574 13.227 0.388 1.00 0.00 C ATOM 444 C ASP A 30 69.790 14.740 0.281 1.00 0.00 C ATOM 445 O ASP A 30 68.869 15.492 0.034 1.00 0.00 O ATOM 446 CB ASP A 30 68.082 12.900 0.418 1.00 0.00 C ATOM 447 CG ASP A 30 67.810 11.676 -0.460 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.278 11.663 -1.586 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.137 10.773 0.011 1.00 0.00 O ATOM 0 H ASP A 30 69.538 12.943 2.503 1.00 0.00 H new ATOM 0 HA ASP A 30 70.073 12.772 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.762 12.705 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.505 13.753 0.061 1.00 0.00 H new ATOM 490 N GLY A 35 65.426 12.131 -2.905 1.00 0.00 N ATOM 491 CA GLY A 35 64.708 10.865 -3.226 1.00 0.00 C ATOM 492 C GLY A 35 65.720 9.754 -3.511 1.00 0.00 C ATOM 493 O GLY A 35 65.383 8.587 -3.534 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.065 10.579 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.062 11.012 -4.091 1.00 0.00 H new ATOM 497 N ASP A 36 66.958 10.103 -3.729 1.00 0.00 N ATOM 498 CA ASP A 36 67.986 9.060 -4.013 1.00 0.00 C ATOM 499 C ASP A 36 69.359 9.514 -3.510 1.00 0.00 C ATOM 500 O ASP A 36 69.843 10.570 -3.868 1.00 0.00 O ATOM 501 CB ASP A 36 67.995 8.917 -5.537 1.00 0.00 C ATOM 502 CG ASP A 36 68.188 10.294 -6.177 1.00 0.00 C ATOM 503 OD1 ASP A 36 67.235 11.055 -6.200 1.00 0.00 O ATOM 504 OD2 ASP A 36 69.287 10.563 -6.633 1.00 0.00 O ATOM 0 H ASP A 36 67.303 11.063 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 36 67.763 8.117 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.796 8.245 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.059 8.474 -5.877 1.00 0.00 H new ATOM 509 N ILE A 37 69.990 8.724 -2.686 1.00 0.00 N ATOM 510 CA ILE A 37 71.333 9.108 -2.164 1.00 0.00 C ATOM 511 C ILE A 37 72.427 8.350 -2.921 1.00 0.00 C ATOM 512 O ILE A 37 72.157 7.417 -3.651 1.00 0.00 O ATOM 513 CB ILE A 37 71.318 8.702 -0.691 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.305 7.175 -0.585 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.068 9.269 -0.017 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.056 6.768 0.869 1.00 0.00 C ATOM 0 H ILE A 37 69.634 7.829 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 37 71.538 10.171 -2.289 1.00 0.00 H new ATOM 0 HB ILE A 37 72.206 9.095 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.528 6.762 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.255 6.767 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.058 8.979 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.075 10.356 -0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.179 8.876 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.046 5.681 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 37 71.849 7.170 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.095 7.163 1.198 1.00 0.00 H new ATOM 528 N SER A 38 73.661 8.741 -2.751 1.00 0.00 N ATOM 529 CA SER A 38 74.768 8.039 -3.463 1.00 0.00 C ATOM 530 C SER A 38 74.731 6.540 -3.147 1.00 0.00 C ATOM 531 O SER A 38 74.542 6.139 -2.015 1.00 0.00 O ATOM 532 CB SER A 38 76.050 8.670 -2.924 1.00 0.00 C ATOM 533 OG SER A 38 75.837 10.060 -2.714 1.00 0.00 O ATOM 0 H SER A 38 73.950 9.514 -2.152 1.00 0.00 H new ATOM 0 HA SER A 38 74.692 8.138 -4.546 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.341 8.190 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.868 8.518 -3.628 1.00 0.00 H new ATOM 0 HG SER A 38 76.658 10.468 -2.366 1.00 0.00 H new ATOM 539 N THR A 39 74.909 5.711 -4.138 1.00 0.00 N ATOM 540 CA THR A 39 74.883 4.240 -3.894 1.00 0.00 C ATOM 541 C THR A 39 75.900 3.864 -2.814 1.00 0.00 C ATOM 542 O THR A 39 75.828 2.806 -2.221 1.00 0.00 O ATOM 543 CB THR A 39 75.264 3.609 -5.234 1.00 0.00 C ATOM 544 OG1 THR A 39 76.418 4.257 -5.750 1.00 0.00 O ATOM 545 CG2 THR A 39 74.106 3.763 -6.220 1.00 0.00 C ATOM 0 H THR A 39 75.071 5.988 -5.106 1.00 0.00 H new ATOM 0 HA THR A 39 73.909 3.897 -3.545 1.00 0.00 H new ATOM 0 HB THR A 39 75.476 2.550 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.568 3.970 -6.675 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.379 3.313 -7.175 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.222 3.265 -5.823 1.00 0.00 H new ATOM 0 HG23 THR A 39 73.891 4.822 -6.366 1.00 0.00 H new ATOM 553 N LYS A 40 76.847 4.723 -2.553 1.00 0.00 N ATOM 554 CA LYS A 40 77.866 4.412 -1.510 1.00 0.00 C ATOM 555 C LYS A 40 77.325 4.768 -0.122 1.00 0.00 C ATOM 556 O LYS A 40 77.968 4.543 0.882 1.00 0.00 O ATOM 557 CB LYS A 40 79.069 5.288 -1.859 1.00 0.00 C ATOM 558 CG LYS A 40 78.758 6.746 -1.515 1.00 0.00 C ATOM 559 CD LYS A 40 79.304 7.072 -0.123 1.00 0.00 C ATOM 560 CE LYS A 40 80.281 8.247 -0.220 1.00 0.00 C ATOM 561 NZ LYS A 40 81.614 7.619 -0.442 1.00 0.00 N ATOM 0 H LYS A 40 76.959 5.625 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 40 78.126 3.354 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.948 4.953 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.304 5.196 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 40 79.205 7.408 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 40 77.682 6.915 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 40 78.485 7.321 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 40 79.807 6.200 0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 40 80.017 8.914 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 40 80.272 8.844 0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 82.339 8.361 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.841 6.995 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 81.594 7.062 -1.320 1.00 0.00 H new ATOM 575 N GLU A 41 76.144 5.322 -0.062 1.00 0.00 N ATOM 576 CA GLU A 41 75.561 5.690 1.260 1.00 0.00 C ATOM 577 C GLU A 41 74.495 4.671 1.669 1.00 0.00 C ATOM 578 O GLU A 41 73.828 4.823 2.673 1.00 0.00 O ATOM 579 CB GLU A 41 74.932 7.067 1.045 1.00 0.00 C ATOM 580 CG GLU A 41 74.456 7.627 2.387 1.00 0.00 C ATOM 581 CD GLU A 41 75.495 8.609 2.928 1.00 0.00 C ATOM 582 OE1 GLU A 41 75.596 9.696 2.383 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.173 8.258 3.881 1.00 0.00 O ATOM 0 H GLU A 41 75.559 5.535 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 41 76.309 5.703 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.658 7.743 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.093 6.991 0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.496 8.128 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.303 6.815 3.098 1.00 0.00 H new ATOM 590 N LEU A 42 74.328 3.631 0.898 1.00 0.00 N ATOM 591 CA LEU A 42 73.303 2.603 1.243 1.00 0.00 C ATOM 592 C LEU A 42 73.621 1.972 2.601 1.00 0.00 C ATOM 593 O LEU A 42 72.826 2.021 3.520 1.00 0.00 O ATOM 594 CB LEU A 42 73.399 1.558 0.130 1.00 0.00 C ATOM 595 CG LEU A 42 72.038 1.408 -0.550 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.734 2.663 -1.369 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.063 0.190 -1.477 1.00 0.00 C ATOM 0 H LEU A 42 74.856 3.448 0.045 1.00 0.00 H new ATOM 0 HA LEU A 42 72.302 3.028 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.151 1.857 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.719 0.601 0.542 1.00 0.00 H new ATOM 0 HG LEU A 42 71.267 1.274 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.764 2.555 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.716 3.532 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.505 2.798 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.093 0.082 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.835 0.325 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.279 -0.706 -0.895 1.00 0.00 H new ATOM 609 N GLY A 43 74.776 1.379 2.737 1.00 0.00 N ATOM 610 CA GLY A 43 75.141 0.744 4.036 1.00 0.00 C ATOM 611 C GLY A 43 74.754 1.674 5.186 1.00 0.00 C ATOM 612 O GLY A 43 74.104 1.272 6.131 1.00 0.00 O ATOM 0 H GLY A 43 75.483 1.307 2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.630 -0.213 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.211 0.539 4.065 1.00 0.00 H new ATOM 616 N THR A 44 75.146 2.917 5.116 1.00 0.00 N ATOM 617 CA THR A 44 74.798 3.872 6.208 1.00 0.00 C ATOM 618 C THR A 44 73.295 3.818 6.499 1.00 0.00 C ATOM 619 O THR A 44 72.872 3.379 7.551 1.00 0.00 O ATOM 620 CB THR A 44 75.193 5.249 5.671 1.00 0.00 C ATOM 621 OG1 THR A 44 76.602 5.405 5.762 1.00 0.00 O ATOM 622 CG2 THR A 44 74.504 6.340 6.492 1.00 0.00 C ATOM 0 H THR A 44 75.692 3.313 4.351 1.00 0.00 H new ATOM 0 HA THR A 44 75.310 3.637 7.141 1.00 0.00 H new ATOM 0 HB THR A 44 74.883 5.333 4.629 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.857 6.286 5.417 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.788 7.319 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.423 6.221 6.420 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.810 6.258 7.535 1.00 0.00 H new ATOM 630 N VAL A 45 72.486 4.262 5.577 1.00 0.00 N ATOM 631 CA VAL A 45 71.013 4.237 5.803 1.00 0.00 C ATOM 632 C VAL A 45 70.593 2.892 6.399 1.00 0.00 C ATOM 633 O VAL A 45 70.050 2.824 7.483 1.00 0.00 O ATOM 634 CB VAL A 45 70.398 4.428 4.417 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.873 4.452 4.534 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.884 5.752 3.823 1.00 0.00 C ATOM 0 H VAL A 45 72.781 4.641 4.677 1.00 0.00 H new ATOM 0 HA VAL A 45 70.688 5.007 6.502 1.00 0.00 H new ATOM 0 HB VAL A 45 70.700 3.605 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.434 4.588 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.526 3.510 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.571 5.275 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 45 70.446 5.890 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 45 70.582 6.574 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.971 5.736 3.740 1.00 0.00 H new ATOM 646 N MET A 46 70.842 1.819 5.700 1.00 0.00 N ATOM 647 CA MET A 46 70.458 0.480 6.231 1.00 0.00 C ATOM 648 C MET A 46 70.895 0.347 7.691 1.00 0.00 C ATOM 649 O MET A 46 70.176 -0.177 8.520 1.00 0.00 O ATOM 650 CB MET A 46 71.208 -0.521 5.352 1.00 0.00 C ATOM 651 CG MET A 46 70.500 -0.644 4.002 1.00 0.00 C ATOM 652 SD MET A 46 71.450 -1.739 2.918 1.00 0.00 S ATOM 653 CE MET A 46 70.102 -2.871 2.501 1.00 0.00 C ATOM 0 H MET A 46 71.294 1.811 4.786 1.00 0.00 H new ATOM 0 HA MET A 46 69.381 0.317 6.207 1.00 0.00 H new ATOM 0 HB2 MET A 46 72.237 -0.194 5.206 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.249 -1.493 5.843 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.493 -1.038 4.142 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.397 0.339 3.543 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.226 -3.222 1.477 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.119 -3.723 3.181 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.148 -2.351 2.594 1.00 0.00 H new ATOM 663 N ARG A 47 72.068 0.819 8.012 1.00 0.00 N ATOM 664 CA ARG A 47 72.551 0.721 9.420 1.00 0.00 C ATOM 665 C ARG A 47 71.944 1.843 10.266 1.00 0.00 C ATOM 666 O ARG A 47 71.775 1.711 11.462 1.00 0.00 O ATOM 667 CB ARG A 47 74.069 0.876 9.330 1.00 0.00 C ATOM 668 CG ARG A 47 74.699 -0.472 8.970 1.00 0.00 C ATOM 669 CD ARG A 47 76.041 -0.617 9.691 1.00 0.00 C ATOM 670 NE ARG A 47 76.068 -2.028 10.171 1.00 0.00 N ATOM 671 CZ ARG A 47 77.069 -2.804 9.857 1.00 0.00 C ATOM 672 NH1 ARG A 47 78.249 -2.292 9.635 1.00 0.00 N ATOM 673 NH2 ARG A 47 76.890 -4.094 9.767 1.00 0.00 N ATOM 0 H ARG A 47 72.713 1.268 7.362 1.00 0.00 H new ATOM 0 HA ARG A 47 72.266 -0.220 9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.325 1.622 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.466 1.233 10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.031 -1.285 9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.844 -0.541 7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.875 -0.412 9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.121 0.084 10.521 1.00 0.00 H new ATOM 0 HE ARG A 47 75.305 -2.387 10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.389 -1.284 9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 47 79.031 -2.900 9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 47 75.968 -4.494 9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.672 -4.701 9.522 1.00 0.00 H new ATOM 687 N MET A 48 71.614 2.948 9.654 1.00 0.00 N ATOM 688 CA MET A 48 71.017 4.078 10.425 1.00 0.00 C ATOM 689 C MET A 48 69.559 3.769 10.771 1.00 0.00 C ATOM 690 O MET A 48 68.891 4.538 11.433 1.00 0.00 O ATOM 691 CB MET A 48 71.101 5.284 9.488 1.00 0.00 C ATOM 692 CG MET A 48 72.494 5.909 9.584 1.00 0.00 C ATOM 693 SD MET A 48 72.365 7.561 10.313 1.00 0.00 S ATOM 694 CE MET A 48 73.327 7.225 11.807 1.00 0.00 C ATOM 0 H MET A 48 71.731 3.118 8.655 1.00 0.00 H new ATOM 0 HA MET A 48 71.536 4.256 11.367 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.899 4.976 8.462 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.342 6.019 9.755 1.00 0.00 H new ATOM 0 HG2 MET A 48 73.145 5.281 10.192 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.946 5.971 8.594 1.00 0.00 H new ATOM 0 HE1 MET A 48 73.378 8.127 12.417 1.00 0.00 H new ATOM 0 HE2 MET A 48 72.849 6.428 12.376 1.00 0.00 H new ATOM 0 HE3 MET A 48 74.335 6.918 11.529 1.00 0.00 H new ATOM 704 N LEU A 49 69.058 2.648 10.328 1.00 0.00 N ATOM 705 CA LEU A 49 67.642 2.291 10.633 1.00 0.00 C ATOM 706 C LEU A 49 67.590 1.247 11.752 1.00 0.00 C ATOM 707 O LEU A 49 66.615 1.143 12.470 1.00 0.00 O ATOM 708 CB LEU A 49 67.091 1.714 9.329 1.00 0.00 C ATOM 709 CG LEU A 49 67.098 2.798 8.249 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.964 2.148 6.870 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.925 3.752 8.478 1.00 0.00 C ATOM 0 H LEU A 49 69.567 1.964 9.768 1.00 0.00 H new ATOM 0 HA LEU A 49 67.062 3.148 10.975 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.695 0.864 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.077 1.344 9.482 1.00 0.00 H new ATOM 0 HG LEU A 49 68.035 3.353 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.969 2.921 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.799 1.467 6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 49 66.028 1.592 6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.929 4.525 7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.989 3.196 8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 49 66.020 4.216 9.460 1.00 0.00 H new ATOM 723 N GLY A 50 68.631 0.476 11.908 1.00 0.00 N ATOM 724 CA GLY A 50 68.639 -0.556 12.983 1.00 0.00 C ATOM 725 C GLY A 50 68.762 -1.950 12.363 1.00 0.00 C ATOM 726 O GLY A 50 68.269 -2.922 12.900 1.00 0.00 O ATOM 0 H GLY A 50 69.476 0.516 11.338 1.00 0.00 H new ATOM 0 HA2 GLY A 50 69.470 -0.377 13.665 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.724 -0.489 13.571 1.00 0.00 H new ATOM 730 N GLN A 51 69.416 -2.056 11.239 1.00 0.00 N ATOM 731 CA GLN A 51 69.568 -3.392 10.592 1.00 0.00 C ATOM 732 C GLN A 51 71.043 -3.799 10.550 1.00 0.00 C ATOM 733 O GLN A 51 71.867 -3.260 11.262 1.00 0.00 O ATOM 734 CB GLN A 51 69.018 -3.216 9.174 1.00 0.00 C ATOM 735 CG GLN A 51 67.582 -2.686 9.237 1.00 0.00 C ATOM 736 CD GLN A 51 66.791 -3.463 10.293 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.835 -4.677 10.331 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.064 -2.810 11.157 1.00 0.00 N ATOM 0 H GLN A 51 69.851 -1.279 10.741 1.00 0.00 H new ATOM 0 HA GLN A 51 69.040 -4.174 11.138 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.647 -2.524 8.613 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.041 -4.168 8.644 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.587 -1.624 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.104 -2.787 8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.027 -1.791 11.126 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.533 -3.318 11.864 1.00 0.00 H new ATOM 747 N ASN A 52 71.382 -4.749 9.721 1.00 0.00 N ATOM 748 CA ASN A 52 72.802 -5.192 9.635 1.00 0.00 C ATOM 749 C ASN A 52 73.066 -5.856 8.281 1.00 0.00 C ATOM 750 O ASN A 52 73.111 -7.067 8.182 1.00 0.00 O ATOM 751 CB ASN A 52 72.966 -6.205 10.768 1.00 0.00 C ATOM 752 CG ASN A 52 72.841 -5.489 12.115 1.00 0.00 C ATOM 753 OD1 ASN A 52 71.775 -5.447 12.697 1.00 0.00 O ATOM 754 ND2 ASN A 52 73.893 -4.921 12.638 1.00 0.00 N ATOM 0 H ASN A 52 70.737 -5.237 9.100 1.00 0.00 H new ATOM 0 HA ASN A 52 73.502 -4.361 9.724 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.208 -6.984 10.686 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.936 -6.696 10.694 1.00 0.00 H new ATOM 0 HD21 ASN A 52 73.821 -4.442 13.535 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.788 -4.956 12.149 1.00 0.00 H new ATOM 761 N PRO A 53 73.230 -5.036 7.280 1.00 0.00 N ATOM 762 CA PRO A 53 73.491 -5.546 5.913 1.00 0.00 C ATOM 763 C PRO A 53 74.934 -6.043 5.794 1.00 0.00 C ATOM 764 O PRO A 53 75.874 -5.282 5.920 1.00 0.00 O ATOM 765 CB PRO A 53 73.269 -4.324 5.028 1.00 0.00 C ATOM 766 CG PRO A 53 73.519 -3.147 5.917 1.00 0.00 C ATOM 767 CD PRO A 53 73.188 -3.570 7.327 1.00 0.00 C ATOM 0 HA PRO A 53 72.854 -6.388 5.642 1.00 0.00 H new ATOM 0 HB2 PRO A 53 73.949 -4.326 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.256 -4.307 4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.558 -2.826 5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.903 -2.300 5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.909 -3.173 8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.206 -3.209 7.631 1.00 0.00 H new ATOM 775 N THR A 54 75.120 -7.311 5.544 1.00 0.00 N ATOM 776 CA THR A 54 76.506 -7.842 5.412 1.00 0.00 C ATOM 777 C THR A 54 77.223 -7.134 4.259 1.00 0.00 C ATOM 778 O THR A 54 76.650 -6.890 3.217 1.00 0.00 O ATOM 779 CB THR A 54 76.340 -9.330 5.102 1.00 0.00 C ATOM 780 OG1 THR A 54 75.453 -9.487 4.003 1.00 0.00 O ATOM 781 CG2 THR A 54 75.771 -10.049 6.326 1.00 0.00 C ATOM 0 H THR A 54 74.376 -7.999 5.426 1.00 0.00 H new ATOM 0 HA THR A 54 77.099 -7.682 6.313 1.00 0.00 H new ATOM 0 HB THR A 54 77.310 -9.759 4.851 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.347 -10.440 3.802 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.653 -11.109 6.103 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.453 -9.929 7.168 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.801 -9.622 6.580 1.00 0.00 H new ATOM 789 N LYS A 55 78.471 -6.801 4.437 1.00 0.00 N ATOM 790 CA LYS A 55 79.213 -6.109 3.346 1.00 0.00 C ATOM 791 C LYS A 55 78.959 -6.809 2.008 1.00 0.00 C ATOM 792 O LYS A 55 78.748 -6.174 0.994 1.00 0.00 O ATOM 793 CB LYS A 55 80.687 -6.211 3.736 1.00 0.00 C ATOM 794 CG LYS A 55 81.440 -4.995 3.193 1.00 0.00 C ATOM 795 CD LYS A 55 82.757 -4.829 3.953 1.00 0.00 C ATOM 796 CE LYS A 55 82.947 -3.359 4.332 1.00 0.00 C ATOM 797 NZ LYS A 55 82.382 -3.240 5.706 1.00 0.00 N ATOM 0 H LYS A 55 79.007 -6.977 5.287 1.00 0.00 H new ATOM 0 HA LYS A 55 78.898 -5.072 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.785 -6.259 4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.118 -7.129 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.636 -5.121 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.830 -4.098 3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.752 -5.449 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.590 -5.167 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.000 -3.079 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.429 -2.701 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 82.476 -2.258 6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 81.377 -3.506 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.899 -3.872 6.350 1.00 0.00 H new ATOM 811 N GLU A 56 78.974 -8.114 1.999 1.00 0.00 N ATOM 812 CA GLU A 56 78.730 -8.852 0.726 1.00 0.00 C ATOM 813 C GLU A 56 77.405 -8.405 0.104 1.00 0.00 C ATOM 814 O GLU A 56 77.260 -8.351 -1.100 1.00 0.00 O ATOM 815 CB GLU A 56 78.664 -10.327 1.127 1.00 0.00 C ATOM 816 CG GLU A 56 79.945 -11.036 0.686 1.00 0.00 C ATOM 817 CD GLU A 56 81.100 -10.623 1.600 1.00 0.00 C ATOM 818 OE1 GLU A 56 81.740 -9.628 1.299 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.323 -11.307 2.584 1.00 0.00 O ATOM 0 H GLU A 56 79.144 -8.701 2.816 1.00 0.00 H new ATOM 0 HA GLU A 56 79.508 -8.667 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 56 78.540 -10.416 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 56 77.797 -10.801 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 56 79.806 -12.116 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.177 -10.780 -0.348 1.00 0.00 H new ATOM 826 N GLU A 57 76.437 -8.082 0.919 1.00 0.00 N ATOM 827 CA GLU A 57 75.122 -7.636 0.376 1.00 0.00 C ATOM 828 C GLU A 57 75.241 -6.226 -0.208 1.00 0.00 C ATOM 829 O GLU A 57 74.901 -5.986 -1.349 1.00 0.00 O ATOM 830 CB GLU A 57 74.174 -7.641 1.576 1.00 0.00 C ATOM 831 CG GLU A 57 73.456 -8.989 1.657 1.00 0.00 C ATOM 832 CD GLU A 57 72.468 -9.114 0.496 1.00 0.00 C ATOM 833 OE1 GLU A 57 71.385 -8.564 0.604 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.813 -9.757 -0.481 1.00 0.00 O ATOM 0 H GLU A 57 76.500 -8.108 1.937 1.00 0.00 H new ATOM 0 HA GLU A 57 74.767 -8.283 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 57 74.733 -7.459 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.446 -6.835 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 57 74.181 -9.802 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 57 72.929 -9.075 2.607 1.00 0.00 H new ATOM 841 N LEU A 58 75.725 -5.292 0.565 1.00 0.00 N ATOM 842 CA LEU A 58 75.867 -3.899 0.052 1.00 0.00 C ATOM 843 C LEU A 58 76.737 -3.890 -1.207 1.00 0.00 C ATOM 844 O LEU A 58 76.433 -3.227 -2.178 1.00 0.00 O ATOM 845 CB LEU A 58 76.550 -3.123 1.182 1.00 0.00 C ATOM 846 CG LEU A 58 75.767 -3.301 2.485 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.210 -2.239 3.493 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.268 -3.143 2.212 1.00 0.00 C ATOM 0 H LEU A 58 76.028 -5.433 1.529 1.00 0.00 H new ATOM 0 HA LEU A 58 74.907 -3.459 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.573 -3.477 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 58 76.609 -2.065 0.925 1.00 0.00 H new ATOM 0 HG LEU A 58 75.960 -4.295 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.653 -2.364 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.276 -2.348 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.017 -1.247 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 58 73.713 -3.270 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.075 -2.150 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 58 73.948 -3.897 1.492 1.00 0.00 H new ATOM 860 N ASP A 59 77.816 -4.623 -1.199 1.00 0.00 N ATOM 861 CA ASP A 59 78.701 -4.658 -2.397 1.00 0.00 C ATOM 862 C ASP A 59 77.953 -5.265 -3.586 1.00 0.00 C ATOM 863 O ASP A 59 78.008 -4.761 -4.690 1.00 0.00 O ATOM 864 CB ASP A 59 79.882 -5.543 -1.996 1.00 0.00 C ATOM 865 CG ASP A 59 80.950 -5.494 -3.089 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.785 -6.184 -4.081 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.915 -4.769 -2.915 1.00 0.00 O ATOM 0 H ASP A 59 78.123 -5.199 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 59 79.026 -3.662 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.300 -5.203 -1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 59 79.547 -6.569 -1.846 1.00 0.00 H new ATOM 872 N ALA A 60 77.251 -6.344 -3.367 1.00 0.00 N ATOM 873 CA ALA A 60 76.498 -6.982 -4.484 1.00 0.00 C ATOM 874 C ALA A 60 75.276 -6.135 -4.847 1.00 0.00 C ATOM 875 O ALA A 60 74.889 -6.045 -5.996 1.00 0.00 O ATOM 876 CB ALA A 60 76.065 -8.345 -3.943 1.00 0.00 C ATOM 0 H ALA A 60 77.167 -6.811 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 60 77.100 -7.076 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.503 -8.879 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 60 76.947 -8.925 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.437 -8.204 -3.064 1.00 0.00 H new ATOM 882 N ILE A 61 74.666 -5.511 -3.877 1.00 0.00 N ATOM 883 CA ILE A 61 73.470 -4.669 -4.167 1.00 0.00 C ATOM 884 C ILE A 61 73.902 -3.332 -4.775 1.00 0.00 C ATOM 885 O ILE A 61 73.487 -2.970 -5.858 1.00 0.00 O ATOM 886 CB ILE A 61 72.796 -4.450 -2.813 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.162 -5.762 -2.343 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.710 -3.382 -2.951 1.00 0.00 C ATOM 889 CD1 ILE A 61 71.661 -5.601 -0.906 1.00 0.00 C ATOM 0 H ILE A 61 74.944 -5.547 -2.896 1.00 0.00 H new ATOM 0 HA ILE A 61 72.797 -5.142 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 61 73.539 -4.122 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.335 -6.034 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.891 -6.570 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.229 -3.225 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.159 -2.448 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 61 70.967 -3.711 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.210 -6.535 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 61 72.498 -5.349 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 61 70.918 -4.804 -0.867 1.00 0.00 H new ATOM 901 N ILE A 62 74.736 -2.598 -4.090 1.00 0.00 N ATOM 902 CA ILE A 62 75.194 -1.286 -4.633 1.00 0.00 C ATOM 903 C ILE A 62 75.522 -1.424 -6.121 1.00 0.00 C ATOM 904 O ILE A 62 74.990 -0.715 -6.950 1.00 0.00 O ATOM 905 CB ILE A 62 76.452 -0.945 -3.839 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.062 -0.518 -2.421 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.196 0.202 -4.527 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.321 -0.145 -1.637 1.00 0.00 C ATOM 0 H ILE A 62 75.120 -2.849 -3.179 1.00 0.00 H new ATOM 0 HA ILE A 62 74.434 -0.511 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 62 77.098 -1.822 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.380 0.331 -2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.534 -1.328 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.094 0.445 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.475 -0.099 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.549 1.078 -4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.044 0.159 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.987 -1.006 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.830 0.679 -2.137 1.00 0.00 H new ATOM 920 N GLU A 63 76.391 -2.335 -6.467 1.00 0.00 N ATOM 921 CA GLU A 63 76.743 -2.518 -7.903 1.00 0.00 C ATOM 922 C GLU A 63 75.483 -2.853 -8.704 1.00 0.00 C ATOM 923 O GLU A 63 75.269 -2.350 -9.788 1.00 0.00 O ATOM 924 CB GLU A 63 77.724 -3.691 -7.925 1.00 0.00 C ATOM 925 CG GLU A 63 78.051 -4.059 -9.374 1.00 0.00 C ATOM 926 CD GLU A 63 79.500 -3.683 -9.683 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.873 -2.556 -9.400 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.215 -4.528 -10.197 1.00 0.00 O ATOM 0 H GLU A 63 76.871 -2.959 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 63 77.177 -1.622 -8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.637 -3.425 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.292 -4.549 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.900 -5.127 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 63 77.376 -3.538 -10.053 1.00 0.00 H new ATOM 935 N GLU A 64 74.643 -3.699 -8.168 1.00 0.00 N ATOM 936 CA GLU A 64 73.391 -4.067 -8.888 1.00 0.00 C ATOM 937 C GLU A 64 72.474 -2.844 -8.993 1.00 0.00 C ATOM 938 O GLU A 64 71.985 -2.509 -10.054 1.00 0.00 O ATOM 939 CB GLU A 64 72.750 -5.158 -8.021 1.00 0.00 C ATOM 940 CG GLU A 64 71.242 -5.221 -8.282 1.00 0.00 C ATOM 941 CD GLU A 64 70.992 -5.526 -9.760 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.453 -4.760 -10.589 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.342 -6.521 -10.037 1.00 0.00 O ATOM 0 H GLU A 64 74.771 -4.151 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 64 73.574 -4.414 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.206 -6.123 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.936 -4.952 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.786 -5.990 -7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.775 -4.274 -8.011 1.00 0.00 H new ATOM 950 N VAL A 65 72.238 -2.178 -7.895 1.00 0.00 N ATOM 951 CA VAL A 65 71.352 -0.979 -7.924 1.00 0.00 C ATOM 952 C VAL A 65 72.150 0.260 -8.342 1.00 0.00 C ATOM 953 O VAL A 65 71.620 1.349 -8.431 1.00 0.00 O ATOM 954 CB VAL A 65 70.848 -0.833 -6.489 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.151 -2.124 -6.057 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.031 -0.557 -5.557 1.00 0.00 C ATOM 0 H VAL A 65 72.621 -2.412 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 65 70.535 -1.083 -8.638 1.00 0.00 H new ATOM 0 HB VAL A 65 70.142 -0.004 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 65 69.792 -2.019 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.308 -2.321 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 65 70.856 -2.954 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.671 -0.453 -4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.738 -1.385 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.528 0.364 -5.862 1.00 0.00 H new ATOM 966 N ASP A 66 73.421 0.102 -8.594 1.00 0.00 N ATOM 967 CA ASP A 66 74.252 1.271 -9.001 1.00 0.00 C ATOM 968 C ASP A 66 73.836 1.764 -10.389 1.00 0.00 C ATOM 969 O ASP A 66 74.261 1.236 -11.398 1.00 0.00 O ATOM 970 CB ASP A 66 75.687 0.744 -9.029 1.00 0.00 C ATOM 971 CG ASP A 66 76.455 1.288 -7.824 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.149 2.390 -7.401 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.335 0.593 -7.344 1.00 0.00 O ATOM 0 H ASP A 66 73.920 -0.786 -8.536 1.00 0.00 H new ATOM 0 HA ASP A 66 74.138 2.114 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.686 -0.346 -9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.179 1.047 -9.954 1.00 0.00 H new ATOM 1030 N THR A 72 73.163 6.398 -8.113 1.00 0.00 N ATOM 1031 CA THR A 72 72.263 6.736 -6.972 1.00 0.00 C ATOM 1032 C THR A 72 71.178 5.667 -6.816 1.00 0.00 C ATOM 1033 O THR A 72 70.895 4.915 -7.727 1.00 0.00 O ATOM 1034 CB THR A 72 71.638 8.081 -7.344 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.800 8.310 -8.737 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.326 9.198 -6.557 1.00 0.00 C ATOM 0 HA THR A 72 72.800 6.783 -6.025 1.00 0.00 H new ATOM 0 HB THR A 72 70.576 8.068 -7.101 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.273 7.552 -9.140 1.00 0.00 H new ATOM 0 HG21 THR A 72 71.881 10.157 -6.822 1.00 0.00 H new ATOM 0 HG22 THR A 72 72.199 9.022 -5.489 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.389 9.212 -6.799 1.00 0.00 H new ATOM 1044 N ILE A 73 70.567 5.595 -5.664 1.00 0.00 N ATOM 1045 CA ILE A 73 69.500 4.577 -5.446 1.00 0.00 C ATOM 1046 C ILE A 73 68.128 5.254 -5.389 1.00 0.00 C ATOM 1047 O ILE A 73 68.006 6.400 -5.004 1.00 0.00 O ATOM 1048 CB ILE A 73 69.837 3.932 -4.102 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.931 2.719 -3.879 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.616 4.946 -2.980 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.408 1.556 -4.750 1.00 0.00 C ATOM 0 H ILE A 73 70.761 6.198 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 73 69.458 3.843 -6.251 1.00 0.00 H new ATOM 0 HB ILE A 73 70.879 3.613 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.946 2.430 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.900 2.972 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 73 69.856 4.486 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.260 5.811 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.574 5.265 -2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.762 0.693 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.370 1.848 -5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.432 1.297 -4.482 1.00 0.00 H new ATOM 1063 N ASP A 74 67.094 4.554 -5.769 1.00 0.00 N ATOM 1064 CA ASP A 74 65.731 5.158 -5.736 1.00 0.00 C ATOM 1065 C ASP A 74 64.958 4.652 -4.515 1.00 0.00 C ATOM 1066 O ASP A 74 64.872 3.464 -4.272 1.00 0.00 O ATOM 1067 CB ASP A 74 65.059 4.687 -7.026 1.00 0.00 C ATOM 1068 CG ASP A 74 65.648 5.448 -8.216 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.720 5.074 -8.660 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.016 6.391 -8.661 1.00 0.00 O ATOM 0 H ASP A 74 67.134 3.590 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 74 65.763 6.245 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.209 3.615 -7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 74 63.983 4.854 -6.970 1.00 0.00 H new ATOM 1075 N PHE A 75 64.395 5.542 -3.745 1.00 0.00 N ATOM 1076 CA PHE A 75 63.628 5.106 -2.543 1.00 0.00 C ATOM 1077 C PHE A 75 62.664 3.978 -2.916 1.00 0.00 C ATOM 1078 O PHE A 75 62.614 2.951 -2.270 1.00 0.00 O ATOM 1079 CB PHE A 75 62.858 6.345 -2.090 1.00 0.00 C ATOM 1080 CG PHE A 75 62.447 6.182 -0.647 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.571 5.153 -0.280 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.943 7.058 0.327 1.00 0.00 C ATOM 1083 CE1 PHE A 75 61.191 5.000 1.059 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.565 6.905 1.665 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.688 5.875 2.031 1.00 0.00 C ATOM 0 H PHE A 75 64.432 6.550 -3.895 1.00 0.00 H new ATOM 0 HA PHE A 75 64.276 4.723 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.478 7.234 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 75 61.977 6.488 -2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 75 61.188 4.477 -1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.618 7.852 0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.515 4.207 1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.949 7.580 2.416 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.396 5.757 3.064 1.00 0.00 H new ATOM 1095 N GLU A 76 61.900 4.158 -3.961 1.00 0.00 N ATOM 1096 CA GLU A 76 60.945 3.091 -4.375 1.00 0.00 C ATOM 1097 C GLU A 76 61.688 1.763 -4.541 1.00 0.00 C ATOM 1098 O GLU A 76 61.204 0.717 -4.156 1.00 0.00 O ATOM 1099 CB GLU A 76 60.367 3.564 -5.711 1.00 0.00 C ATOM 1100 CG GLU A 76 61.503 3.956 -6.660 1.00 0.00 C ATOM 1101 CD GLU A 76 61.774 2.808 -7.633 1.00 0.00 C ATOM 1102 OE1 GLU A 76 61.428 1.686 -7.305 1.00 0.00 O ATOM 1103 OE2 GLU A 76 62.323 3.071 -8.690 1.00 0.00 O ATOM 0 H GLU A 76 61.896 4.995 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 76 60.160 2.926 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.765 2.773 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.706 4.415 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 76 61.236 4.858 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.404 4.185 -6.091 1.00 0.00 H new ATOM 1110 N GLU A 77 62.866 1.797 -5.105 1.00 0.00 N ATOM 1111 CA GLU A 77 63.642 0.538 -5.286 1.00 0.00 C ATOM 1112 C GLU A 77 64.417 0.218 -4.005 1.00 0.00 C ATOM 1113 O GLU A 77 64.353 -0.880 -3.488 1.00 0.00 O ATOM 1114 CB GLU A 77 64.604 0.826 -6.440 1.00 0.00 C ATOM 1115 CG GLU A 77 65.280 -0.476 -6.878 1.00 0.00 C ATOM 1116 CD GLU A 77 65.313 -0.546 -8.405 1.00 0.00 C ATOM 1117 OE1 GLU A 77 65.051 0.467 -9.031 1.00 0.00 O ATOM 1118 OE2 GLU A 77 65.601 -1.612 -8.923 1.00 0.00 O ATOM 0 H GLU A 77 63.323 2.642 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 77 63.003 -0.319 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.063 1.267 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.355 1.552 -6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.293 -0.524 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 77 64.739 -1.332 -6.476 1.00 0.00 H new ATOM 1125 N PHE A 78 65.142 1.170 -3.486 1.00 0.00 N ATOM 1126 CA PHE A 78 65.913 0.921 -2.237 1.00 0.00 C ATOM 1127 C PHE A 78 65.027 0.209 -1.213 1.00 0.00 C ATOM 1128 O PHE A 78 65.494 -0.577 -0.413 1.00 0.00 O ATOM 1129 CB PHE A 78 66.307 2.311 -1.737 1.00 0.00 C ATOM 1130 CG PHE A 78 66.898 2.202 -0.354 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.164 1.637 -0.177 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.178 2.671 0.751 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.715 1.538 1.107 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.727 2.573 2.036 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.996 2.006 2.214 1.00 0.00 C ATOM 0 H PHE A 78 65.234 2.109 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 78 66.784 0.287 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.029 2.762 -2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.434 2.963 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.718 1.276 -1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.200 3.108 0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.693 1.101 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.172 2.934 2.889 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.419 1.930 3.205 1.00 0.00 H new ATOM 1145 N LEU A 79 63.750 0.476 -1.235 1.00 0.00 N ATOM 1146 CA LEU A 79 62.833 -0.188 -0.266 1.00 0.00 C ATOM 1147 C LEU A 79 63.124 -1.689 -0.217 1.00 0.00 C ATOM 1148 O LEU A 79 63.170 -2.288 0.839 1.00 0.00 O ATOM 1149 CB LEU A 79 61.426 0.070 -0.806 1.00 0.00 C ATOM 1150 CG LEU A 79 60.780 1.208 -0.015 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.898 2.041 -0.947 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.923 0.623 1.110 1.00 0.00 C ATOM 0 H LEU A 79 63.302 1.125 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 79 62.953 0.195 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.472 0.328 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.822 -0.833 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 79 61.558 1.842 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.437 2.852 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.507 2.457 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.120 1.408 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.462 1.433 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.145 -0.010 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.551 0.029 1.774 1.00 0.00 H new ATOM 1164 N VAL A 80 63.328 -2.302 -1.352 1.00 0.00 N ATOM 1165 CA VAL A 80 63.621 -3.761 -1.360 1.00 0.00 C ATOM 1166 C VAL A 80 64.867 -4.041 -0.515 1.00 0.00 C ATOM 1167 O VAL A 80 64.943 -5.024 0.193 1.00 0.00 O ATOM 1168 CB VAL A 80 63.862 -4.114 -2.829 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.261 -3.656 -3.254 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.746 -5.629 -3.011 1.00 0.00 C ATOM 0 H VAL A 80 63.304 -1.857 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 80 62.810 -4.355 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 80 63.118 -3.610 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.425 -3.911 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.345 -2.577 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.010 -4.154 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.917 -5.884 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.489 -6.128 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.749 -5.956 -2.717 1.00 0.00 H new ATOM 1180 N MET A 81 65.841 -3.174 -0.576 1.00 0.00 N ATOM 1181 CA MET A 81 67.074 -3.383 0.232 1.00 0.00 C ATOM 1182 C MET A 81 66.735 -3.289 1.721 1.00 0.00 C ATOM 1183 O MET A 81 67.432 -3.819 2.563 1.00 0.00 O ATOM 1184 CB MET A 81 68.017 -2.251 -0.178 1.00 0.00 C ATOM 1185 CG MET A 81 68.896 -2.712 -1.344 1.00 0.00 C ATOM 1186 SD MET A 81 67.991 -2.508 -2.898 1.00 0.00 S ATOM 1187 CE MET A 81 68.633 -3.982 -3.727 1.00 0.00 C ATOM 0 H MET A 81 65.835 -2.331 -1.150 1.00 0.00 H new ATOM 0 HA MET A 81 67.524 -4.361 0.063 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.442 -1.372 -0.468 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.640 -1.959 0.667 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.819 -2.132 -1.369 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.179 -3.756 -1.210 1.00 0.00 H new ATOM 0 HE1 MET A 81 69.355 -3.686 -4.488 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.120 -4.627 -2.996 1.00 0.00 H new ATOM 0 HE3 MET A 81 67.811 -4.522 -4.197 1.00 0.00 H new ATOM 1197 N MET A 82 65.663 -2.619 2.049 1.00 0.00 N ATOM 1198 CA MET A 82 65.270 -2.491 3.480 1.00 0.00 C ATOM 1199 C MET A 82 64.467 -3.720 3.912 1.00 0.00 C ATOM 1200 O MET A 82 64.872 -4.461 4.786 1.00 0.00 O ATOM 1201 CB MET A 82 64.401 -1.234 3.544 1.00 0.00 C ATOM 1202 CG MET A 82 65.109 -0.084 2.826 1.00 0.00 C ATOM 1203 SD MET A 82 64.163 1.441 3.057 1.00 0.00 S ATOM 1204 CE MET A 82 64.917 1.946 4.623 1.00 0.00 C ATOM 0 H MET A 82 65.042 -2.155 1.386 1.00 0.00 H new ATOM 0 HA MET A 82 66.133 -2.421 4.142 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.433 -1.425 3.080 1.00 0.00 H new ATOM 0 HB3 MET A 82 64.209 -0.965 4.583 1.00 0.00 H new ATOM 0 HG2 MET A 82 66.118 0.038 3.219 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.205 -0.308 1.764 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.847 3.029 4.728 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.393 1.467 5.450 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.965 1.647 4.635 1.00 0.00 H new ATOM 1214 N VAL A 83 63.333 -3.944 3.305 1.00 0.00 N ATOM 1215 CA VAL A 83 62.512 -5.129 3.685 1.00 0.00 C ATOM 1216 C VAL A 83 63.360 -6.400 3.594 1.00 0.00 C ATOM 1217 O VAL A 83 63.368 -7.217 4.493 1.00 0.00 O ATOM 1218 CB VAL A 83 61.365 -5.169 2.673 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.925 -5.122 1.250 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.570 -6.462 2.863 1.00 0.00 C ATOM 0 H VAL A 83 62.941 -3.361 2.566 1.00 0.00 H new ATOM 0 HA VAL A 83 62.140 -5.064 4.707 1.00 0.00 H new ATOM 0 HB VAL A 83 60.715 -4.309 2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.103 -5.151 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.493 -4.202 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.578 -5.980 1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.752 -6.495 2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.226 -7.319 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.166 -6.495 3.875 1.00 0.00 H new ATOM 1230 N ARG A 84 64.082 -6.569 2.520 1.00 0.00 N ATOM 1231 CA ARG A 84 64.934 -7.783 2.385 1.00 0.00 C ATOM 1232 C ARG A 84 65.973 -7.813 3.508 1.00 0.00 C ATOM 1233 O ARG A 84 66.395 -8.863 3.951 1.00 0.00 O ATOM 1234 CB ARG A 84 65.614 -7.642 1.023 1.00 0.00 C ATOM 1235 CG ARG A 84 64.547 -7.547 -0.071 1.00 0.00 C ATOM 1236 CD ARG A 84 64.108 -8.955 -0.479 1.00 0.00 C ATOM 1237 NE ARG A 84 64.539 -9.095 -1.897 1.00 0.00 N ATOM 1238 CZ ARG A 84 65.098 -10.203 -2.304 1.00 0.00 C ATOM 1239 NH1 ARG A 84 66.149 -10.670 -1.685 1.00 0.00 N ATOM 1240 NH2 ARG A 84 64.607 -10.844 -3.329 1.00 0.00 N ATOM 0 H ARG A 84 64.118 -5.921 1.733 1.00 0.00 H new ATOM 0 HA ARG A 84 64.360 -8.707 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.245 -6.753 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.264 -8.497 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.690 -6.978 0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 84 64.943 -7.013 -0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.573 -9.712 0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.029 -9.077 -0.380 1.00 0.00 H new ATOM 0 HE ARG A 84 64.398 -8.325 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 84 66.533 -10.169 -0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 84 66.585 -11.535 -2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 84 63.786 -10.480 -3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 84 65.044 -11.709 -3.646 1.00 0.00 H new ATOM 1254 N GLN A 85 66.378 -6.664 3.978 1.00 0.00 N ATOM 1255 CA GLN A 85 67.381 -6.620 5.079 1.00 0.00 C ATOM 1256 C GLN A 85 66.688 -6.859 6.420 1.00 0.00 C ATOM 1257 O GLN A 85 67.089 -7.704 7.197 1.00 0.00 O ATOM 1258 CB GLN A 85 67.973 -5.211 5.023 1.00 0.00 C ATOM 1259 CG GLN A 85 68.738 -4.927 6.318 1.00 0.00 C ATOM 1260 CD GLN A 85 69.136 -3.452 6.360 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.249 -3.121 6.716 1.00 0.00 O ATOM 1262 NE2 GLN A 85 68.266 -2.543 6.010 1.00 0.00 N ATOM 0 H GLN A 85 66.057 -5.754 3.647 1.00 0.00 H new ATOM 0 HA GLN A 85 68.150 -7.385 4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.641 -5.119 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.179 -4.476 4.889 1.00 0.00 H new ATOM 0 HG2 GLN A 85 68.118 -5.172 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.626 -5.556 6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 85 67.331 -2.820 5.711 1.00 0.00 H new ATOM 0 HE22 GLN A 85 68.521 -1.556 6.036 1.00 0.00 H new ATOM 1271 N MET A 86 65.643 -6.127 6.696 1.00 0.00 N ATOM 1272 CA MET A 86 64.921 -6.322 7.984 1.00 0.00 C ATOM 1273 C MET A 86 64.258 -7.699 8.006 1.00 0.00 C ATOM 1274 O MET A 86 63.958 -8.238 9.053 1.00 0.00 O ATOM 1275 CB MET A 86 63.868 -5.215 8.024 1.00 0.00 C ATOM 1276 CG MET A 86 64.279 -4.160 9.052 1.00 0.00 C ATOM 1277 SD MET A 86 62.880 -3.055 9.373 1.00 0.00 S ATOM 1278 CE MET A 86 62.815 -3.285 11.167 1.00 0.00 C ATOM 0 H MET A 86 65.259 -5.404 6.087 1.00 0.00 H new ATOM 0 HA MET A 86 65.588 -6.274 8.845 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.766 -4.759 7.039 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.895 -5.632 8.284 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.596 -4.642 9.977 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.131 -3.589 8.682 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.783 -3.198 11.508 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.199 -4.273 11.421 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.423 -2.523 11.654 1.00 0.00 H new ATOM 1288 N LYS A 87 64.034 -8.282 6.859 1.00 0.00 N ATOM 1289 CA LYS A 87 63.399 -9.629 6.827 1.00 0.00 C ATOM 1290 C LYS A 87 64.129 -10.558 7.799 1.00 0.00 C ATOM 1291 O LYS A 87 63.577 -11.524 8.287 1.00 0.00 O ATOM 1292 CB LYS A 87 63.567 -10.116 5.386 1.00 0.00 C ATOM 1293 CG LYS A 87 62.328 -9.739 4.570 1.00 0.00 C ATOM 1294 CD LYS A 87 61.671 -11.007 4.022 1.00 0.00 C ATOM 1295 CE LYS A 87 61.963 -11.128 2.524 1.00 0.00 C ATOM 1296 NZ LYS A 87 63.324 -11.730 2.445 1.00 0.00 N ATOM 0 H LYS A 87 64.262 -7.885 5.947 1.00 0.00 H new ATOM 0 HA LYS A 87 62.350 -9.607 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.457 -9.670 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.710 -11.196 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.622 -9.192 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.607 -9.078 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.050 -11.883 4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.595 -10.974 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.224 -11.756 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 87 61.933 -10.154 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 63.596 -11.845 1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 64.007 -11.107 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 63.320 -12.659 2.912 1.00 0.00 H new ATOM 1310 N GLU A 88 65.367 -10.263 8.085 1.00 0.00 N ATOM 1311 CA GLU A 88 66.142 -11.116 9.030 1.00 0.00 C ATOM 1312 C GLU A 88 66.146 -10.483 10.424 1.00 0.00 C ATOM 1313 O GLU A 88 66.049 -11.165 11.426 1.00 0.00 O ATOM 1314 CB GLU A 88 67.558 -11.156 8.454 1.00 0.00 C ATOM 1315 CG GLU A 88 68.427 -12.091 9.296 1.00 0.00 C ATOM 1316 CD GLU A 88 68.220 -13.535 8.835 1.00 0.00 C ATOM 1317 OE1 GLU A 88 67.154 -13.823 8.316 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.131 -14.327 9.008 1.00 0.00 O ATOM 0 H GLU A 88 65.877 -9.466 7.704 1.00 0.00 H new ATOM 0 HA GLU A 88 65.717 -12.114 9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.531 -11.500 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.987 -10.154 8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.477 -11.814 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 88 68.168 -11.994 10.350 1.00 0.00 H new ATOM 1325 N ASP A 89 66.258 -9.185 10.494 1.00 0.00 N ATOM 1326 CA ASP A 89 66.269 -8.505 11.822 1.00 0.00 C ATOM 1327 C ASP A 89 64.841 -8.344 12.350 1.00 0.00 C ATOM 1328 O ASP A 89 64.605 -8.338 13.542 1.00 0.00 O ATOM 1329 CB ASP A 89 66.900 -7.137 11.560 1.00 0.00 C ATOM 1330 CG ASP A 89 68.419 -7.288 11.450 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.859 -8.027 10.585 1.00 0.00 O ATOM 1332 OD2 ASP A 89 69.114 -6.662 12.233 1.00 0.00 O ATOM 0 H ASP A 89 66.342 -8.565 9.689 1.00 0.00 H new ATOM 0 HA ASP A 89 66.820 -9.074 12.571 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.499 -6.710 10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.650 -6.449 12.367 1.00 0.00 H new ATOM 1337 N ALA A 90 63.888 -8.212 11.470 1.00 0.00 N ATOM 1338 CA ALA A 90 62.475 -8.050 11.917 1.00 0.00 C ATOM 1339 C ALA A 90 61.871 -9.412 12.268 1.00 0.00 C ATOM 1340 O ALA A 90 62.234 -10.383 11.624 1.00 0.00 O ATOM 1341 CB ALA A 90 61.751 -7.434 10.720 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.055 -9.460 13.174 1.00 0.00 O ATOM 0 H ALA A 90 64.026 -8.209 10.459 1.00 0.00 H new ATOM 0 HA ALA A 90 62.392 -7.428 12.808 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.701 -7.282 10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.207 -6.476 10.473 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.828 -8.104 9.864 1.00 0.00 H new