USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 638 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.167 (180deg=-0.832) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00235) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -120:sc= -1.54 (180deg=-4.02!) USER MOD Single : A 26 GLN : amide:sc= -0.912 K(o=-0.91,f=-4.7!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.06) USER MOD Single : A 34 MET CE :methyl -110:sc= -2.27 (180deg=-6.08!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.156 X(o=-0.16,f=0.049) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 84:sc= 0.922 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -1.04 K(o=-1,f=-3.4) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0491 USER MOD Single : A 64 ASN : amide:sc= -1.42 K(o=-1.4,f=-2) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.11 (180deg=-0.11) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.450 0.682 -0.161 1.00 10.22 N ATOM 2 CA MET A 1 2.167 0.281 -1.365 1.00 65.43 C ATOM 3 C MET A 1 3.622 -0.050 -1.047 1.00 2.42 C ATOM 4 O MET A 1 4.447 0.846 -0.861 1.00 33.31 O ATOM 5 CB MET A 1 2.103 1.390 -2.417 1.00 34.20 C ATOM 6 CG MET A 1 0.690 1.872 -2.705 1.00 42.12 C ATOM 7 SD MET A 1 0.655 3.306 -3.798 1.00 62.21 S ATOM 8 CE MET A 1 0.065 2.560 -5.316 1.00 44.20 C ATOM 0 H1 MET A 1 0.426 0.607 -0.326 1.00 10.22 H new ATOM 0 H2 MET A 1 1.720 0.060 0.627 1.00 10.22 H new ATOM 0 H3 MET A 1 1.692 1.665 0.076 1.00 10.22 H new ATOM 0 HA MET A 1 1.687 -0.614 -1.761 1.00 65.43 H new ATOM 0 HB2 MET A 1 2.705 2.234 -2.081 1.00 34.20 H new ATOM 0 HB3 MET A 1 2.551 1.028 -3.343 1.00 34.20 H new ATOM 0 HG2 MET A 1 0.119 1.061 -3.157 1.00 42.12 H new ATOM 0 HG3 MET A 1 0.198 2.124 -1.766 1.00 42.12 H new ATOM 0 HE1 MET A 1 -0.010 3.323 -6.091 1.00 44.20 H new ATOM 0 HE2 MET A 1 0.762 1.785 -5.636 1.00 44.20 H new ATOM 0 HE3 MET A 1 -0.917 2.117 -5.146 1.00 44.20 H new ATOM 18 N LYS A 2 3.931 -1.340 -0.985 1.00 23.42 N ATOM 19 CA LYS A 2 5.287 -1.790 -0.690 1.00 14.23 C ATOM 20 C LYS A 2 5.791 -2.743 -1.769 1.00 33.15 C ATOM 21 O LYS A 2 6.575 -3.651 -1.491 1.00 12.32 O ATOM 22 CB LYS A 2 5.332 -2.479 0.676 1.00 14.31 C ATOM 23 CG LYS A 2 4.235 -3.511 0.873 1.00 10.11 C ATOM 24 CD LYS A 2 4.255 -4.084 2.280 1.00 14.33 C ATOM 25 CE LYS A 2 4.103 -5.597 2.268 1.00 33.13 C ATOM 26 NZ LYS A 2 2.765 -6.016 1.766 1.00 32.35 N ATOM 0 H LYS A 2 3.260 -2.094 -1.135 1.00 23.42 H new ATOM 0 HA LYS A 2 5.937 -0.915 -0.670 1.00 14.23 H new ATOM 0 HB2 LYS A 2 6.301 -2.963 0.798 1.00 14.31 H new ATOM 0 HB3 LYS A 2 5.253 -1.723 1.458 1.00 14.31 H new ATOM 0 HG2 LYS A 2 3.265 -3.054 0.679 1.00 10.11 H new ATOM 0 HG3 LYS A 2 4.358 -4.317 0.149 1.00 10.11 H new ATOM 0 HD2 LYS A 2 5.191 -3.815 2.770 1.00 14.33 H new ATOM 0 HD3 LYS A 2 3.450 -3.641 2.866 1.00 14.33 H new ATOM 0 HE2 LYS A 2 4.880 -6.035 1.641 1.00 33.13 H new ATOM 0 HE3 LYS A 2 4.251 -5.985 3.276 1.00 33.13 H new ATOM 0 HZ1 LYS A 2 2.688 -7.052 1.805 1.00 32.35 H new ATOM 0 HZ2 LYS A 2 2.023 -5.591 2.359 1.00 32.35 H new ATOM 0 HZ3 LYS A 2 2.648 -5.697 0.783 1.00 32.35 H new ATOM 40 N ARG A 3 5.337 -2.530 -2.999 1.00 52.13 N ATOM 41 CA ARG A 3 5.742 -3.370 -4.119 1.00 64.44 C ATOM 42 C ARG A 3 5.932 -2.537 -5.384 1.00 22.15 C ATOM 43 O ARG A 3 5.472 -1.398 -5.464 1.00 35.11 O ATOM 44 CB ARG A 3 4.701 -4.463 -4.368 1.00 23.43 C ATOM 45 CG ARG A 3 3.348 -3.927 -4.805 1.00 31.33 C ATOM 46 CD ARG A 3 2.359 -3.902 -3.649 1.00 44.44 C ATOM 47 NE ARG A 3 0.989 -3.688 -4.106 1.00 51.43 N ATOM 48 CZ ARG A 3 0.523 -2.509 -4.505 1.00 34.41 C ATOM 49 NH1 ARG A 3 1.313 -1.445 -4.503 1.00 50.12 N ATOM 50 NH2 ARG A 3 -0.737 -2.394 -4.907 1.00 23.41 N ATOM 0 H ARG A 3 4.688 -1.783 -3.245 1.00 52.13 H new ATOM 0 HA ARG A 3 6.694 -3.835 -3.864 1.00 64.44 H new ATOM 0 HB2 ARG A 3 5.077 -5.144 -5.132 1.00 23.43 H new ATOM 0 HB3 ARG A 3 4.574 -5.046 -3.456 1.00 23.43 H new ATOM 0 HG2 ARG A 3 3.466 -2.920 -5.206 1.00 31.33 H new ATOM 0 HG3 ARG A 3 2.953 -4.546 -5.610 1.00 31.33 H new ATOM 0 HD2 ARG A 3 2.416 -4.843 -3.103 1.00 44.44 H new ATOM 0 HD3 ARG A 3 2.636 -3.111 -2.952 1.00 44.44 H new ATOM 0 HE ARG A 3 0.355 -4.487 -4.120 1.00 51.43 H new ATOM 0 HH11 ARG A 3 2.282 -1.530 -4.195 1.00 50.12 H new ATOM 0 HH12 ARG A 3 0.952 -0.542 -4.810 1.00 50.12 H new ATOM 0 HH21 ARG A 3 -1.348 -3.211 -4.910 1.00 23.41 H new ATOM 0 HH22 ARG A 3 -1.094 -1.489 -5.213 1.00 23.41 H new ATOM 64 N PHE A 4 6.614 -3.113 -6.369 1.00 12.55 N ATOM 65 CA PHE A 4 6.866 -2.423 -7.628 1.00 50.23 C ATOM 66 C PHE A 4 6.558 -3.330 -8.816 1.00 45.01 C ATOM 67 O PHE A 4 7.181 -4.378 -8.988 1.00 33.33 O ATOM 68 CB PHE A 4 8.321 -1.953 -7.694 1.00 55.55 C ATOM 69 CG PHE A 4 8.466 -0.503 -8.060 1.00 71.14 C ATOM 70 CD1 PHE A 4 7.796 0.476 -7.345 1.00 10.32 C ATOM 71 CD2 PHE A 4 9.273 -0.120 -9.120 1.00 13.24 C ATOM 72 CE1 PHE A 4 7.927 1.811 -7.680 1.00 65.41 C ATOM 73 CE2 PHE A 4 9.408 1.213 -9.459 1.00 44.13 C ATOM 74 CZ PHE A 4 8.736 2.180 -8.738 1.00 34.42 C ATOM 0 H PHE A 4 7.002 -4.055 -6.319 1.00 12.55 H new ATOM 0 HA PHE A 4 6.209 -1.555 -7.676 1.00 50.23 H new ATOM 0 HB2 PHE A 4 8.794 -2.125 -6.727 1.00 55.55 H new ATOM 0 HB3 PHE A 4 8.858 -2.559 -8.424 1.00 55.55 H new ATOM 0 HD1 PHE A 4 7.164 0.193 -6.516 1.00 10.32 H new ATOM 0 HD2 PHE A 4 9.802 -0.872 -9.687 1.00 13.24 H new ATOM 0 HE1 PHE A 4 7.398 2.565 -7.116 1.00 65.41 H new ATOM 0 HE2 PHE A 4 10.039 1.498 -10.288 1.00 44.13 H new ATOM 0 HZ PHE A 4 8.842 3.222 -9.000 1.00 34.42 H new ATOM 84 N ASP A 5 5.594 -2.919 -9.632 1.00 65.05 N ATOM 85 CA ASP A 5 5.204 -3.693 -10.805 1.00 34.32 C ATOM 86 C ASP A 5 5.988 -3.249 -12.036 1.00 15.13 C ATOM 87 O ASP A 5 5.649 -2.251 -12.674 1.00 73.40 O ATOM 88 CB ASP A 5 3.703 -3.548 -11.061 1.00 33.40 C ATOM 89 CG ASP A 5 2.962 -4.864 -10.921 1.00 12.41 C ATOM 90 OD1 ASP A 5 3.276 -5.624 -9.981 1.00 53.24 O ATOM 91 OD2 ASP A 5 2.069 -5.133 -11.751 1.00 74.34 O ATOM 0 H ASP A 5 5.068 -2.055 -9.503 1.00 65.05 H new ATOM 0 HA ASP A 5 5.433 -4.741 -10.611 1.00 34.32 H new ATOM 0 HB2 ASP A 5 3.286 -2.824 -10.361 1.00 33.40 H new ATOM 0 HB3 ASP A 5 3.545 -3.150 -12.063 1.00 33.40 H new ATOM 96 N LEU A 6 7.037 -3.994 -12.363 1.00 61.41 N ATOM 97 CA LEU A 6 7.871 -3.677 -13.517 1.00 52.04 C ATOM 98 C LEU A 6 7.419 -4.458 -14.747 1.00 75.10 C ATOM 99 O LEU A 6 8.073 -4.428 -15.789 1.00 64.21 O ATOM 100 CB LEU A 6 9.337 -3.987 -13.213 1.00 24.41 C ATOM 101 CG LEU A 6 10.044 -3.023 -12.259 1.00 74.12 C ATOM 102 CD1 LEU A 6 9.880 -1.588 -12.734 1.00 1.42 C ATOM 103 CD2 LEU A 6 9.507 -3.183 -10.844 1.00 74.44 C ATOM 0 H LEU A 6 7.331 -4.822 -11.845 1.00 61.41 H new ATOM 0 HA LEU A 6 7.767 -2.612 -13.727 1.00 52.04 H new ATOM 0 HB2 LEU A 6 9.395 -4.991 -12.792 1.00 24.41 H new ATOM 0 HB3 LEU A 6 9.887 -4.003 -14.154 1.00 24.41 H new ATOM 0 HG LEU A 6 11.107 -3.263 -12.252 1.00 74.12 H new ATOM 0 HD11 LEU A 6 10.389 -0.916 -12.043 1.00 1.42 H new ATOM 0 HD12 LEU A 6 10.313 -1.482 -13.729 1.00 1.42 H new ATOM 0 HD13 LEU A 6 8.820 -1.336 -12.771 1.00 1.42 H new ATOM 0 HD21 LEU A 6 10.021 -2.489 -10.179 1.00 74.44 H new ATOM 0 HD22 LEU A 6 8.438 -2.970 -10.834 1.00 74.44 H new ATOM 0 HD23 LEU A 6 9.676 -4.205 -10.504 1.00 74.44 H new ATOM 115 N ARG A 7 6.294 -5.155 -14.619 1.00 10.44 N ATOM 116 CA ARG A 7 5.753 -5.943 -15.720 1.00 4.44 C ATOM 117 C ARG A 7 5.668 -5.109 -16.995 1.00 11.45 C ATOM 118 O ARG A 7 6.284 -5.422 -18.013 1.00 44.11 O ATOM 119 CB ARG A 7 4.369 -6.483 -15.357 1.00 12.42 C ATOM 120 CG ARG A 7 4.340 -7.986 -15.136 1.00 61.12 C ATOM 121 CD ARG A 7 3.149 -8.402 -14.286 1.00 45.24 C ATOM 122 NE ARG A 7 2.145 -9.121 -15.066 1.00 23.14 N ATOM 123 CZ ARG A 7 0.887 -9.282 -14.672 1.00 72.43 C ATOM 124 NH1 ARG A 7 0.480 -8.777 -13.516 1.00 23.53 N ATOM 125 NH2 ARG A 7 0.032 -9.949 -15.437 1.00 32.40 N ATOM 0 H ARG A 7 5.740 -5.190 -13.763 1.00 10.44 H new ATOM 0 HA ARG A 7 6.426 -6.781 -15.899 1.00 4.44 H new ATOM 0 HB2 ARG A 7 4.020 -5.985 -14.453 1.00 12.42 H new ATOM 0 HB3 ARG A 7 3.669 -6.228 -16.152 1.00 12.42 H new ATOM 0 HG2 ARG A 7 4.297 -8.496 -16.099 1.00 61.12 H new ATOM 0 HG3 ARG A 7 5.263 -8.301 -14.650 1.00 61.12 H new ATOM 0 HD2 ARG A 7 3.492 -9.033 -13.466 1.00 45.24 H new ATOM 0 HD3 ARG A 7 2.696 -7.517 -13.839 1.00 45.24 H new ATOM 0 HE ARG A 7 2.425 -9.521 -15.962 1.00 23.14 H new ATOM 0 HH11 ARG A 7 1.134 -8.263 -12.926 1.00 23.53 H new ATOM 0 HH12 ARG A 7 -0.487 -8.903 -13.217 1.00 23.53 H new ATOM 0 HH21 ARG A 7 0.341 -10.338 -16.328 1.00 32.40 H new ATOM 0 HH22 ARG A 7 -0.934 -10.073 -15.134 1.00 32.40 H new ATOM 139 N PRO A 8 4.885 -4.021 -16.939 1.00 1.21 N ATOM 140 CA PRO A 8 4.700 -3.119 -18.080 1.00 61.51 C ATOM 141 C PRO A 8 5.958 -2.318 -18.396 1.00 25.14 C ATOM 142 O PRO A 8 6.052 -1.676 -19.443 1.00 33.13 O ATOM 143 CB PRO A 8 3.575 -2.189 -17.619 1.00 24.33 C ATOM 144 CG PRO A 8 3.656 -2.206 -16.131 1.00 72.42 C ATOM 145 CD PRO A 8 4.121 -3.587 -15.758 1.00 14.24 C ATOM 0 HA PRO A 8 4.473 -3.663 -18.997 1.00 61.51 H new ATOM 0 HB2 PRO A 8 3.709 -1.181 -18.011 1.00 24.33 H new ATOM 0 HB3 PRO A 8 2.603 -2.540 -17.967 1.00 24.33 H new ATOM 0 HG2 PRO A 8 4.352 -1.449 -15.769 1.00 72.42 H new ATOM 0 HG3 PRO A 8 2.686 -1.987 -15.685 1.00 72.42 H new ATOM 0 HD2 PRO A 8 4.741 -3.574 -14.861 1.00 14.24 H new ATOM 0 HD3 PRO A 8 3.282 -4.252 -15.556 1.00 14.24 H new ATOM 153 N LEU A 9 6.925 -2.360 -17.485 1.00 15.42 N ATOM 154 CA LEU A 9 8.179 -1.637 -17.666 1.00 71.34 C ATOM 155 C LEU A 9 9.146 -2.435 -18.535 1.00 72.15 C ATOM 156 O LEU A 9 9.236 -3.658 -18.422 1.00 52.30 O ATOM 157 CB LEU A 9 8.820 -1.341 -16.310 1.00 5.32 C ATOM 158 CG LEU A 9 8.578 0.059 -15.744 1.00 52.13 C ATOM 159 CD1 LEU A 9 7.604 0.002 -14.578 1.00 12.03 C ATOM 160 CD2 LEU A 9 9.891 0.696 -15.314 1.00 64.40 C ATOM 0 H LEU A 9 6.864 -2.887 -16.614 1.00 15.42 H new ATOM 0 HA LEU A 9 7.958 -0.696 -18.169 1.00 71.34 H new ATOM 0 HB2 LEU A 9 8.451 -2.071 -15.589 1.00 5.32 H new ATOM 0 HB3 LEU A 9 9.896 -1.495 -16.398 1.00 5.32 H new ATOM 0 HG LEU A 9 8.139 0.676 -16.528 1.00 52.13 H new ATOM 0 HD11 LEU A 9 7.444 1.007 -14.188 1.00 12.03 H new ATOM 0 HD12 LEU A 9 6.654 -0.411 -14.917 1.00 12.03 H new ATOM 0 HD13 LEU A 9 8.015 -0.631 -13.791 1.00 12.03 H new ATOM 0 HD21 LEU A 9 9.699 1.692 -14.914 1.00 64.40 H new ATOM 0 HD22 LEU A 9 10.360 0.081 -14.546 1.00 64.40 H new ATOM 0 HD23 LEU A 9 10.557 0.773 -16.174 1.00 64.40 H new ATOM 172 N LYS A 10 9.869 -1.735 -19.402 1.00 44.14 N ATOM 173 CA LYS A 10 10.833 -2.376 -20.289 1.00 41.01 C ATOM 174 C LYS A 10 12.129 -2.690 -19.548 1.00 72.52 C ATOM 175 O LYS A 10 12.403 -2.124 -18.491 1.00 20.44 O ATOM 176 CB LYS A 10 11.127 -1.477 -21.492 1.00 74.04 C ATOM 177 CG LYS A 10 11.991 -0.274 -21.157 1.00 23.44 C ATOM 178 CD LYS A 10 12.198 0.619 -22.368 1.00 1.41 C ATOM 179 CE LYS A 10 10.993 1.514 -22.613 1.00 35.02 C ATOM 180 NZ LYS A 10 11.097 2.243 -23.907 1.00 12.31 N ATOM 0 H LYS A 10 9.806 -0.723 -19.510 1.00 44.14 H new ATOM 0 HA LYS A 10 10.399 -3.312 -20.640 1.00 41.01 H new ATOM 0 HB2 LYS A 10 11.623 -2.067 -22.263 1.00 74.04 H new ATOM 0 HB3 LYS A 10 10.184 -1.130 -21.914 1.00 74.04 H new ATOM 0 HG2 LYS A 10 11.523 0.299 -20.357 1.00 23.44 H new ATOM 0 HG3 LYS A 10 12.958 -0.612 -20.784 1.00 23.44 H new ATOM 0 HD2 LYS A 10 13.085 1.234 -22.220 1.00 1.41 H new ATOM 0 HD3 LYS A 10 12.380 0.003 -23.249 1.00 1.41 H new ATOM 0 HE2 LYS A 10 10.085 0.910 -22.608 1.00 35.02 H new ATOM 0 HE3 LYS A 10 10.902 2.232 -21.798 1.00 35.02 H new ATOM 0 HZ1 LYS A 10 10.257 2.842 -24.037 1.00 12.31 H new ATOM 0 HZ2 LYS A 10 11.949 2.839 -23.902 1.00 12.31 H new ATOM 0 HZ3 LYS A 10 11.158 1.558 -24.687 1.00 12.31 H new ATOM 194 N ALA A 11 12.922 -3.596 -20.111 1.00 45.55 N ATOM 195 CA ALA A 11 14.191 -3.982 -19.506 1.00 33.12 C ATOM 196 C ALA A 11 15.217 -2.860 -19.618 1.00 1.14 C ATOM 197 O ALA A 11 15.239 -2.121 -20.601 1.00 72.10 O ATOM 198 CB ALA A 11 14.721 -5.252 -20.156 1.00 13.43 C ATOM 0 H ALA A 11 12.708 -4.076 -20.985 1.00 45.55 H new ATOM 0 HA ALA A 11 14.017 -4.174 -18.447 1.00 33.12 H new ATOM 0 HB1 ALA A 11 15.669 -5.529 -19.695 1.00 13.43 H new ATOM 0 HB2 ALA A 11 14.001 -6.059 -20.018 1.00 13.43 H new ATOM 0 HB3 ALA A 11 14.873 -5.079 -21.221 1.00 13.43 H new ATOM 204 N GLY A 12 16.067 -2.738 -18.602 1.00 53.41 N ATOM 205 CA GLY A 12 17.084 -1.702 -18.606 1.00 75.22 C ATOM 206 C GLY A 12 16.764 -0.572 -17.649 1.00 15.53 C ATOM 207 O GLY A 12 17.642 -0.086 -16.936 1.00 2.04 O ATOM 0 H GLY A 12 16.069 -3.338 -17.777 1.00 53.41 H new ATOM 0 HA2 GLY A 12 18.045 -2.140 -18.338 1.00 75.22 H new ATOM 0 HA3 GLY A 12 17.187 -1.302 -19.615 1.00 75.22 H new ATOM 211 N ILE A 13 15.503 -0.150 -17.633 1.00 65.33 N ATOM 212 CA ILE A 13 15.071 0.931 -16.757 1.00 33.24 C ATOM 213 C ILE A 13 14.367 0.386 -15.518 1.00 50.02 C ATOM 214 O ILE A 13 14.398 1.001 -14.452 1.00 41.22 O ATOM 215 CB ILE A 13 14.124 1.902 -17.486 1.00 13.12 C ATOM 216 CG1 ILE A 13 14.703 2.288 -18.848 1.00 64.53 C ATOM 217 CG2 ILE A 13 13.880 3.142 -16.638 1.00 25.53 C ATOM 218 CD1 ILE A 13 13.819 3.227 -19.637 1.00 40.52 C ATOM 0 H ILE A 13 14.764 -0.541 -18.217 1.00 65.33 H new ATOM 0 HA ILE A 13 15.969 1.470 -16.455 1.00 33.24 H new ATOM 0 HB ILE A 13 13.169 1.402 -17.647 1.00 13.12 H new ATOM 0 HG12 ILE A 13 15.676 2.756 -18.700 1.00 64.53 H new ATOM 0 HG13 ILE A 13 14.870 1.383 -19.432 1.00 64.53 H new ATOM 0 HG21 ILE A 13 13.209 3.818 -17.167 1.00 25.53 H new ATOM 0 HG22 ILE A 13 13.428 2.851 -15.690 1.00 25.53 H new ATOM 0 HG23 ILE A 13 14.828 3.646 -16.449 1.00 25.53 H new ATOM 0 HD11 ILE A 13 14.293 3.457 -20.591 1.00 40.52 H new ATOM 0 HD12 ILE A 13 12.854 2.753 -19.816 1.00 40.52 H new ATOM 0 HD13 ILE A 13 13.672 4.148 -19.073 1.00 40.52 H new ATOM 230 N PHE A 14 13.734 -0.773 -15.666 1.00 20.10 N ATOM 231 CA PHE A 14 13.023 -1.402 -14.559 1.00 72.32 C ATOM 232 C PHE A 14 13.966 -1.672 -13.390 1.00 73.32 C ATOM 233 O PHE A 14 13.539 -1.739 -12.238 1.00 75.53 O ATOM 234 CB PHE A 14 12.375 -2.710 -15.019 1.00 50.11 C ATOM 235 CG PHE A 14 13.331 -3.867 -15.070 1.00 20.22 C ATOM 236 CD1 PHE A 14 14.465 -3.812 -15.863 1.00 44.44 C ATOM 237 CD2 PHE A 14 13.095 -5.011 -14.324 1.00 40.11 C ATOM 238 CE1 PHE A 14 15.347 -4.875 -15.912 1.00 45.30 C ATOM 239 CE2 PHE A 14 13.974 -6.077 -14.368 1.00 54.14 C ATOM 240 CZ PHE A 14 15.101 -6.009 -15.164 1.00 75.22 C ATOM 0 H PHE A 14 13.699 -1.296 -16.541 1.00 20.10 H new ATOM 0 HA PHE A 14 12.244 -0.717 -14.224 1.00 72.32 H new ATOM 0 HB2 PHE A 14 11.555 -2.956 -14.345 1.00 50.11 H new ATOM 0 HB3 PHE A 14 11.942 -2.563 -16.008 1.00 50.11 H new ATOM 0 HD1 PHE A 14 14.663 -2.928 -16.450 1.00 44.44 H new ATOM 0 HD2 PHE A 14 12.215 -5.070 -13.701 1.00 40.11 H new ATOM 0 HE1 PHE A 14 16.228 -4.819 -16.535 1.00 45.30 H new ATOM 0 HE2 PHE A 14 13.780 -6.962 -13.781 1.00 54.14 H new ATOM 0 HZ PHE A 14 15.788 -6.841 -15.201 1.00 75.22 H new ATOM 250 N GLU A 15 15.250 -1.827 -13.697 1.00 50.30 N ATOM 251 CA GLU A 15 16.253 -2.091 -12.672 1.00 40.11 C ATOM 252 C GLU A 15 16.739 -0.791 -12.038 1.00 53.42 C ATOM 253 O GLU A 15 17.195 -0.778 -10.895 1.00 1.31 O ATOM 254 CB GLU A 15 17.437 -2.853 -13.271 1.00 3.25 C ATOM 255 CG GLU A 15 18.603 -3.017 -12.310 1.00 45.33 C ATOM 256 CD GLU A 15 19.787 -2.142 -12.676 1.00 23.33 C ATOM 257 OE1 GLU A 15 20.513 -2.495 -13.629 1.00 73.11 O ATOM 258 OE2 GLU A 15 19.988 -1.106 -12.009 1.00 25.13 O ATOM 0 H GLU A 15 15.620 -1.774 -14.646 1.00 50.30 H new ATOM 0 HA GLU A 15 15.791 -2.702 -11.897 1.00 40.11 H new ATOM 0 HB2 GLU A 15 17.100 -3.839 -13.591 1.00 3.25 H new ATOM 0 HB3 GLU A 15 17.782 -2.329 -14.162 1.00 3.25 H new ATOM 0 HG2 GLU A 15 18.274 -2.773 -11.300 1.00 45.33 H new ATOM 0 HG3 GLU A 15 18.917 -4.061 -12.300 1.00 45.33 H new ATOM 265 N ARG A 16 16.637 0.301 -12.789 1.00 44.05 N ATOM 266 CA ARG A 16 17.068 1.606 -12.303 1.00 13.24 C ATOM 267 C ARG A 16 15.971 2.265 -11.472 1.00 14.23 C ATOM 268 O ARG A 16 16.250 2.965 -10.497 1.00 64.41 O ATOM 269 CB ARG A 16 17.447 2.512 -13.476 1.00 25.25 C ATOM 270 CG ARG A 16 18.942 2.565 -13.745 1.00 24.21 C ATOM 271 CD ARG A 16 19.240 2.565 -15.236 1.00 61.12 C ATOM 272 NE ARG A 16 20.228 3.578 -15.597 1.00 62.00 N ATOM 273 CZ ARG A 16 19.996 4.885 -15.540 1.00 74.40 C ATOM 274 NH1 ARG A 16 18.815 5.334 -15.138 1.00 52.23 N ATOM 275 NH2 ARG A 16 20.946 5.744 -15.885 1.00 14.42 N ATOM 0 H ARG A 16 16.260 0.308 -13.737 1.00 44.05 H new ATOM 0 HA ARG A 16 17.943 1.459 -11.669 1.00 13.24 H new ATOM 0 HB2 ARG A 16 16.937 2.163 -14.374 1.00 25.25 H new ATOM 0 HB3 ARG A 16 17.086 3.521 -13.276 1.00 25.25 H new ATOM 0 HG2 ARG A 16 19.363 3.461 -13.289 1.00 24.21 H new ATOM 0 HG3 ARG A 16 19.428 1.709 -13.276 1.00 24.21 H new ATOM 0 HD2 ARG A 16 19.604 1.581 -15.533 1.00 61.12 H new ATOM 0 HD3 ARG A 16 18.318 2.744 -15.790 1.00 61.12 H new ATOM 0 HE ARG A 16 21.147 3.265 -15.910 1.00 62.00 H new ATOM 0 HH11 ARG A 16 18.083 4.676 -14.872 1.00 52.23 H new ATOM 0 HH12 ARG A 16 18.639 6.338 -15.095 1.00 52.23 H new ATOM 0 HH21 ARG A 16 21.856 5.401 -16.194 1.00 14.42 H new ATOM 0 HH22 ARG A 16 20.767 6.747 -15.841 1.00 14.42 H new ATOM 289 N LEU A 17 14.722 2.038 -11.864 1.00 32.04 N ATOM 290 CA LEU A 17 13.582 2.610 -11.156 1.00 33.24 C ATOM 291 C LEU A 17 13.381 1.928 -9.806 1.00 2.22 C ATOM 292 O LEU A 17 12.834 2.520 -8.877 1.00 15.24 O ATOM 293 CB LEU A 17 12.313 2.477 -12.000 1.00 41.30 C ATOM 294 CG LEU A 17 11.596 3.784 -12.344 1.00 64.51 C ATOM 295 CD1 LEU A 17 11.173 4.510 -11.077 1.00 34.31 C ATOM 296 CD2 LEU A 17 12.489 4.673 -13.197 1.00 71.25 C ATOM 0 H LEU A 17 14.473 1.462 -12.668 1.00 32.04 H new ATOM 0 HA LEU A 17 13.787 3.666 -10.982 1.00 33.24 H new ATOM 0 HB2 LEU A 17 12.571 1.971 -12.931 1.00 41.30 H new ATOM 0 HB3 LEU A 17 11.614 1.831 -11.469 1.00 41.30 H new ATOM 0 HG LEU A 17 10.700 3.545 -12.917 1.00 64.51 H new ATOM 0 HD11 LEU A 17 10.665 5.437 -11.341 1.00 34.31 H new ATOM 0 HD12 LEU A 17 10.497 3.876 -10.503 1.00 34.31 H new ATOM 0 HD13 LEU A 17 12.054 4.738 -10.477 1.00 34.31 H new ATOM 0 HD21 LEU A 17 11.963 5.598 -13.432 1.00 71.25 H new ATOM 0 HD22 LEU A 17 13.402 4.904 -12.649 1.00 71.25 H new ATOM 0 HD23 LEU A 17 12.742 4.154 -14.122 1.00 71.25 H new ATOM 308 N GLU A 18 13.831 0.681 -9.706 1.00 13.01 N ATOM 309 CA GLU A 18 13.701 -0.080 -8.469 1.00 4.13 C ATOM 310 C GLU A 18 14.398 0.635 -7.315 1.00 13.44 C ATOM 311 O GLU A 18 14.045 0.447 -6.151 1.00 73.41 O ATOM 312 CB GLU A 18 14.289 -1.482 -8.643 1.00 34.23 C ATOM 313 CG GLU A 18 13.376 -2.590 -8.144 1.00 61.24 C ATOM 314 CD GLU A 18 12.986 -3.562 -9.241 1.00 24.41 C ATOM 315 OE1 GLU A 18 12.489 -3.103 -10.291 1.00 23.33 O ATOM 316 OE2 GLU A 18 13.178 -4.781 -9.050 1.00 30.34 O ATOM 0 H GLU A 18 14.288 0.177 -10.466 1.00 13.01 H new ATOM 0 HA GLU A 18 12.640 -0.165 -8.234 1.00 4.13 H new ATOM 0 HB2 GLU A 18 14.505 -1.648 -9.698 1.00 34.23 H new ATOM 0 HB3 GLU A 18 15.239 -1.537 -8.111 1.00 34.23 H new ATOM 0 HG2 GLU A 18 13.875 -3.134 -7.342 1.00 61.24 H new ATOM 0 HG3 GLU A 18 12.475 -2.149 -7.717 1.00 61.24 H new ATOM 323 N GLU A 19 15.389 1.457 -7.647 1.00 30.41 N ATOM 324 CA GLU A 19 16.136 2.199 -6.638 1.00 73.12 C ATOM 325 C GLU A 19 15.382 3.458 -6.220 1.00 50.35 C ATOM 326 O GLU A 19 15.518 3.931 -5.091 1.00 40.33 O ATOM 327 CB GLU A 19 17.521 2.573 -7.170 1.00 11.03 C ATOM 328 CG GLU A 19 18.279 3.534 -6.270 1.00 1.14 C ATOM 329 CD GLU A 19 18.321 4.944 -6.826 1.00 2.12 C ATOM 330 OE1 GLU A 19 17.243 5.496 -7.127 1.00 15.44 O ATOM 331 OE2 GLU A 19 19.434 5.495 -6.960 1.00 10.33 O ATOM 0 H GLU A 19 15.693 1.626 -8.606 1.00 30.41 H new ATOM 0 HA GLU A 19 16.252 1.559 -5.764 1.00 73.12 H new ATOM 0 HB2 GLU A 19 18.110 1.665 -7.296 1.00 11.03 H new ATOM 0 HB3 GLU A 19 17.413 3.022 -8.157 1.00 11.03 H new ATOM 0 HG2 GLU A 19 17.811 3.549 -5.286 1.00 1.14 H new ATOM 0 HG3 GLU A 19 19.298 3.171 -6.133 1.00 1.14 H new ATOM 338 N LEU A 20 14.588 3.997 -7.139 1.00 34.11 N ATOM 339 CA LEU A 20 13.812 5.202 -6.868 1.00 13.14 C ATOM 340 C LEU A 20 12.776 4.949 -5.777 1.00 75.32 C ATOM 341 O LEU A 20 12.441 5.847 -5.004 1.00 42.23 O ATOM 342 CB LEU A 20 13.119 5.684 -8.143 1.00 52.42 C ATOM 343 CG LEU A 20 13.638 6.996 -8.734 1.00 74.10 C ATOM 344 CD1 LEU A 20 14.580 6.722 -9.896 1.00 54.11 C ATOM 345 CD2 LEU A 20 12.478 7.875 -9.180 1.00 45.04 C ATOM 0 H LEU A 20 14.465 3.619 -8.078 1.00 34.11 H new ATOM 0 HA LEU A 20 14.498 5.975 -6.520 1.00 13.14 H new ATOM 0 HB2 LEU A 20 13.213 4.905 -8.900 1.00 52.42 H new ATOM 0 HB3 LEU A 20 12.055 5.799 -7.934 1.00 52.42 H new ATOM 0 HG LEU A 20 14.194 7.527 -7.961 1.00 74.10 H new ATOM 0 HD11 LEU A 20 14.939 7.667 -10.304 1.00 54.11 H new ATOM 0 HD12 LEU A 20 15.427 6.132 -9.546 1.00 54.11 H new ATOM 0 HD13 LEU A 20 14.050 6.170 -10.672 1.00 54.11 H new ATOM 0 HD21 LEU A 20 12.865 8.804 -9.598 1.00 45.04 H new ATOM 0 HD22 LEU A 20 11.895 7.351 -9.938 1.00 45.04 H new ATOM 0 HD23 LEU A 20 11.842 8.100 -8.324 1.00 45.04 H new ATOM 357 N ILE A 21 12.273 3.720 -5.720 1.00 51.10 N ATOM 358 CA ILE A 21 11.278 3.348 -4.722 1.00 54.22 C ATOM 359 C ILE A 21 11.941 2.907 -3.422 1.00 60.41 C ATOM 360 O ILE A 21 11.394 3.103 -2.337 1.00 42.04 O ATOM 361 CB ILE A 21 10.366 2.216 -5.231 1.00 24.41 C ATOM 362 CG1 ILE A 21 9.303 1.878 -4.184 1.00 21.32 C ATOM 363 CG2 ILE A 21 11.192 0.984 -5.572 1.00 1.04 C ATOM 364 CD1 ILE A 21 8.440 3.058 -3.796 1.00 50.15 C ATOM 0 H ILE A 21 12.538 2.966 -6.353 1.00 51.10 H new ATOM 0 HA ILE A 21 10.672 4.235 -4.535 1.00 54.22 H new ATOM 0 HB ILE A 21 9.862 2.554 -6.136 1.00 24.41 H new ATOM 0 HG12 ILE A 21 8.665 1.083 -4.570 1.00 21.32 H new ATOM 0 HG13 ILE A 21 9.794 1.489 -3.292 1.00 21.32 H new ATOM 0 HG21 ILE A 21 10.534 0.192 -5.930 1.00 1.04 H new ATOM 0 HG22 ILE A 21 11.915 1.234 -6.349 1.00 1.04 H new ATOM 0 HG23 ILE A 21 11.720 0.642 -4.682 1.00 1.04 H new ATOM 0 HD11 ILE A 21 7.709 2.745 -3.050 1.00 50.15 H new ATOM 0 HD12 ILE A 21 9.067 3.846 -3.380 1.00 50.15 H new ATOM 0 HD13 ILE A 21 7.921 3.434 -4.677 1.00 50.15 H new ATOM 376 N GLU A 22 13.124 2.311 -3.540 1.00 75.31 N ATOM 377 CA GLU A 22 13.862 1.842 -2.373 1.00 50.32 C ATOM 378 C GLU A 22 14.101 2.982 -1.387 1.00 41.21 C ATOM 379 O GLU A 22 14.242 2.759 -0.184 1.00 52.15 O ATOM 380 CB GLU A 22 15.199 1.233 -2.799 1.00 63.11 C ATOM 381 CG GLU A 22 15.330 -0.243 -2.462 1.00 43.03 C ATOM 382 CD GLU A 22 14.444 -1.119 -3.326 1.00 32.42 C ATOM 383 OE1 GLU A 22 13.448 -0.600 -3.871 1.00 52.44 O ATOM 384 OE2 GLU A 22 14.745 -2.324 -3.456 1.00 25.02 O ATOM 0 H GLU A 22 13.591 2.142 -4.431 1.00 75.31 H new ATOM 0 HA GLU A 22 13.263 1.077 -1.879 1.00 50.32 H new ATOM 0 HB2 GLU A 22 15.322 1.364 -3.874 1.00 63.11 H new ATOM 0 HB3 GLU A 22 16.008 1.781 -2.316 1.00 63.11 H new ATOM 0 HG2 GLU A 22 16.369 -0.549 -2.585 1.00 43.03 H new ATOM 0 HG3 GLU A 22 15.075 -0.397 -1.413 1.00 43.03 H new ATOM 391 N LYS A 23 14.146 4.205 -1.905 1.00 65.11 N ATOM 392 CA LYS A 23 14.368 5.381 -1.073 1.00 12.33 C ATOM 393 C LYS A 23 13.202 5.596 -0.113 1.00 54.12 C ATOM 394 O LYS A 23 13.391 6.044 1.017 1.00 41.10 O ATOM 395 CB LYS A 23 14.557 6.622 -1.948 1.00 3.42 C ATOM 396 CG LYS A 23 16.008 7.048 -2.093 1.00 51.40 C ATOM 397 CD LYS A 23 16.139 8.559 -2.188 1.00 54.30 C ATOM 398 CE LYS A 23 15.963 9.220 -0.830 1.00 12.54 C ATOM 399 NZ LYS A 23 15.168 10.476 -0.923 1.00 15.15 N ATOM 0 H LYS A 23 14.031 4.407 -2.898 1.00 65.11 H new ATOM 0 HA LYS A 23 15.272 5.216 -0.488 1.00 12.33 H new ATOM 0 HB2 LYS A 23 14.144 6.425 -2.937 1.00 3.42 H new ATOM 0 HB3 LYS A 23 13.986 7.447 -1.523 1.00 3.42 H new ATOM 0 HG2 LYS A 23 16.582 6.685 -1.240 1.00 51.40 H new ATOM 0 HG3 LYS A 23 16.436 6.588 -2.984 1.00 51.40 H new ATOM 0 HD2 LYS A 23 17.117 8.816 -2.595 1.00 54.30 H new ATOM 0 HD3 LYS A 23 15.393 8.947 -2.882 1.00 54.30 H new ATOM 0 HE2 LYS A 23 15.468 8.527 -0.150 1.00 12.54 H new ATOM 0 HE3 LYS A 23 16.942 9.440 -0.404 1.00 12.54 H new ATOM 0 HZ1 LYS A 23 15.071 10.896 0.023 1.00 15.15 H new ATOM 0 HZ2 LYS A 23 15.653 11.148 -1.552 1.00 15.15 H new ATOM 0 HZ3 LYS A 23 14.225 10.262 -1.306 1.00 15.15 H new ATOM 413 N GLU A 24 11.996 5.272 -0.572 1.00 5.04 N ATOM 414 CA GLU A 24 10.801 5.430 0.248 1.00 74.44 C ATOM 415 C GLU A 24 10.642 4.257 1.211 1.00 64.52 C ATOM 416 O GLU A 24 10.322 4.442 2.384 1.00 11.33 O ATOM 417 CB GLU A 24 9.559 5.546 -0.640 1.00 3.15 C ATOM 418 CG GLU A 24 8.712 6.771 -0.342 1.00 55.51 C ATOM 419 CD GLU A 24 7.295 6.416 0.067 1.00 24.30 C ATOM 420 OE1 GLU A 24 6.463 6.170 -0.831 1.00 40.12 O ATOM 421 OE2 GLU A 24 7.019 6.383 1.284 1.00 4.23 O ATOM 0 H GLU A 24 11.822 4.899 -1.505 1.00 5.04 H new ATOM 0 HA GLU A 24 10.910 6.344 0.831 1.00 74.44 H new ATOM 0 HB2 GLU A 24 9.870 5.575 -1.684 1.00 3.15 H new ATOM 0 HB3 GLU A 24 8.948 4.652 -0.514 1.00 3.15 H new ATOM 0 HG2 GLU A 24 9.182 7.348 0.454 1.00 55.51 H new ATOM 0 HG3 GLU A 24 8.682 7.411 -1.224 1.00 55.51 H new ATOM 428 N MET A 25 10.869 3.049 0.705 1.00 23.40 N ATOM 429 CA MET A 25 10.753 1.845 1.520 1.00 12.02 C ATOM 430 C MET A 25 11.571 1.975 2.801 1.00 61.51 C ATOM 431 O MET A 25 12.631 2.600 2.810 1.00 53.24 O ATOM 432 CB MET A 25 11.214 0.620 0.728 1.00 0.10 C ATOM 433 CG MET A 25 10.393 0.362 -0.525 1.00 42.52 C ATOM 434 SD MET A 25 8.665 -0.001 -0.161 1.00 61.21 S ATOM 435 CE MET A 25 8.823 -1.562 0.703 1.00 35.12 C ATOM 0 H MET A 25 11.134 2.878 -0.265 1.00 23.40 H new ATOM 0 HA MET A 25 9.705 1.719 1.791 1.00 12.02 H new ATOM 0 HB2 MET A 25 12.259 0.751 0.447 1.00 0.10 H new ATOM 0 HB3 MET A 25 11.165 -0.258 1.372 1.00 0.10 H new ATOM 0 HG2 MET A 25 10.447 1.234 -1.176 1.00 42.52 H new ATOM 0 HG3 MET A 25 10.828 -0.473 -1.074 1.00 42.52 H new ATOM 0 HE1 MET A 25 8.274 -2.334 0.164 1.00 35.12 H new ATOM 0 HE2 MET A 25 9.875 -1.840 0.762 1.00 35.12 H new ATOM 0 HE3 MET A 25 8.416 -1.464 1.709 1.00 35.12 H new ATOM 445 N GLN A 26 11.072 1.380 3.880 1.00 71.44 N ATOM 446 CA GLN A 26 11.757 1.430 5.165 1.00 5.35 C ATOM 447 C GLN A 26 13.086 0.684 5.104 1.00 42.23 C ATOM 448 O GLN A 26 13.323 -0.140 4.221 1.00 74.35 O ATOM 449 CB GLN A 26 10.874 0.833 6.262 1.00 20.01 C ATOM 450 CG GLN A 26 10.276 1.873 7.196 1.00 45.11 C ATOM 451 CD GLN A 26 8.778 2.020 7.023 1.00 54.32 C ATOM 452 OE1 GLN A 26 8.081 1.058 6.700 1.00 71.13 O ATOM 453 NE2 GLN A 26 8.273 3.230 7.238 1.00 74.55 N ATOM 0 H GLN A 26 10.196 0.858 3.889 1.00 71.44 H new ATOM 0 HA GLN A 26 11.958 2.475 5.399 1.00 5.35 H new ATOM 0 HB2 GLN A 26 10.067 0.266 5.798 1.00 20.01 H new ATOM 0 HB3 GLN A 26 11.464 0.127 6.847 1.00 20.01 H new ATOM 0 HG2 GLN A 26 10.493 1.597 8.228 1.00 45.11 H new ATOM 0 HG3 GLN A 26 10.755 2.836 7.016 1.00 45.11 H new ATOM 0 HE21 GLN A 26 8.888 3.999 7.504 1.00 74.55 H new ATOM 0 HE22 GLN A 26 7.271 3.390 7.137 1.00 74.55 H new ATOM 462 N PRO A 27 13.976 0.979 6.063 1.00 30.01 N ATOM 463 CA PRO A 27 15.296 0.347 6.140 1.00 63.35 C ATOM 464 C PRO A 27 15.213 -1.124 6.532 1.00 32.34 C ATOM 465 O PRO A 27 16.217 -1.835 6.528 1.00 34.43 O ATOM 466 CB PRO A 27 16.012 1.151 7.227 1.00 23.15 C ATOM 467 CG PRO A 27 14.917 1.699 8.076 1.00 43.43 C ATOM 468 CD PRO A 27 13.761 1.952 7.148 1.00 64.34 C ATOM 0 HA PRO A 27 15.808 0.355 5.178 1.00 63.35 H new ATOM 0 HB2 PRO A 27 16.685 0.520 7.808 1.00 23.15 H new ATOM 0 HB3 PRO A 27 16.616 1.949 6.796 1.00 23.15 H new ATOM 0 HG2 PRO A 27 14.641 0.994 8.860 1.00 43.43 H new ATOM 0 HG3 PRO A 27 15.229 2.619 8.570 1.00 43.43 H new ATOM 0 HD2 PRO A 27 12.804 1.794 7.646 1.00 64.34 H new ATOM 0 HD3 PRO A 27 13.761 2.976 6.775 1.00 64.34 H new ATOM 476 N ASN A 28 14.009 -1.574 6.871 1.00 31.12 N ATOM 477 CA ASN A 28 13.795 -2.961 7.267 1.00 72.41 C ATOM 478 C ASN A 28 12.440 -3.464 6.778 1.00 15.42 C ATOM 479 O ASN A 28 11.787 -4.266 7.445 1.00 1.21 O ATOM 480 CB ASN A 28 13.884 -3.099 8.788 1.00 30.21 C ATOM 481 CG ASN A 28 14.584 -4.376 9.213 1.00 42.50 C ATOM 482 OD1 ASN A 28 13.995 -5.456 9.192 1.00 30.35 O ATOM 483 ND2 ASN A 28 15.848 -4.256 9.601 1.00 4.52 N ATOM 0 H ASN A 28 13.167 -0.998 6.879 1.00 31.12 H new ATOM 0 HA ASN A 28 14.575 -3.568 6.808 1.00 72.41 H new ATOM 0 HB2 ASN A 28 14.418 -2.242 9.197 1.00 30.21 H new ATOM 0 HB3 ASN A 28 12.880 -3.080 9.211 1.00 30.21 H new ATOM 0 HD21 ASN A 28 16.371 -5.080 9.898 1.00 4.52 H new ATOM 0 HD22 ASN A 28 16.296 -3.340 9.602 1.00 4.52 H new ATOM 490 N GLU A 29 12.024 -2.986 5.610 1.00 53.55 N ATOM 491 CA GLU A 29 10.746 -3.386 5.032 1.00 21.21 C ATOM 492 C GLU A 29 10.956 -4.282 3.815 1.00 62.21 C ATOM 493 O GLU A 29 12.047 -4.331 3.246 1.00 2.45 O ATOM 494 CB GLU A 29 9.931 -2.153 4.637 1.00 73.22 C ATOM 495 CG GLU A 29 8.728 -1.906 5.532 1.00 4.23 C ATOM 496 CD GLU A 29 7.531 -2.754 5.149 1.00 2.11 C ATOM 497 OE1 GLU A 29 7.639 -3.996 5.213 1.00 74.21 O ATOM 498 OE2 GLU A 29 6.486 -2.174 4.786 1.00 64.25 O ATOM 0 H GLU A 29 12.553 -2.321 5.045 1.00 53.55 H new ATOM 0 HA GLU A 29 10.196 -3.949 5.786 1.00 21.21 H new ATOM 0 HB2 GLU A 29 10.578 -1.276 4.663 1.00 73.22 H new ATOM 0 HB3 GLU A 29 9.590 -2.268 3.608 1.00 73.22 H new ATOM 0 HG2 GLU A 29 9.001 -2.115 6.566 1.00 4.23 H new ATOM 0 HG3 GLU A 29 8.453 -0.852 5.482 1.00 4.23 H new ATOM 505 N VAL A 30 9.903 -4.991 3.420 1.00 23.34 N ATOM 506 CA VAL A 30 9.971 -5.886 2.271 1.00 40.41 C ATOM 507 C VAL A 30 9.447 -5.204 1.012 1.00 14.53 C ATOM 508 O VAL A 30 8.498 -4.422 1.067 1.00 13.12 O ATOM 509 CB VAL A 30 9.166 -7.176 2.516 1.00 43.15 C ATOM 510 CG1 VAL A 30 7.680 -6.926 2.311 1.00 41.54 C ATOM 511 CG2 VAL A 30 9.658 -8.291 1.605 1.00 41.32 C ATOM 0 H VAL A 30 8.993 -4.963 3.879 1.00 23.34 H new ATOM 0 HA VAL A 30 11.021 -6.143 2.131 1.00 40.41 H new ATOM 0 HB VAL A 30 9.318 -7.488 3.549 1.00 43.15 H new ATOM 0 HG11 VAL A 30 7.128 -7.849 2.489 1.00 41.54 H new ATOM 0 HG12 VAL A 30 7.340 -6.160 3.008 1.00 41.54 H new ATOM 0 HG13 VAL A 30 7.505 -6.590 1.289 1.00 41.54 H new ATOM 0 HG21 VAL A 30 9.079 -9.195 1.791 1.00 41.32 H new ATOM 0 HG22 VAL A 30 9.537 -7.990 0.564 1.00 41.32 H new ATOM 0 HG23 VAL A 30 10.711 -8.487 1.806 1.00 41.32 H new ATOM 521 N ALA A 31 10.071 -5.505 -0.121 1.00 73.45 N ATOM 522 CA ALA A 31 9.665 -4.924 -1.395 1.00 5.51 C ATOM 523 C ALA A 31 9.506 -5.999 -2.464 1.00 32.20 C ATOM 524 O ALA A 31 10.471 -6.669 -2.832 1.00 60.33 O ATOM 525 CB ALA A 31 10.676 -3.878 -1.843 1.00 13.44 C ATOM 0 H ALA A 31 10.860 -6.148 -0.183 1.00 73.45 H new ATOM 0 HA ALA A 31 8.697 -4.443 -1.254 1.00 5.51 H new ATOM 0 HB1 ALA A 31 10.361 -3.452 -2.796 1.00 13.44 H new ATOM 0 HB2 ALA A 31 10.738 -3.088 -1.095 1.00 13.44 H new ATOM 0 HB3 ALA A 31 11.654 -4.344 -1.960 1.00 13.44 H new ATOM 531 N ILE A 32 8.283 -6.159 -2.958 1.00 34.35 N ATOM 532 CA ILE A 32 7.998 -7.154 -3.985 1.00 11.44 C ATOM 533 C ILE A 32 8.056 -6.537 -5.378 1.00 11.20 C ATOM 534 O ILE A 32 7.180 -5.762 -5.762 1.00 41.54 O ATOM 535 CB ILE A 32 6.614 -7.797 -3.777 1.00 51.33 C ATOM 536 CG1 ILE A 32 6.561 -8.521 -2.431 1.00 34.33 C ATOM 537 CG2 ILE A 32 6.301 -8.757 -4.915 1.00 35.34 C ATOM 538 CD1 ILE A 32 5.455 -8.029 -1.523 1.00 71.42 C ATOM 0 H ILE A 32 7.474 -5.613 -2.664 1.00 34.35 H new ATOM 0 HA ILE A 32 8.764 -7.925 -3.899 1.00 11.44 H new ATOM 0 HB ILE A 32 5.860 -7.010 -3.774 1.00 51.33 H new ATOM 0 HG12 ILE A 32 6.428 -9.588 -2.607 1.00 34.33 H new ATOM 0 HG13 ILE A 32 7.518 -8.398 -1.924 1.00 34.33 H new ATOM 0 HG21 ILE A 32 5.320 -9.204 -4.755 1.00 35.34 H new ATOM 0 HG22 ILE A 32 6.302 -8.214 -5.860 1.00 35.34 H new ATOM 0 HG23 ILE A 32 7.056 -9.542 -4.947 1.00 35.34 H new ATOM 0 HD11 ILE A 32 5.478 -8.587 -0.587 1.00 71.42 H new ATOM 0 HD12 ILE A 32 5.598 -6.968 -1.317 1.00 71.42 H new ATOM 0 HD13 ILE A 32 4.491 -8.177 -2.010 1.00 71.42 H new ATOM 550 N PHE A 33 9.093 -6.888 -6.132 1.00 14.33 N ATOM 551 CA PHE A 33 9.265 -6.369 -7.484 1.00 30.42 C ATOM 552 C PHE A 33 8.899 -7.426 -8.522 1.00 64.20 C ATOM 553 O PHE A 33 9.596 -8.429 -8.674 1.00 31.32 O ATOM 554 CB PHE A 33 10.708 -5.908 -7.696 1.00 4.03 C ATOM 555 CG PHE A 33 11.210 -4.994 -6.615 1.00 24.25 C ATOM 556 CD1 PHE A 33 10.372 -4.052 -6.041 1.00 31.13 C ATOM 557 CD2 PHE A 33 12.521 -5.078 -6.172 1.00 14.24 C ATOM 558 CE1 PHE A 33 10.832 -3.210 -5.046 1.00 52.43 C ATOM 559 CE2 PHE A 33 12.986 -4.238 -5.177 1.00 70.20 C ATOM 560 CZ PHE A 33 12.140 -3.304 -4.613 1.00 51.40 C ATOM 0 H PHE A 33 9.826 -7.529 -5.830 1.00 14.33 H new ATOM 0 HA PHE A 33 8.597 -5.517 -7.607 1.00 30.42 H new ATOM 0 HB2 PHE A 33 11.356 -6.783 -7.751 1.00 4.03 H new ATOM 0 HB3 PHE A 33 10.780 -5.397 -8.656 1.00 4.03 H new ATOM 0 HD1 PHE A 33 9.348 -3.975 -6.375 1.00 31.13 H new ATOM 0 HD2 PHE A 33 13.187 -5.808 -6.609 1.00 14.24 H new ATOM 0 HE1 PHE A 33 10.169 -2.479 -4.607 1.00 52.43 H new ATOM 0 HE2 PHE A 33 14.010 -4.312 -4.841 1.00 70.20 H new ATOM 0 HZ PHE A 33 12.501 -2.648 -3.834 1.00 51.40 H new ATOM 570 N MET A 34 7.801 -7.193 -9.234 1.00 4.14 N ATOM 571 CA MET A 34 7.343 -8.124 -10.258 1.00 60.11 C ATOM 572 C MET A 34 8.060 -7.873 -11.581 1.00 20.22 C ATOM 573 O MET A 34 8.109 -6.743 -12.067 1.00 73.23 O ATOM 574 CB MET A 34 5.831 -7.998 -10.452 1.00 52.03 C ATOM 575 CG MET A 34 5.135 -9.329 -10.687 1.00 41.01 C ATOM 576 SD MET A 34 3.354 -9.239 -10.419 1.00 43.22 S ATOM 577 CE MET A 34 3.295 -8.791 -8.686 1.00 31.10 C ATOM 0 H MET A 34 7.212 -6.368 -9.120 1.00 4.14 H new ATOM 0 HA MET A 34 7.576 -9.135 -9.925 1.00 60.11 H new ATOM 0 HB2 MET A 34 5.399 -7.522 -9.572 1.00 52.03 H new ATOM 0 HB3 MET A 34 5.635 -7.340 -11.299 1.00 52.03 H new ATOM 0 HG2 MET A 34 5.329 -9.661 -11.707 1.00 41.01 H new ATOM 0 HG3 MET A 34 5.561 -10.080 -10.022 1.00 41.01 H new ATOM 0 HE1 MET A 34 2.921 -9.634 -8.105 1.00 31.10 H new ATOM 0 HE2 MET A 34 4.296 -8.530 -8.343 1.00 31.10 H new ATOM 0 HE3 MET A 34 2.632 -7.936 -8.554 1.00 31.10 H new ATOM 587 N PHE A 35 8.616 -8.933 -12.158 1.00 33.40 N ATOM 588 CA PHE A 35 9.331 -8.827 -13.424 1.00 64.31 C ATOM 589 C PHE A 35 8.826 -9.864 -14.423 1.00 61.20 C ATOM 590 O PHE A 35 8.788 -11.058 -14.128 1.00 25.13 O ATOM 591 CB PHE A 35 10.834 -9.007 -13.201 1.00 64.33 C ATOM 592 CG PHE A 35 11.214 -10.392 -12.761 1.00 74.54 C ATOM 593 CD1 PHE A 35 10.941 -10.823 -11.473 1.00 24.30 C ATOM 594 CD2 PHE A 35 11.843 -11.264 -13.636 1.00 53.42 C ATOM 595 CE1 PHE A 35 11.289 -12.098 -11.065 1.00 14.50 C ATOM 596 CE2 PHE A 35 12.192 -12.539 -13.234 1.00 52.11 C ATOM 597 CZ PHE A 35 11.916 -12.956 -11.947 1.00 34.04 C ATOM 0 H PHE A 35 8.585 -9.875 -11.769 1.00 33.40 H new ATOM 0 HA PHE A 35 9.147 -7.834 -13.834 1.00 64.31 H new ATOM 0 HB2 PHE A 35 11.361 -8.771 -14.125 1.00 64.33 H new ATOM 0 HB3 PHE A 35 11.170 -8.291 -12.451 1.00 64.33 H new ATOM 0 HD1 PHE A 35 10.451 -10.156 -10.779 1.00 24.30 H new ATOM 0 HD2 PHE A 35 12.063 -10.943 -14.644 1.00 53.42 H new ATOM 0 HE1 PHE A 35 11.071 -12.422 -10.058 1.00 14.50 H new ATOM 0 HE2 PHE A 35 12.680 -13.209 -13.926 1.00 52.11 H new ATOM 0 HZ PHE A 35 12.190 -13.952 -11.631 1.00 34.04 H new ATOM 607 N GLU A 36 8.438 -9.398 -15.606 1.00 3.30 N ATOM 608 CA GLU A 36 7.934 -10.284 -16.648 1.00 31.41 C ATOM 609 C GLU A 36 8.994 -10.524 -17.719 1.00 1.20 C ATOM 610 O GLU A 36 8.867 -11.430 -18.542 1.00 63.05 O ATOM 611 CB GLU A 36 6.674 -9.694 -17.285 1.00 31.32 C ATOM 612 CG GLU A 36 6.931 -8.424 -18.078 1.00 14.12 C ATOM 613 CD GLU A 36 6.963 -8.667 -19.574 1.00 42.22 C ATOM 614 OE1 GLU A 36 7.232 -9.816 -19.982 1.00 62.13 O ATOM 615 OE2 GLU A 36 6.720 -7.708 -20.337 1.00 22.51 O ATOM 0 H GLU A 36 8.463 -8.412 -15.866 1.00 3.30 H new ATOM 0 HA GLU A 36 7.686 -11.240 -16.187 1.00 31.41 H new ATOM 0 HB2 GLU A 36 6.227 -10.439 -17.943 1.00 31.32 H new ATOM 0 HB3 GLU A 36 5.946 -9.482 -16.502 1.00 31.32 H new ATOM 0 HG2 GLU A 36 6.155 -7.694 -17.849 1.00 14.12 H new ATOM 0 HG3 GLU A 36 7.880 -7.990 -17.764 1.00 14.12 H new ATOM 622 N VAL A 37 10.040 -9.704 -17.702 1.00 2.35 N ATOM 623 CA VAL A 37 11.123 -9.825 -18.670 1.00 23.41 C ATOM 624 C VAL A 37 12.066 -10.965 -18.300 1.00 2.35 C ATOM 625 O VAL A 37 12.184 -11.332 -17.131 1.00 60.14 O ATOM 626 CB VAL A 37 11.931 -8.518 -18.775 1.00 64.54 C ATOM 627 CG1 VAL A 37 12.842 -8.550 -19.993 1.00 60.34 C ATOM 628 CG2 VAL A 37 10.998 -7.318 -18.828 1.00 62.33 C ATOM 0 H VAL A 37 10.160 -8.948 -17.028 1.00 2.35 H new ATOM 0 HA VAL A 37 10.663 -10.037 -19.635 1.00 23.41 H new ATOM 0 HB VAL A 37 12.555 -8.425 -17.886 1.00 64.54 H new ATOM 0 HG11 VAL A 37 13.405 -7.618 -20.051 1.00 60.34 H new ATOM 0 HG12 VAL A 37 13.534 -9.388 -19.908 1.00 60.34 H new ATOM 0 HG13 VAL A 37 12.240 -8.667 -20.894 1.00 60.34 H new ATOM 0 HG21 VAL A 37 11.586 -6.403 -18.902 1.00 62.33 H new ATOM 0 HG22 VAL A 37 10.346 -7.402 -19.698 1.00 62.33 H new ATOM 0 HG23 VAL A 37 10.392 -7.288 -17.922 1.00 62.33 H new ATOM 638 N GLY A 38 12.737 -11.521 -19.304 1.00 4.52 N ATOM 639 CA GLY A 38 13.662 -12.613 -19.063 1.00 43.33 C ATOM 640 C GLY A 38 14.894 -12.171 -18.299 1.00 24.34 C ATOM 641 O GLY A 38 15.686 -13.001 -17.851 1.00 33.34 O ATOM 0 H GLY A 38 12.657 -11.235 -20.280 1.00 4.52 H new ATOM 0 HA2 GLY A 38 13.154 -13.399 -18.504 1.00 43.33 H new ATOM 0 HA3 GLY A 38 13.965 -13.045 -20.017 1.00 43.33 H new ATOM 645 N ASP A 39 15.059 -10.861 -18.150 1.00 72.51 N ATOM 646 CA ASP A 39 16.204 -10.311 -17.435 1.00 1.22 C ATOM 647 C ASP A 39 16.113 -10.619 -15.944 1.00 32.04 C ATOM 648 O ASP A 39 15.619 -9.807 -15.160 1.00 62.43 O ATOM 649 CB ASP A 39 16.289 -8.799 -17.652 1.00 21.24 C ATOM 650 CG ASP A 39 16.874 -8.440 -19.004 1.00 33.15 C ATOM 651 OD1 ASP A 39 16.105 -8.384 -19.987 1.00 22.14 O ATOM 652 OD2 ASP A 39 18.099 -8.214 -19.078 1.00 64.34 O ATOM 0 H ASP A 39 14.414 -10.160 -18.515 1.00 72.51 H new ATOM 0 HA ASP A 39 17.106 -10.778 -17.829 1.00 1.22 H new ATOM 0 HB2 ASP A 39 15.293 -8.366 -17.564 1.00 21.24 H new ATOM 0 HB3 ASP A 39 16.900 -8.356 -16.866 1.00 21.24 H new ATOM 657 N PHE A 40 16.591 -11.797 -15.558 1.00 30.42 N ATOM 658 CA PHE A 40 16.562 -12.214 -14.161 1.00 35.14 C ATOM 659 C PHE A 40 17.819 -11.754 -13.429 1.00 65.54 C ATOM 660 O PHE A 40 17.790 -11.489 -12.228 1.00 12.22 O ATOM 661 CB PHE A 40 16.428 -13.735 -14.063 1.00 21.23 C ATOM 662 CG PHE A 40 17.621 -14.477 -14.594 1.00 4.05 C ATOM 663 CD1 PHE A 40 17.697 -14.827 -15.932 1.00 43.51 C ATOM 664 CD2 PHE A 40 18.667 -14.825 -13.754 1.00 20.23 C ATOM 665 CE1 PHE A 40 18.794 -15.509 -16.424 1.00 2.11 C ATOM 666 CE2 PHE A 40 19.767 -15.507 -14.240 1.00 35.11 C ATOM 667 CZ PHE A 40 19.830 -15.850 -15.576 1.00 74.43 C ATOM 0 H PHE A 40 17.003 -12.480 -16.193 1.00 30.42 H new ATOM 0 HA PHE A 40 15.697 -11.749 -13.687 1.00 35.14 H new ATOM 0 HB2 PHE A 40 16.273 -14.012 -13.020 1.00 21.23 H new ATOM 0 HB3 PHE A 40 15.540 -14.050 -14.612 1.00 21.23 H new ATOM 0 HD1 PHE A 40 16.889 -14.564 -16.599 1.00 43.51 H new ATOM 0 HD2 PHE A 40 18.622 -14.560 -12.708 1.00 20.23 H new ATOM 0 HE1 PHE A 40 18.841 -15.775 -17.470 1.00 2.11 H new ATOM 0 HE2 PHE A 40 20.576 -15.771 -13.575 1.00 35.11 H new ATOM 0 HZ PHE A 40 20.688 -16.384 -15.957 1.00 74.43 H new ATOM 677 N SER A 41 18.924 -11.664 -14.164 1.00 12.14 N ATOM 678 CA SER A 41 20.194 -11.241 -13.585 1.00 53.11 C ATOM 679 C SER A 41 20.155 -9.762 -13.212 1.00 20.10 C ATOM 680 O SER A 41 20.988 -9.283 -12.444 1.00 51.41 O ATOM 681 CB SER A 41 21.338 -11.501 -14.567 1.00 55.03 C ATOM 682 OG SER A 41 21.745 -10.302 -15.204 1.00 63.51 O ATOM 0 H SER A 41 18.965 -11.878 -15.160 1.00 12.14 H new ATOM 0 HA SER A 41 20.364 -11.822 -12.679 1.00 53.11 H new ATOM 0 HB2 SER A 41 22.183 -11.940 -14.037 1.00 55.03 H new ATOM 0 HB3 SER A 41 21.020 -12.225 -15.317 1.00 55.03 H new ATOM 0 HG SER A 41 22.478 -10.494 -15.825 1.00 63.51 H new ATOM 688 N ASN A 42 19.181 -9.045 -13.762 1.00 52.23 N ATOM 689 CA ASN A 42 19.033 -7.620 -13.489 1.00 15.05 C ATOM 690 C ASN A 42 18.252 -7.392 -12.197 1.00 62.44 C ATOM 691 O ASN A 42 18.413 -6.366 -11.536 1.00 30.31 O ATOM 692 CB ASN A 42 18.325 -6.926 -14.654 1.00 72.43 C ATOM 693 CG ASN A 42 19.295 -6.218 -15.581 1.00 34.54 C ATOM 694 OD1 ASN A 42 19.321 -6.477 -16.784 1.00 44.51 O ATOM 695 ND2 ASN A 42 20.097 -5.320 -15.022 1.00 24.30 N ATOM 0 H ASN A 42 18.482 -9.427 -14.399 1.00 52.23 H new ATOM 0 HA ASN A 42 20.029 -7.193 -13.372 1.00 15.05 H new ATOM 0 HB2 ASN A 42 17.757 -7.663 -15.221 1.00 72.43 H new ATOM 0 HB3 ASN A 42 17.609 -6.204 -14.262 1.00 72.43 H new ATOM 0 HD21 ASN A 42 20.771 -4.811 -15.595 1.00 24.30 H new ATOM 0 HD22 ASN A 42 20.039 -5.139 -14.020 1.00 24.30 H new ATOM 702 N ILE A 43 17.408 -8.356 -11.845 1.00 60.11 N ATOM 703 CA ILE A 43 16.604 -8.262 -10.633 1.00 5.43 C ATOM 704 C ILE A 43 17.473 -7.942 -9.421 1.00 42.50 C ATOM 705 O ILE A 43 17.266 -6.949 -8.722 1.00 71.31 O ATOM 706 CB ILE A 43 15.832 -9.567 -10.366 1.00 60.01 C ATOM 707 CG1 ILE A 43 14.483 -9.543 -11.088 1.00 30.54 C ATOM 708 CG2 ILE A 43 15.636 -9.770 -8.871 1.00 72.42 C ATOM 709 CD1 ILE A 43 13.534 -8.489 -10.561 1.00 24.51 C ATOM 0 H ILE A 43 17.263 -9.211 -12.382 1.00 60.11 H new ATOM 0 HA ILE A 43 15.890 -7.453 -10.790 1.00 5.43 H new ATOM 0 HB ILE A 43 16.415 -10.403 -10.752 1.00 60.01 H new ATOM 0 HG12 ILE A 43 14.652 -9.369 -12.151 1.00 30.54 H new ATOM 0 HG13 ILE A 43 14.013 -10.522 -10.996 1.00 30.54 H new ATOM 0 HG21 ILE A 43 15.089 -10.697 -8.698 1.00 72.42 H new ATOM 0 HG22 ILE A 43 16.608 -9.826 -8.381 1.00 72.42 H new ATOM 0 HG23 ILE A 43 15.071 -8.933 -8.461 1.00 72.42 H new ATOM 0 HD11 ILE A 43 12.599 -8.530 -11.119 1.00 24.51 H new ATOM 0 HD12 ILE A 43 13.335 -8.674 -9.505 1.00 24.51 H new ATOM 0 HD13 ILE A 43 13.984 -7.503 -10.678 1.00 24.51 H new ATOM 721 N PRO A 44 18.472 -8.800 -9.165 1.00 54.04 N ATOM 722 CA PRO A 44 19.394 -8.629 -8.039 1.00 41.42 C ATOM 723 C PRO A 44 20.333 -7.443 -8.234 1.00 14.42 C ATOM 724 O PRO A 44 20.941 -6.956 -7.280 1.00 52.45 O ATOM 725 CB PRO A 44 20.185 -9.939 -8.026 1.00 34.45 C ATOM 726 CG PRO A 44 20.116 -10.438 -9.428 1.00 3.51 C ATOM 727 CD PRO A 44 18.777 -10.004 -9.957 1.00 1.34 C ATOM 0 HA PRO A 44 18.866 -8.424 -7.108 1.00 41.42 H new ATOM 0 HB2 PRO A 44 21.217 -9.775 -7.715 1.00 34.45 H new ATOM 0 HB3 PRO A 44 19.752 -10.656 -7.329 1.00 34.45 H new ATOM 0 HG2 PRO A 44 20.926 -10.025 -10.029 1.00 3.51 H new ATOM 0 HG3 PRO A 44 20.216 -11.523 -9.461 1.00 3.51 H new ATOM 0 HD2 PRO A 44 18.818 -9.784 -11.024 1.00 1.34 H new ATOM 0 HD3 PRO A 44 18.021 -10.777 -9.820 1.00 1.34 H new ATOM 735 N LYS A 45 20.446 -6.981 -9.475 1.00 32.14 N ATOM 736 CA LYS A 45 21.309 -5.851 -9.795 1.00 51.52 C ATOM 737 C LYS A 45 20.693 -4.542 -9.311 1.00 41.43 C ATOM 738 O LYS A 45 21.406 -3.588 -8.997 1.00 75.14 O ATOM 739 CB LYS A 45 21.556 -5.783 -11.304 1.00 24.01 C ATOM 740 CG LYS A 45 22.964 -5.344 -11.670 1.00 75.14 C ATOM 741 CD LYS A 45 22.948 -4.166 -12.630 1.00 21.01 C ATOM 742 CE LYS A 45 24.267 -4.038 -13.376 1.00 42.42 C ATOM 743 NZ LYS A 45 24.422 -2.696 -14.003 1.00 14.42 N ATOM 0 H LYS A 45 19.950 -7.372 -10.276 1.00 32.14 H new ATOM 0 HA LYS A 45 22.260 -5.996 -9.283 1.00 51.52 H new ATOM 0 HB2 LYS A 45 21.365 -6.764 -11.740 1.00 24.01 H new ATOM 0 HB3 LYS A 45 20.841 -5.092 -11.750 1.00 24.01 H new ATOM 0 HG2 LYS A 45 23.508 -5.070 -10.766 1.00 75.14 H new ATOM 0 HG3 LYS A 45 23.500 -6.178 -12.124 1.00 75.14 H new ATOM 0 HD2 LYS A 45 22.135 -4.289 -13.345 1.00 21.01 H new ATOM 0 HD3 LYS A 45 22.751 -3.247 -12.077 1.00 21.01 H new ATOM 0 HE2 LYS A 45 25.093 -4.214 -12.687 1.00 42.42 H new ATOM 0 HE3 LYS A 45 24.325 -4.807 -14.146 1.00 42.42 H new ATOM 0 HZ1 LYS A 45 25.333 -2.649 -14.502 1.00 14.42 H new ATOM 0 HZ2 LYS A 45 23.648 -2.538 -14.680 1.00 14.42 H new ATOM 0 HZ3 LYS A 45 24.392 -1.963 -13.266 1.00 14.42 H new ATOM 757 N SER A 46 19.366 -4.503 -9.252 1.00 73.53 N ATOM 758 CA SER A 46 18.654 -3.310 -8.809 1.00 22.54 C ATOM 759 C SER A 46 18.890 -3.059 -7.322 1.00 55.14 C ATOM 760 O SER A 46 19.344 -1.985 -6.928 1.00 34.43 O ATOM 761 CB SER A 46 17.156 -3.453 -9.082 1.00 72.24 C ATOM 762 OG SER A 46 16.907 -4.459 -10.049 1.00 25.31 O ATOM 0 H SER A 46 18.762 -5.284 -9.506 1.00 73.53 H new ATOM 0 HA SER A 46 19.038 -2.458 -9.370 1.00 22.54 H new ATOM 0 HB2 SER A 46 16.636 -3.698 -8.156 1.00 72.24 H new ATOM 0 HB3 SER A 46 16.754 -2.502 -9.431 1.00 72.24 H new ATOM 0 HG SER A 46 16.878 -5.335 -9.610 1.00 25.31 H new ATOM 768 N ALA A 47 18.577 -4.057 -6.503 1.00 32.41 N ATOM 769 CA ALA A 47 18.755 -3.946 -5.061 1.00 25.44 C ATOM 770 C ALA A 47 20.210 -3.656 -4.708 1.00 65.34 C ATOM 771 O ALA A 47 20.503 -3.098 -3.652 1.00 13.53 O ATOM 772 CB ALA A 47 18.287 -5.219 -4.371 1.00 63.53 C ATOM 0 H ALA A 47 18.199 -4.952 -6.814 1.00 32.41 H new ATOM 0 HA ALA A 47 18.149 -3.111 -4.709 1.00 25.44 H new ATOM 0 HB1 ALA A 47 18.426 -5.121 -3.294 1.00 63.53 H new ATOM 0 HB2 ALA A 47 17.231 -5.383 -4.587 1.00 63.53 H new ATOM 0 HB3 ALA A 47 18.868 -6.066 -4.737 1.00 63.53 H new ATOM 778 N GLU A 48 21.118 -4.040 -5.600 1.00 64.33 N ATOM 779 CA GLU A 48 22.543 -3.822 -5.381 1.00 44.02 C ATOM 780 C GLU A 48 22.915 -2.363 -5.631 1.00 61.25 C ATOM 781 O GLU A 48 23.877 -1.849 -5.060 1.00 70.21 O ATOM 782 CB GLU A 48 23.368 -4.733 -6.293 1.00 32.31 C ATOM 783 CG GLU A 48 24.831 -4.829 -5.895 1.00 62.14 C ATOM 784 CD GLU A 48 25.767 -4.384 -7.003 1.00 13.24 C ATOM 785 OE1 GLU A 48 25.458 -4.652 -8.183 1.00 23.22 O ATOM 786 OE2 GLU A 48 26.807 -3.768 -6.689 1.00 54.35 O ATOM 0 H GLU A 48 20.892 -4.503 -6.480 1.00 64.33 H new ATOM 0 HA GLU A 48 22.765 -4.063 -4.342 1.00 44.02 H new ATOM 0 HB2 GLU A 48 22.932 -5.732 -6.285 1.00 32.31 H new ATOM 0 HB3 GLU A 48 23.302 -4.364 -7.317 1.00 32.31 H new ATOM 0 HG2 GLU A 48 25.004 -4.216 -5.010 1.00 62.14 H new ATOM 0 HG3 GLU A 48 25.062 -5.858 -5.620 1.00 62.14 H new ATOM 793 N PHE A 49 22.146 -1.702 -6.490 1.00 1.20 N ATOM 794 CA PHE A 49 22.395 -0.303 -6.818 1.00 55.20 C ATOM 795 C PHE A 49 22.366 0.564 -5.562 1.00 71.33 C ATOM 796 O PHE A 49 22.952 1.646 -5.529 1.00 11.10 O ATOM 797 CB PHE A 49 21.355 0.200 -7.822 1.00 62.01 C ATOM 798 CG PHE A 49 21.952 0.952 -8.977 1.00 62.01 C ATOM 799 CD1 PHE A 49 22.345 2.273 -8.832 1.00 25.32 C ATOM 800 CD2 PHE A 49 22.121 0.338 -10.208 1.00 14.23 C ATOM 801 CE1 PHE A 49 22.894 2.967 -9.893 1.00 43.03 C ATOM 802 CE2 PHE A 49 22.669 1.027 -11.273 1.00 3.52 C ATOM 803 CZ PHE A 49 23.058 2.343 -11.115 1.00 14.41 C ATOM 0 H PHE A 49 21.346 -2.112 -6.971 1.00 1.20 H new ATOM 0 HA PHE A 49 23.387 -0.231 -7.265 1.00 55.20 H new ATOM 0 HB2 PHE A 49 20.791 -0.650 -8.205 1.00 62.01 H new ATOM 0 HB3 PHE A 49 20.646 0.847 -7.305 1.00 62.01 H new ATOM 0 HD1 PHE A 49 22.221 2.765 -7.879 1.00 25.32 H new ATOM 0 HD2 PHE A 49 21.821 -0.691 -10.336 1.00 14.23 H new ATOM 0 HE1 PHE A 49 23.195 3.997 -9.767 1.00 43.03 H new ATOM 0 HE2 PHE A 49 22.793 0.537 -12.228 1.00 3.52 H new ATOM 0 HZ PHE A 49 23.489 2.883 -11.945 1.00 14.41 H new ATOM 813 N ILE A 50 21.680 0.080 -4.532 1.00 71.44 N ATOM 814 CA ILE A 50 21.575 0.809 -3.275 1.00 30.13 C ATOM 815 C ILE A 50 22.852 0.674 -2.453 1.00 23.02 C ATOM 816 O ILE A 50 23.615 1.630 -2.313 1.00 31.44 O ATOM 817 CB ILE A 50 20.383 0.314 -2.435 1.00 32.22 C ATOM 818 CG1 ILE A 50 19.091 0.386 -3.251 1.00 54.40 C ATOM 819 CG2 ILE A 50 20.257 1.134 -1.159 1.00 72.44 C ATOM 820 CD1 ILE A 50 18.684 1.797 -3.614 1.00 52.42 C ATOM 0 H ILE A 50 21.189 -0.814 -4.544 1.00 71.44 H new ATOM 0 HA ILE A 50 21.419 1.857 -3.530 1.00 30.13 H new ATOM 0 HB ILE A 50 20.559 -0.726 -2.159 1.00 32.22 H new ATOM 0 HG12 ILE A 50 19.215 -0.194 -4.165 1.00 54.40 H new ATOM 0 HG13 ILE A 50 18.286 -0.081 -2.684 1.00 54.40 H new ATOM 0 HG21 ILE A 50 19.410 0.772 -0.576 1.00 72.44 H new ATOM 0 HG22 ILE A 50 21.170 1.036 -0.572 1.00 72.44 H new ATOM 0 HG23 ILE A 50 20.101 2.182 -1.414 1.00 72.44 H new ATOM 0 HD11 ILE A 50 17.760 1.772 -4.192 1.00 52.42 H new ATOM 0 HD12 ILE A 50 18.527 2.376 -2.704 1.00 52.42 H new ATOM 0 HD13 ILE A 50 19.471 2.261 -4.208 1.00 52.42 H new ATOM 832 N GLN A 51 23.079 -0.519 -1.914 1.00 22.45 N ATOM 833 CA GLN A 51 24.265 -0.779 -1.106 1.00 64.44 C ATOM 834 C GLN A 51 24.751 -2.212 -1.299 1.00 24.13 C ATOM 835 O GLN A 51 23.966 -3.158 -1.239 1.00 13.22 O ATOM 836 CB GLN A 51 23.968 -0.523 0.372 1.00 23.11 C ATOM 837 CG GLN A 51 25.187 -0.090 1.171 1.00 32.44 C ATOM 838 CD GLN A 51 24.933 1.158 1.992 1.00 11.44 C ATOM 839 OE1 GLN A 51 24.376 1.092 3.089 1.00 71.04 O ATOM 840 NE2 GLN A 51 25.341 2.307 1.466 1.00 62.25 N ATOM 0 H GLN A 51 22.458 -1.321 -2.022 1.00 22.45 H new ATOM 0 HA GLN A 51 25.053 -0.100 -1.433 1.00 64.44 H new ATOM 0 HB2 GLN A 51 23.200 0.246 0.452 1.00 23.11 H new ATOM 0 HB3 GLN A 51 23.558 -1.431 0.814 1.00 23.11 H new ATOM 0 HG2 GLN A 51 25.489 -0.901 1.834 1.00 32.44 H new ATOM 0 HG3 GLN A 51 26.018 0.091 0.489 1.00 32.44 H new ATOM 0 HE21 GLN A 51 25.798 2.317 0.554 1.00 62.25 H new ATOM 0 HE22 GLN A 51 25.197 3.180 1.974 1.00 62.25 H new ATOM 849 N SER A 52 26.051 -2.365 -1.530 1.00 43.24 N ATOM 850 CA SER A 52 26.642 -3.682 -1.736 1.00 34.32 C ATOM 851 C SER A 52 26.280 -4.624 -0.591 1.00 41.02 C ATOM 852 O SER A 52 26.157 -5.834 -0.782 1.00 34.00 O ATOM 853 CB SER A 52 28.162 -3.570 -1.858 1.00 4.33 C ATOM 854 OG SER A 52 28.714 -2.884 -0.747 1.00 13.11 O ATOM 0 H SER A 52 26.715 -1.593 -1.579 1.00 43.24 H new ATOM 0 HA SER A 52 26.241 -4.092 -2.663 1.00 34.32 H new ATOM 0 HB2 SER A 52 28.599 -4.566 -1.928 1.00 4.33 H new ATOM 0 HB3 SER A 52 28.418 -3.044 -2.778 1.00 4.33 H new ATOM 0 HG SER A 52 29.687 -2.827 -0.848 1.00 13.11 H new ATOM 860 N LYS A 53 26.112 -4.060 0.600 1.00 54.31 N ATOM 861 CA LYS A 53 25.763 -4.846 1.777 1.00 20.12 C ATOM 862 C LYS A 53 24.488 -4.318 2.426 1.00 11.35 C ATOM 863 O LYS A 53 24.474 -3.224 2.990 1.00 30.43 O ATOM 864 CB LYS A 53 26.911 -4.823 2.789 1.00 34.14 C ATOM 865 CG LYS A 53 28.083 -5.708 2.400 1.00 14.53 C ATOM 866 CD LYS A 53 29.174 -4.912 1.704 1.00 61.42 C ATOM 867 CE LYS A 53 30.556 -5.308 2.201 1.00 31.15 C ATOM 868 NZ LYS A 53 31.553 -4.222 1.991 1.00 21.34 N ATOM 0 H LYS A 53 26.212 -3.060 0.776 1.00 54.31 H new ATOM 0 HA LYS A 53 25.588 -5.874 1.458 1.00 20.12 H new ATOM 0 HB2 LYS A 53 27.263 -3.798 2.903 1.00 34.14 H new ATOM 0 HB3 LYS A 53 26.534 -5.141 3.761 1.00 34.14 H new ATOM 0 HG2 LYS A 53 28.491 -6.185 3.291 1.00 14.53 H new ATOM 0 HG3 LYS A 53 27.736 -6.505 1.742 1.00 14.53 H new ATOM 0 HD2 LYS A 53 29.113 -5.073 0.628 1.00 61.42 H new ATOM 0 HD3 LYS A 53 29.015 -3.847 1.876 1.00 61.42 H new ATOM 0 HE2 LYS A 53 30.504 -5.553 3.262 1.00 31.15 H new ATOM 0 HE3 LYS A 53 30.885 -6.208 1.682 1.00 31.15 H new ATOM 0 HZ1 LYS A 53 32.482 -4.531 2.343 1.00 21.34 H new ATOM 0 HZ2 LYS A 53 31.622 -4.005 0.976 1.00 21.34 H new ATOM 0 HZ3 LYS A 53 31.253 -3.371 2.507 1.00 21.34 H new ATOM 882 N GLY A 54 23.418 -5.103 2.344 1.00 12.31 N ATOM 883 CA GLY A 54 22.153 -4.697 2.929 1.00 3.12 C ATOM 884 C GLY A 54 20.964 -5.341 2.244 1.00 23.03 C ATOM 885 O GLY A 54 20.071 -5.872 2.905 1.00 70.44 O ATOM 0 H GLY A 54 23.404 -6.013 1.883 1.00 12.31 H new ATOM 0 HA2 GLY A 54 22.145 -4.959 3.987 1.00 3.12 H new ATOM 0 HA3 GLY A 54 22.060 -3.613 2.869 1.00 3.12 H new ATOM 889 N HIS A 55 20.951 -5.293 0.916 1.00 50.01 N ATOM 890 CA HIS A 55 19.861 -5.876 0.141 1.00 44.32 C ATOM 891 C HIS A 55 19.939 -7.399 0.155 1.00 63.45 C ATOM 892 O HIS A 55 20.912 -7.984 -0.320 1.00 64.10 O ATOM 893 CB HIS A 55 19.902 -5.364 -1.300 1.00 33.44 C ATOM 894 CG HIS A 55 21.095 -5.839 -2.070 1.00 42.53 C ATOM 895 ND1 HIS A 55 22.374 -5.378 -1.836 1.00 73.04 N ATOM 896 CD2 HIS A 55 21.199 -6.739 -3.075 1.00 63.32 C ATOM 897 CE1 HIS A 55 23.212 -5.974 -2.665 1.00 43.33 C ATOM 898 NE2 HIS A 55 22.525 -6.805 -3.427 1.00 71.14 N ATOM 0 H HIS A 55 21.682 -4.857 0.354 1.00 50.01 H new ATOM 0 HA HIS A 55 18.919 -5.574 0.599 1.00 44.32 H new ATOM 0 HB2 HIS A 55 18.996 -5.683 -1.816 1.00 33.44 H new ATOM 0 HB3 HIS A 55 19.897 -4.274 -1.290 1.00 33.44 H new ATOM 0 HD1 HIS A 55 22.632 -4.685 -1.133 1.00 73.04 H new ATOM 0 HD2 HIS A 55 20.390 -7.301 -3.518 1.00 63.32 H new ATOM 0 HE1 HIS A 55 24.278 -5.809 -2.712 1.00 43.33 H new ATOM 906 N GLU A 56 18.908 -8.035 0.702 1.00 21.03 N ATOM 907 CA GLU A 56 18.862 -9.490 0.779 1.00 70.53 C ATOM 908 C GLU A 56 17.521 -10.019 0.278 1.00 30.30 C ATOM 909 O GLU A 56 16.467 -9.683 0.819 1.00 52.42 O ATOM 910 CB GLU A 56 19.101 -9.956 2.217 1.00 43.34 C ATOM 911 CG GLU A 56 20.120 -11.077 2.332 1.00 73.42 C ATOM 912 CD GLU A 56 19.472 -12.440 2.483 1.00 60.11 C ATOM 913 OE1 GLU A 56 18.588 -12.583 3.353 1.00 14.22 O ATOM 914 OE2 GLU A 56 19.849 -13.364 1.732 1.00 41.53 O ATOM 0 H GLU A 56 18.094 -7.566 1.098 1.00 21.03 H new ATOM 0 HA GLU A 56 19.652 -9.887 0.141 1.00 70.53 H new ATOM 0 HB2 GLU A 56 19.437 -9.108 2.814 1.00 43.34 H new ATOM 0 HB3 GLU A 56 18.155 -10.291 2.643 1.00 43.34 H new ATOM 0 HG2 GLU A 56 20.756 -11.077 1.447 1.00 73.42 H new ATOM 0 HG3 GLU A 56 20.767 -10.889 3.189 1.00 73.42 H new ATOM 921 N LEU A 57 17.569 -10.849 -0.759 1.00 12.25 N ATOM 922 CA LEU A 57 16.358 -11.425 -1.334 1.00 3.21 C ATOM 923 C LEU A 57 15.898 -12.638 -0.532 1.00 22.00 C ATOM 924 O LEU A 57 16.446 -13.732 -0.672 1.00 22.34 O ATOM 925 CB LEU A 57 16.602 -11.825 -2.790 1.00 45.41 C ATOM 926 CG LEU A 57 16.859 -10.677 -3.767 1.00 52.33 C ATOM 927 CD1 LEU A 57 15.828 -9.575 -3.579 1.00 13.12 C ATOM 928 CD2 LEU A 57 18.267 -10.128 -3.588 1.00 71.21 C ATOM 0 H LEU A 57 18.433 -11.138 -1.218 1.00 12.25 H new ATOM 0 HA LEU A 57 15.573 -10.670 -1.297 1.00 3.21 H new ATOM 0 HB2 LEU A 57 17.456 -12.501 -2.822 1.00 45.41 H new ATOM 0 HB3 LEU A 57 15.737 -12.388 -3.141 1.00 45.41 H new ATOM 0 HG LEU A 57 16.768 -11.063 -4.782 1.00 52.33 H new ATOM 0 HD11 LEU A 57 16.027 -8.767 -4.283 1.00 13.12 H new ATOM 0 HD12 LEU A 57 14.830 -9.976 -3.759 1.00 13.12 H new ATOM 0 HD13 LEU A 57 15.887 -9.192 -2.560 1.00 13.12 H new ATOM 0 HD21 LEU A 57 18.432 -9.312 -4.292 1.00 71.21 H new ATOM 0 HD22 LEU A 57 18.387 -9.759 -2.570 1.00 71.21 H new ATOM 0 HD23 LEU A 57 18.993 -10.920 -3.774 1.00 71.21 H new ATOM 940 N LEU A 58 14.887 -12.438 0.306 1.00 5.45 N ATOM 941 CA LEU A 58 14.351 -13.516 1.130 1.00 41.22 C ATOM 942 C LEU A 58 14.014 -14.735 0.278 1.00 72.31 C ATOM 943 O LEU A 58 14.303 -15.869 0.658 1.00 71.13 O ATOM 944 CB LEU A 58 13.104 -13.041 1.877 1.00 31.14 C ATOM 945 CG LEU A 58 13.220 -12.971 3.400 1.00 3.24 C ATOM 946 CD1 LEU A 58 12.712 -11.632 3.913 1.00 32.55 C ATOM 947 CD2 LEU A 58 12.457 -14.117 4.047 1.00 34.12 C ATOM 0 H LEU A 58 14.422 -11.539 0.433 1.00 5.45 H new ATOM 0 HA LEU A 58 15.114 -13.801 1.854 1.00 41.22 H new ATOM 0 HB2 LEU A 58 12.838 -12.051 1.507 1.00 31.14 H new ATOM 0 HB3 LEU A 58 12.279 -13.707 1.626 1.00 31.14 H new ATOM 0 HG LEU A 58 14.272 -13.065 3.670 1.00 3.24 H new ATOM 0 HD11 LEU A 58 12.802 -11.600 4.999 1.00 32.55 H new ATOM 0 HD12 LEU A 58 13.303 -10.827 3.476 1.00 32.55 H new ATOM 0 HD13 LEU A 58 11.666 -11.508 3.632 1.00 32.55 H new ATOM 0 HD21 LEU A 58 12.551 -14.051 5.131 1.00 34.12 H new ATOM 0 HD22 LEU A 58 11.405 -14.056 3.770 1.00 34.12 H new ATOM 0 HD23 LEU A 58 12.868 -15.067 3.705 1.00 34.12 H new ATOM 959 N ASN A 59 13.402 -14.493 -0.877 1.00 63.10 N ATOM 960 CA ASN A 59 13.027 -15.572 -1.784 1.00 41.32 C ATOM 961 C ASN A 59 13.615 -15.343 -3.173 1.00 70.34 C ATOM 962 O ASN A 59 13.101 -14.541 -3.952 1.00 54.41 O ATOM 963 CB ASN A 59 11.504 -15.683 -1.875 1.00 31.42 C ATOM 964 CG ASN A 59 11.047 -17.087 -2.221 1.00 73.22 C ATOM 965 OD1 ASN A 59 11.231 -17.552 -3.346 1.00 73.02 O ATOM 966 ND2 ASN A 59 10.447 -17.770 -1.253 1.00 13.31 N ATOM 0 H ASN A 59 13.155 -13.560 -1.207 1.00 63.10 H new ATOM 0 HA ASN A 59 13.430 -16.504 -1.387 1.00 41.32 H new ATOM 0 HB2 ASN A 59 11.063 -15.384 -0.924 1.00 31.42 H new ATOM 0 HB3 ASN A 59 11.136 -14.988 -2.629 1.00 31.42 H new ATOM 0 HD21 ASN A 59 10.118 -18.720 -1.427 1.00 13.31 H new ATOM 0 HD22 ASN A 59 10.315 -17.345 -0.335 1.00 13.31 H new ATOM 973 N SER A 60 14.696 -16.055 -3.477 1.00 75.31 N ATOM 974 CA SER A 60 15.356 -15.928 -4.771 1.00 72.31 C ATOM 975 C SER A 60 14.336 -15.947 -5.906 1.00 32.34 C ATOM 976 O SER A 60 13.528 -16.871 -6.015 1.00 11.35 O ATOM 977 CB SER A 60 16.370 -17.058 -4.963 1.00 11.41 C ATOM 978 OG SER A 60 15.872 -18.045 -5.849 1.00 43.14 O ATOM 0 H SER A 60 15.133 -16.726 -2.845 1.00 75.31 H new ATOM 0 HA SER A 60 15.879 -14.972 -4.792 1.00 72.31 H new ATOM 0 HB2 SER A 60 17.303 -16.651 -5.354 1.00 11.41 H new ATOM 0 HB3 SER A 60 16.600 -17.512 -3.999 1.00 11.41 H new ATOM 0 HG SER A 60 16.539 -18.755 -5.956 1.00 43.14 H new ATOM 984 N LEU A 61 14.379 -14.922 -6.749 1.00 0.55 N ATOM 985 CA LEU A 61 13.459 -14.819 -7.876 1.00 42.51 C ATOM 986 C LEU A 61 13.422 -16.121 -8.669 1.00 41.13 C ATOM 987 O LEU A 61 14.463 -16.697 -8.984 1.00 64.23 O ATOM 988 CB LEU A 61 13.869 -13.663 -8.790 1.00 44.24 C ATOM 989 CG LEU A 61 15.303 -13.703 -9.321 1.00 11.11 C ATOM 990 CD1 LEU A 61 15.356 -13.200 -10.755 1.00 54.40 C ATOM 991 CD2 LEU A 61 16.224 -12.881 -8.431 1.00 62.21 C ATOM 0 H LEU A 61 15.041 -14.150 -6.674 1.00 0.55 H new ATOM 0 HA LEU A 61 12.461 -14.626 -7.482 1.00 42.51 H new ATOM 0 HB2 LEU A 61 13.188 -13.640 -9.641 1.00 44.24 H new ATOM 0 HB3 LEU A 61 13.730 -12.729 -8.246 1.00 44.24 H new ATOM 0 HG LEU A 61 15.646 -14.738 -9.308 1.00 11.11 H new ATOM 0 HD11 LEU A 61 16.384 -13.236 -11.115 1.00 54.40 H new ATOM 0 HD12 LEU A 61 14.728 -13.830 -11.385 1.00 54.40 H new ATOM 0 HD13 LEU A 61 14.994 -12.173 -10.794 1.00 54.40 H new ATOM 0 HD21 LEU A 61 17.240 -12.921 -8.824 1.00 62.21 H new ATOM 0 HD22 LEU A 61 15.883 -11.846 -8.412 1.00 62.21 H new ATOM 0 HD23 LEU A 61 16.210 -13.287 -7.419 1.00 62.21 H new ATOM 1003 N ARG A 62 12.216 -16.578 -8.991 1.00 2.24 N ATOM 1004 CA ARG A 62 12.044 -17.811 -9.748 1.00 75.51 C ATOM 1005 C ARG A 62 11.751 -17.512 -11.215 1.00 72.04 C ATOM 1006 O ARG A 62 10.619 -17.662 -11.677 1.00 1.44 O ATOM 1007 CB ARG A 62 10.910 -18.647 -9.151 1.00 72.20 C ATOM 1008 CG ARG A 62 11.170 -20.144 -9.192 1.00 32.10 C ATOM 1009 CD ARG A 62 10.630 -20.838 -7.951 1.00 52.50 C ATOM 1010 NE ARG A 62 9.661 -21.879 -8.284 1.00 1.34 N ATOM 1011 CZ ARG A 62 8.969 -22.556 -7.374 1.00 62.23 C ATOM 1012 NH1 ARG A 62 9.138 -22.303 -6.084 1.00 11.01 N ATOM 1013 NH2 ARG A 62 8.106 -23.489 -7.755 1.00 72.04 N ATOM 0 H ARG A 62 11.344 -16.112 -8.739 1.00 2.24 H new ATOM 0 HA ARG A 62 12.974 -18.377 -9.689 1.00 75.51 H new ATOM 0 HB2 ARG A 62 10.751 -18.343 -8.116 1.00 72.20 H new ATOM 0 HB3 ARG A 62 9.988 -18.432 -9.691 1.00 72.20 H new ATOM 0 HG2 ARG A 62 10.705 -20.571 -10.080 1.00 32.10 H new ATOM 0 HG3 ARG A 62 12.241 -20.326 -9.275 1.00 32.10 H new ATOM 0 HD2 ARG A 62 11.457 -21.277 -7.393 1.00 52.50 H new ATOM 0 HD3 ARG A 62 10.161 -20.101 -7.299 1.00 52.50 H new ATOM 0 HE ARG A 62 9.507 -22.098 -9.268 1.00 1.34 H new ATOM 0 HH11 ARG A 62 9.801 -21.587 -5.787 1.00 11.01 H new ATOM 0 HH12 ARG A 62 8.605 -22.825 -5.388 1.00 11.01 H new ATOM 0 HH21 ARG A 62 7.974 -23.687 -8.747 1.00 72.04 H new ATOM 0 HH22 ARG A 62 7.575 -24.009 -7.056 1.00 72.04 H new ATOM 1027 N PHE A 63 12.778 -17.088 -11.944 1.00 2.02 N ATOM 1028 CA PHE A 63 12.631 -16.766 -13.358 1.00 42.14 C ATOM 1029 C PHE A 63 12.586 -18.036 -14.203 1.00 40.44 C ATOM 1030 O PHE A 63 13.518 -18.838 -14.187 1.00 21.31 O ATOM 1031 CB PHE A 63 13.783 -15.872 -13.822 1.00 42.10 C ATOM 1032 CG PHE A 63 15.005 -16.638 -14.242 1.00 51.00 C ATOM 1033 CD1 PHE A 63 15.966 -17.000 -13.311 1.00 54.04 C ATOM 1034 CD2 PHE A 63 15.192 -16.997 -15.567 1.00 45.41 C ATOM 1035 CE1 PHE A 63 17.091 -17.704 -13.695 1.00 61.25 C ATOM 1036 CE2 PHE A 63 16.316 -17.701 -15.957 1.00 72.30 C ATOM 1037 CZ PHE A 63 17.266 -18.056 -15.020 1.00 32.44 C ATOM 0 H PHE A 63 13.721 -16.959 -11.578 1.00 2.02 H new ATOM 0 HA PHE A 63 11.690 -16.231 -13.487 1.00 42.14 H new ATOM 0 HB2 PHE A 63 13.443 -15.259 -14.657 1.00 42.10 H new ATOM 0 HB3 PHE A 63 14.051 -15.190 -13.015 1.00 42.10 H new ATOM 0 HD1 PHE A 63 15.834 -16.729 -12.274 1.00 54.04 H new ATOM 0 HD2 PHE A 63 14.451 -16.724 -16.304 1.00 45.41 H new ATOM 0 HE1 PHE A 63 17.833 -17.979 -12.960 1.00 61.25 H new ATOM 0 HE2 PHE A 63 16.451 -17.973 -16.993 1.00 72.30 H new ATOM 0 HZ PHE A 63 18.144 -18.608 -15.322 1.00 32.44 H new ATOM 1047 N ASN A 64 11.494 -18.210 -14.941 1.00 42.20 N ATOM 1048 CA ASN A 64 11.326 -19.382 -15.792 1.00 72.02 C ATOM 1049 C ASN A 64 9.971 -19.355 -16.494 1.00 3.32 C ATOM 1050 O ASN A 64 9.857 -19.738 -17.658 1.00 2.32 O ATOM 1051 CB ASN A 64 11.458 -20.662 -14.965 1.00 24.13 C ATOM 1052 CG ASN A 64 12.817 -21.317 -15.126 1.00 53.12 C ATOM 1053 OD1 ASN A 64 13.366 -21.368 -16.227 1.00 24.44 O ATOM 1054 ND2 ASN A 64 13.365 -21.821 -14.027 1.00 34.52 N ATOM 0 H ASN A 64 10.713 -17.555 -14.967 1.00 42.20 H new ATOM 0 HA ASN A 64 12.109 -19.365 -16.550 1.00 72.02 H new ATOM 0 HB2 ASN A 64 11.292 -20.430 -13.913 1.00 24.13 H new ATOM 0 HB3 ASN A 64 10.681 -21.366 -15.263 1.00 24.13 H new ATOM 0 HD21 ASN A 64 14.278 -22.274 -14.074 1.00 34.52 H new ATOM 0 HD22 ASN A 64 12.873 -21.756 -13.136 1.00 34.52 H new ATOM 1061 N GLN A 65 8.949 -18.899 -15.777 1.00 51.03 N ATOM 1062 CA GLN A 65 7.602 -18.822 -16.332 1.00 4.14 C ATOM 1063 C GLN A 65 7.099 -17.382 -16.340 1.00 33.43 C ATOM 1064 O GLN A 65 7.888 -16.439 -16.362 1.00 51.52 O ATOM 1065 CB GLN A 65 6.646 -19.705 -15.528 1.00 41.10 C ATOM 1066 CG GLN A 65 5.678 -20.497 -16.392 1.00 42.12 C ATOM 1067 CD GLN A 65 5.477 -21.914 -15.894 1.00 35.42 C ATOM 1068 OE1 GLN A 65 6.336 -22.777 -16.075 1.00 44.14 O ATOM 1069 NE2 GLN A 65 4.336 -22.163 -15.261 1.00 0.13 N ATOM 0 H GLN A 65 9.027 -18.578 -14.812 1.00 51.03 H new ATOM 0 HA GLN A 65 7.638 -19.181 -17.361 1.00 4.14 H new ATOM 0 HB2 GLN A 65 7.228 -20.398 -14.921 1.00 41.10 H new ATOM 0 HB3 GLN A 65 6.078 -19.079 -14.840 1.00 41.10 H new ATOM 0 HG2 GLN A 65 4.716 -19.985 -16.417 1.00 42.12 H new ATOM 0 HG3 GLN A 65 6.050 -20.525 -17.416 1.00 42.12 H new ATOM 0 HE21 GLN A 65 3.651 -21.418 -15.133 1.00 0.13 H new ATOM 0 HE22 GLN A 65 4.145 -23.099 -14.903 1.00 0.13 H new ATOM 1078 N ALA A 66 5.779 -17.222 -16.322 1.00 25.23 N ATOM 1079 CA ALA A 66 5.171 -15.898 -16.325 1.00 54.13 C ATOM 1080 C ALA A 66 5.840 -14.983 -15.305 1.00 61.13 C ATOM 1081 O ALA A 66 6.571 -15.445 -14.429 1.00 10.22 O ATOM 1082 CB ALA A 66 3.679 -16.002 -16.045 1.00 32.12 C ATOM 0 H ALA A 66 5.111 -17.993 -16.305 1.00 25.23 H new ATOM 0 HA ALA A 66 5.315 -15.462 -17.314 1.00 54.13 H new ATOM 0 HB1 ALA A 66 3.238 -15.005 -16.050 1.00 32.12 H new ATOM 0 HB2 ALA A 66 3.206 -16.612 -16.814 1.00 32.12 H new ATOM 0 HB3 ALA A 66 3.523 -16.463 -15.070 1.00 32.12 H new ATOM 1088 N ASP A 67 5.586 -13.685 -15.426 1.00 4.30 N ATOM 1089 CA ASP A 67 6.165 -12.705 -14.514 1.00 15.22 C ATOM 1090 C ASP A 67 6.132 -13.215 -13.077 1.00 25.05 C ATOM 1091 O ASP A 67 5.090 -13.647 -12.584 1.00 41.40 O ATOM 1092 CB ASP A 67 5.412 -11.377 -14.614 1.00 33.13 C ATOM 1093 CG ASP A 67 4.055 -11.429 -13.939 1.00 1.31 C ATOM 1094 OD1 ASP A 67 3.997 -11.223 -12.709 1.00 34.23 O ATOM 1095 OD2 ASP A 67 3.052 -11.675 -14.641 1.00 32.31 O ATOM 0 H ASP A 67 4.983 -13.287 -16.146 1.00 4.30 H new ATOM 0 HA ASP A 67 7.205 -12.547 -14.801 1.00 15.22 H new ATOM 0 HB2 ASP A 67 6.011 -10.588 -14.159 1.00 33.13 H new ATOM 0 HB3 ASP A 67 5.283 -11.114 -15.664 1.00 33.13 H new ATOM 1100 N TRP A 68 7.280 -13.163 -12.410 1.00 62.44 N ATOM 1101 CA TRP A 68 7.384 -13.622 -11.030 1.00 15.34 C ATOM 1102 C TRP A 68 7.508 -12.442 -10.072 1.00 41.42 C ATOM 1103 O TRP A 68 7.436 -11.283 -10.485 1.00 23.51 O ATOM 1104 CB TRP A 68 8.585 -14.554 -10.869 1.00 4.04 C ATOM 1105 CG TRP A 68 8.284 -15.776 -10.055 1.00 63.21 C ATOM 1106 CD1 TRP A 68 8.794 -16.090 -8.827 1.00 51.44 C ATOM 1107 CD2 TRP A 68 7.406 -16.849 -10.413 1.00 12.33 C ATOM 1108 NE1 TRP A 68 8.285 -17.292 -8.400 1.00 61.43 N ATOM 1109 CE2 TRP A 68 7.430 -17.778 -9.354 1.00 45.13 C ATOM 1110 CE3 TRP A 68 6.599 -17.113 -11.523 1.00 22.54 C ATOM 1111 CZ2 TRP A 68 6.681 -18.951 -9.376 1.00 54.14 C ATOM 1112 CZ3 TRP A 68 5.856 -18.278 -11.543 1.00 72.22 C ATOM 1113 CH2 TRP A 68 5.900 -19.185 -10.476 1.00 11.24 C ATOM 0 H TRP A 68 8.152 -12.807 -12.803 1.00 62.44 H new ATOM 0 HA TRP A 68 6.474 -14.170 -10.786 1.00 15.34 H new ATOM 0 HB2 TRP A 68 8.933 -14.860 -11.856 1.00 4.04 H new ATOM 0 HB3 TRP A 68 9.401 -14.005 -10.399 1.00 4.04 H new ATOM 0 HD1 TRP A 68 9.494 -15.482 -8.273 1.00 51.44 H new ATOM 0 HE1 TRP A 68 8.507 -17.749 -7.516 1.00 61.43 H new ATOM 0 HE3 TRP A 68 6.557 -16.419 -12.350 1.00 22.54 H new ATOM 0 HZ2 TRP A 68 6.715 -19.652 -8.555 1.00 54.14 H new ATOM 0 HZ3 TRP A 68 5.230 -18.493 -12.396 1.00 72.22 H new ATOM 0 HH2 TRP A 68 5.306 -20.086 -10.522 1.00 11.24 H new ATOM 1124 N THR A 69 7.695 -12.742 -8.791 1.00 4.33 N ATOM 1125 CA THR A 69 7.829 -11.705 -7.775 1.00 30.43 C ATOM 1126 C THR A 69 9.062 -11.939 -6.909 1.00 60.45 C ATOM 1127 O THR A 69 9.361 -13.073 -6.533 1.00 1.15 O ATOM 1128 CB THR A 69 6.585 -11.643 -6.869 1.00 14.11 C ATOM 1129 OG1 THR A 69 6.146 -12.967 -6.547 1.00 22.52 O ATOM 1130 CG2 THR A 69 5.457 -10.882 -7.550 1.00 3.31 C ATOM 0 H THR A 69 7.757 -13.695 -8.432 1.00 4.33 H new ATOM 0 HA THR A 69 7.934 -10.757 -8.303 1.00 30.43 H new ATOM 0 HB THR A 69 6.856 -11.118 -5.953 1.00 14.11 H new ATOM 0 HG1 THR A 69 5.356 -12.918 -5.969 1.00 22.52 H new ATOM 0 HG21 THR A 69 4.589 -10.851 -6.891 1.00 3.31 H new ATOM 0 HG22 THR A 69 5.784 -9.865 -7.768 1.00 3.31 H new ATOM 0 HG23 THR A 69 5.189 -11.384 -8.480 1.00 3.31 H new ATOM 1138 N ILE A 70 9.773 -10.861 -6.598 1.00 24.43 N ATOM 1139 CA ILE A 70 10.973 -10.950 -5.775 1.00 23.31 C ATOM 1140 C ILE A 70 10.875 -10.036 -4.558 1.00 75.42 C ATOM 1141 O ILE A 70 10.698 -8.825 -4.691 1.00 33.34 O ATOM 1142 CB ILE A 70 12.235 -10.583 -6.578 1.00 1.21 C ATOM 1143 CG1 ILE A 70 13.465 -10.586 -5.667 1.00 54.31 C ATOM 1144 CG2 ILE A 70 12.064 -9.224 -7.241 1.00 72.42 C ATOM 1145 CD1 ILE A 70 13.697 -11.908 -4.970 1.00 62.03 C ATOM 0 H ILE A 70 9.539 -9.916 -6.903 1.00 24.43 H new ATOM 0 HA ILE A 70 11.051 -11.985 -5.443 1.00 23.31 H new ATOM 0 HB ILE A 70 12.382 -11.331 -7.358 1.00 1.21 H new ATOM 0 HG12 ILE A 70 14.346 -10.337 -6.259 1.00 54.31 H new ATOM 0 HG13 ILE A 70 13.353 -9.803 -4.917 1.00 54.31 H new ATOM 0 HG21 ILE A 70 12.964 -8.978 -7.805 1.00 72.42 H new ATOM 0 HG22 ILE A 70 11.209 -9.254 -7.917 1.00 72.42 H new ATOM 0 HG23 ILE A 70 11.896 -8.465 -6.477 1.00 72.42 H new ATOM 0 HD11 ILE A 70 14.585 -11.837 -4.342 1.00 62.03 H new ATOM 0 HD12 ILE A 70 12.833 -12.150 -4.351 1.00 62.03 H new ATOM 0 HD13 ILE A 70 13.841 -12.691 -5.714 1.00 62.03 H new ATOM 1157 N VAL A 71 10.992 -10.625 -3.372 1.00 12.41 N ATOM 1158 CA VAL A 71 10.919 -9.863 -2.131 1.00 32.45 C ATOM 1159 C VAL A 71 12.302 -9.397 -1.690 1.00 14.30 C ATOM 1160 O VAL A 71 13.232 -10.195 -1.580 1.00 44.11 O ATOM 1161 CB VAL A 71 10.285 -10.694 -0.999 1.00 72.21 C ATOM 1162 CG1 VAL A 71 8.808 -10.932 -1.274 1.00 13.30 C ATOM 1163 CG2 VAL A 71 11.023 -12.014 -0.830 1.00 11.43 C ATOM 0 H VAL A 71 11.138 -11.626 -3.245 1.00 12.41 H new ATOM 0 HA VAL A 71 10.292 -8.994 -2.330 1.00 32.45 H new ATOM 0 HB VAL A 71 10.371 -10.133 -0.068 1.00 72.21 H new ATOM 0 HG11 VAL A 71 8.377 -11.521 -0.464 1.00 13.30 H new ATOM 0 HG12 VAL A 71 8.292 -9.974 -1.341 1.00 13.30 H new ATOM 0 HG13 VAL A 71 8.695 -11.472 -2.214 1.00 13.30 H new ATOM 0 HG21 VAL A 71 10.562 -12.588 -0.026 1.00 11.43 H new ATOM 0 HG22 VAL A 71 10.970 -12.582 -1.759 1.00 11.43 H new ATOM 0 HG23 VAL A 71 12.067 -11.818 -0.584 1.00 11.43 H new ATOM 1173 N VAL A 72 12.429 -8.098 -1.438 1.00 44.31 N ATOM 1174 CA VAL A 72 13.699 -7.524 -1.007 1.00 54.35 C ATOM 1175 C VAL A 72 13.568 -6.867 0.362 1.00 2.11 C ATOM 1176 O VAL A 72 12.702 -6.018 0.575 1.00 45.23 O ATOM 1177 CB VAL A 72 14.215 -6.482 -2.017 1.00 53.44 C ATOM 1178 CG1 VAL A 72 15.693 -6.206 -1.792 1.00 4.33 C ATOM 1179 CG2 VAL A 72 13.963 -6.951 -3.442 1.00 51.13 C ATOM 0 H VAL A 72 11.669 -7.423 -1.525 1.00 44.31 H new ATOM 0 HA VAL A 72 14.413 -8.345 -0.946 1.00 54.35 H new ATOM 0 HB VAL A 72 13.669 -5.551 -1.863 1.00 53.44 H new ATOM 0 HG11 VAL A 72 16.039 -5.467 -2.515 1.00 4.33 H new ATOM 0 HG12 VAL A 72 15.842 -5.823 -0.782 1.00 4.33 H new ATOM 0 HG13 VAL A 72 16.259 -7.129 -1.917 1.00 4.33 H new ATOM 0 HG21 VAL A 72 14.334 -6.203 -4.142 1.00 51.13 H new ATOM 0 HG22 VAL A 72 14.481 -7.895 -3.611 1.00 51.13 H new ATOM 0 HG23 VAL A 72 12.893 -7.092 -3.595 1.00 51.13 H new ATOM 1189 N ARG A 73 14.434 -7.265 1.288 1.00 21.42 N ATOM 1190 CA ARG A 73 14.415 -6.716 2.638 1.00 5.15 C ATOM 1191 C ARG A 73 15.532 -5.692 2.824 1.00 34.13 C ATOM 1192 O ARG A 73 16.713 -6.039 2.833 1.00 73.53 O ATOM 1193 CB ARG A 73 14.560 -7.836 3.670 1.00 33.30 C ATOM 1194 CG ARG A 73 15.780 -8.715 3.448 1.00 72.20 C ATOM 1195 CD ARG A 73 16.637 -8.805 4.701 1.00 71.32 C ATOM 1196 NE ARG A 73 15.886 -9.321 5.842 1.00 73.30 N ATOM 1197 CZ ARG A 73 15.646 -10.613 6.041 1.00 53.44 C ATOM 1198 NH1 ARG A 73 16.096 -11.514 5.179 1.00 71.21 N ATOM 1199 NH2 ARG A 73 14.954 -11.004 7.103 1.00 23.42 N ATOM 0 H ARG A 73 15.158 -7.966 1.128 1.00 21.42 H new ATOM 0 HA ARG A 73 13.458 -6.216 2.786 1.00 5.15 H new ATOM 0 HB2 ARG A 73 14.616 -7.396 4.666 1.00 33.30 H new ATOM 0 HB3 ARG A 73 13.665 -8.458 3.646 1.00 33.30 H new ATOM 0 HG2 ARG A 73 15.461 -9.714 3.152 1.00 72.20 H new ATOM 0 HG3 ARG A 73 16.375 -8.314 2.627 1.00 72.20 H new ATOM 0 HD2 ARG A 73 17.493 -9.451 4.509 1.00 71.32 H new ATOM 0 HD3 ARG A 73 17.031 -7.818 4.943 1.00 71.32 H new ATOM 0 HE ARG A 73 15.526 -8.653 6.524 1.00 73.30 H new ATOM 0 HH11 ARG A 73 16.628 -11.216 4.361 1.00 71.21 H new ATOM 0 HH12 ARG A 73 15.911 -12.505 5.334 1.00 71.21 H new ATOM 0 HH21 ARG A 73 14.606 -10.313 7.767 1.00 23.42 H new ATOM 0 HH22 ARG A 73 14.770 -11.996 7.255 1.00 23.42 H new ATOM 1213 N LYS A 74 15.149 -4.428 2.972 1.00 23.25 N ATOM 1214 CA LYS A 74 16.116 -3.353 3.159 1.00 41.21 C ATOM 1215 C LYS A 74 16.913 -3.554 4.444 1.00 33.01 C ATOM 1216 O LYS A 74 16.462 -4.234 5.366 1.00 10.13 O ATOM 1217 CB LYS A 74 15.403 -1.999 3.195 1.00 64.02 C ATOM 1218 CG LYS A 74 15.318 -1.321 1.838 1.00 14.35 C ATOM 1219 CD LYS A 74 16.438 -0.312 1.648 1.00 55.33 C ATOM 1220 CE LYS A 74 16.263 0.894 2.559 1.00 73.14 C ATOM 1221 NZ LYS A 74 17.489 1.168 3.357 1.00 2.22 N ATOM 0 H LYS A 74 14.176 -4.123 2.966 1.00 23.25 H new ATOM 0 HA LYS A 74 16.808 -3.371 2.317 1.00 41.21 H new ATOM 0 HB2 LYS A 74 14.395 -2.139 3.586 1.00 64.02 H new ATOM 0 HB3 LYS A 74 15.926 -1.341 3.889 1.00 64.02 H new ATOM 0 HG2 LYS A 74 15.367 -2.073 1.051 1.00 14.35 H new ATOM 0 HG3 LYS A 74 14.355 -0.820 1.740 1.00 14.35 H new ATOM 0 HD2 LYS A 74 17.397 -0.788 1.853 1.00 55.33 H new ATOM 0 HD3 LYS A 74 16.461 0.016 0.609 1.00 55.33 H new ATOM 0 HE2 LYS A 74 16.017 1.770 1.959 1.00 73.14 H new ATOM 0 HE3 LYS A 74 15.423 0.722 3.232 1.00 73.14 H new ATOM 0 HZ1 LYS A 74 17.330 1.997 3.965 1.00 2.22 H new ATOM 0 HZ2 LYS A 74 17.710 0.342 3.949 1.00 2.22 H new ATOM 0 HZ3 LYS A 74 18.286 1.357 2.716 1.00 2.22 H new ATOM 1235 N LYS A 75 18.099 -2.958 4.499 1.00 13.52 N ATOM 1236 CA LYS A 75 18.958 -3.068 5.672 1.00 34.32 C ATOM 1237 C LYS A 75 20.235 -2.254 5.490 1.00 33.33 C ATOM 1238 O LYS A 75 20.439 -1.626 4.452 1.00 14.21 O ATOM 1239 CB LYS A 75 19.308 -4.534 5.937 1.00 60.45 C ATOM 1240 CG LYS A 75 18.975 -4.995 7.345 1.00 72.00 C ATOM 1241 CD LYS A 75 20.220 -5.085 8.212 1.00 52.35 C ATOM 1242 CE LYS A 75 20.491 -6.515 8.651 1.00 63.54 C ATOM 1243 NZ LYS A 75 21.129 -7.316 7.569 1.00 75.23 N ATOM 0 H LYS A 75 18.488 -2.393 3.744 1.00 13.52 H new ATOM 0 HA LYS A 75 18.414 -2.670 6.529 1.00 34.32 H new ATOM 0 HB2 LYS A 75 18.774 -5.161 5.223 1.00 60.45 H new ATOM 0 HB3 LYS A 75 20.373 -4.683 5.758 1.00 60.45 H new ATOM 0 HG2 LYS A 75 18.265 -4.302 7.797 1.00 72.00 H new ATOM 0 HG3 LYS A 75 18.488 -5.969 7.304 1.00 72.00 H new ATOM 0 HD2 LYS A 75 21.078 -4.704 7.658 1.00 52.35 H new ATOM 0 HD3 LYS A 75 20.100 -4.450 9.090 1.00 52.35 H new ATOM 0 HE2 LYS A 75 21.138 -6.509 9.528 1.00 63.54 H new ATOM 0 HE3 LYS A 75 19.555 -6.987 8.949 1.00 63.54 H new ATOM 0 HZ1 LYS A 75 21.298 -8.285 7.908 1.00 75.23 H new ATOM 0 HZ2 LYS A 75 20.501 -7.343 6.741 1.00 75.23 H new ATOM 0 HZ3 LYS A 75 22.035 -6.880 7.302 1.00 75.23 H new ATOM 1257 N ALA A 76 21.092 -2.272 6.506 1.00 52.42 N ATOM 1258 CA ALA A 76 22.350 -1.538 6.456 1.00 43.02 C ATOM 1259 C ALA A 76 23.480 -2.342 7.090 1.00 61.21 C ATOM 1260 O ALA A 76 24.657 -2.028 6.907 1.00 30.11 O ATOM 1261 CB ALA A 76 22.204 -0.192 7.150 1.00 44.35 C ATOM 0 H ALA A 76 20.938 -2.787 7.373 1.00 52.42 H new ATOM 0 HA ALA A 76 22.602 -1.369 5.409 1.00 43.02 H new ATOM 0 HB1 ALA A 76 23.151 0.345 7.105 1.00 44.35 H new ATOM 0 HB2 ALA A 76 21.431 0.393 6.651 1.00 44.35 H new ATOM 0 HB3 ALA A 76 21.925 -0.348 8.192 1.00 44.35 H new TER 1267 ALA A 76