USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 814 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 67 TYR OH : rot 180:sc= -0.235 USER MOD Set 1.2: A 80 MET CE :methyl -143:sc= -0.558 (180deg=-1.73!) USER MOD Set 2.1: A 17 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 28 THR OG1 : rot 179:sc= -0.174 USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.0935 USER MOD Set 3.2: A 31 ASN : amide:sc= -0.473 K(o=-0.38,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 149:sc= -0.252 (180deg=-1.22!) USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= -0.11 (180deg=-0.673) USER MOD Single : A 8 LYS NZ :NH3+ 139:sc= -0.902 (180deg=-2.67!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -3.59! C(o=-3.6!,f=-6.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.848 K(o=-0.85,f=-0.17) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -105:sc= 0.205 USER MOD Single : A 42 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.57) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 48 TYR OH : rot 180:sc= -3.65! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 52 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.9) USER MOD Single : A 53 LYS NZ :NH3+ 150:sc= -0.344 (180deg=-1.47!) USER MOD Single : A 54 ASN : amide:sc= -4.41! K(o=-4.4!,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc=-0.00577 (180deg=-0.0718) USER MOD Single : A 63 THR OG1 : rot -73:sc= -0.943 USER MOD Single : A 65 MET CE :methyl -168:sc= -0.413 (180deg=-0.833) USER MOD Single : A 70 ASN : amide:sc= -2.11! C(o=-2.1!,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.905 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.592 (180deg=-1.03) USER MOD Single : A 86 LYS NZ :NH3+ -158:sc= -0.265 (180deg=-1.07) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= -0.0259 (180deg=-0.297) USER MOD Single : A 97 TYR OH : rot -172:sc= -0.397 USER MOD Single : A 99 LYS NZ :NH3+ -145:sc= -1.39! (180deg=-2.56!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -83:sc= -0.0579 USER MOD Single : A 103 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.597 -0.355 0.159 1.00 24.45 N ATOM 2 CA GLY A 1 2.359 -0.267 -1.076 1.00 4.32 C ATOM 3 C GLY A 1 2.192 -1.536 -1.914 1.00 34.12 C ATOM 4 O GLY A 1 2.745 -2.583 -1.579 1.00 52.20 O ATOM 0 H1 GLY A 1 1.727 0.518 0.710 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.588 -0.478 -0.063 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.930 -1.168 0.715 1.00 24.45 H new ATOM 0 HA2 GLY A 1 2.029 0.599 -1.650 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.414 -0.114 -0.847 1.00 4.32 H new ATOM 8 N ASP A 2 1.428 -1.401 -2.988 1.00 42.55 N ATOM 9 CA ASP A 2 1.182 -2.523 -3.877 1.00 3.31 C ATOM 10 C ASP A 2 2.489 -3.287 -4.103 1.00 4.41 C ATOM 11 O ASP A 2 3.572 -2.716 -3.990 1.00 51.34 O ATOM 12 CB ASP A 2 0.672 -2.046 -5.239 1.00 52.41 C ATOM 13 CG ASP A 2 -0.598 -1.195 -5.191 1.00 63.04 C ATOM 14 OD1 ASP A 2 -0.846 -0.367 -6.081 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.361 -1.410 -4.174 1.00 63.42 O1- ATOM 0 H ASP A 2 0.971 -0.531 -3.262 1.00 42.55 H new ATOM 0 HA ASP A 2 0.430 -3.161 -3.413 1.00 3.31 H new ATOM 0 HB2 ASP A 2 1.460 -1.469 -5.724 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.484 -2.918 -5.866 1.00 52.41 H new ATOM 21 N VAL A 3 2.342 -4.566 -4.418 1.00 75.13 N ATOM 22 CA VAL A 3 3.498 -5.412 -4.661 1.00 75.34 C ATOM 23 C VAL A 3 3.480 -5.888 -6.115 1.00 13.43 C ATOM 24 O VAL A 3 4.464 -5.727 -6.836 1.00 74.44 O ATOM 25 CB VAL A 3 3.521 -6.566 -3.655 1.00 52.14 C ATOM 26 CG1 VAL A 3 2.101 -6.979 -3.262 1.00 34.45 C ATOM 27 CG2 VAL A 3 4.306 -7.758 -4.207 1.00 44.44 C ATOM 0 H VAL A 3 1.441 -5.036 -4.510 1.00 75.13 H new ATOM 0 HA VAL A 3 4.420 -4.850 -4.514 1.00 75.34 H new ATOM 0 HB VAL A 3 4.029 -6.217 -2.756 1.00 52.14 H new ATOM 0 HG11 VAL A 3 2.146 -7.800 -2.547 1.00 34.45 H new ATOM 0 HG12 VAL A 3 1.588 -6.131 -2.809 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.557 -7.300 -4.150 1.00 34.45 H new ATOM 0 HG21 VAL A 3 4.307 -8.564 -3.473 1.00 44.44 H new ATOM 0 HG22 VAL A 3 3.839 -8.106 -5.128 1.00 44.44 H new ATOM 0 HG23 VAL A 3 5.332 -7.454 -4.413 1.00 44.44 H new ATOM 37 N GLU A 4 2.351 -6.462 -6.503 1.00 51.25 N ATOM 38 CA GLU A 4 2.192 -6.962 -7.858 1.00 54.55 C ATOM 39 C GLU A 4 2.872 -6.019 -8.854 1.00 41.14 C ATOM 40 O GLU A 4 3.741 -6.437 -9.616 1.00 54.03 O ATOM 41 CB GLU A 4 0.713 -7.151 -8.203 1.00 30.12 C ATOM 42 CG GLU A 4 -0.162 -6.170 -7.421 1.00 30.34 C ATOM 43 CD GLU A 4 -1.309 -5.649 -8.288 1.00 64.34 C ATOM 44 OE1 GLU A 4 -1.068 -5.124 -9.385 1.00 52.43 O ATOM 45 OE2 GLU A 4 -2.488 -5.805 -7.786 1.00 73.12 O1- ATOM 0 H GLU A 4 1.537 -6.592 -5.902 1.00 51.25 H new ATOM 0 HA GLU A 4 2.673 -7.938 -7.924 1.00 54.55 H new ATOM 0 HB2 GLU A 4 0.564 -7.004 -9.273 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.411 -8.174 -7.977 1.00 30.12 H new ATOM 0 HG2 GLU A 4 -0.565 -6.662 -6.536 1.00 30.34 H new ATOM 0 HG3 GLU A 4 0.444 -5.334 -7.073 1.00 30.34 H new ATOM 53 N LYS A 5 2.449 -4.764 -8.815 1.00 75.51 N ATOM 54 CA LYS A 5 3.005 -3.759 -9.705 1.00 13.03 C ATOM 55 C LYS A 5 4.531 -3.863 -9.693 1.00 44.51 C ATOM 56 O LYS A 5 5.165 -3.856 -10.747 1.00 62.31 O ATOM 57 CB LYS A 5 2.480 -2.370 -9.337 1.00 32.11 C ATOM 58 CG LYS A 5 0.973 -2.270 -9.582 1.00 40.51 C ATOM 59 CD LYS A 5 0.646 -2.431 -11.067 1.00 51.43 C ATOM 60 CE LYS A 5 -0.674 -1.741 -11.416 1.00 34.33 C ATOM 61 NZ LYS A 5 -0.607 -0.299 -11.088 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.728 -4.420 -8.181 1.00 75.51 H new ATOM 0 HA LYS A 5 2.681 -3.936 -10.731 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.696 -2.162 -8.289 1.00 32.11 H new ATOM 0 HB3 LYS A 5 2.999 -1.614 -9.926 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.456 -3.038 -9.007 1.00 40.51 H new ATOM 0 HG3 LYS A 5 0.607 -1.306 -9.228 1.00 40.51 H new ATOM 0 HD2 LYS A 5 1.451 -2.009 -11.668 1.00 51.43 H new ATOM 0 HD3 LYS A 5 0.584 -3.490 -11.317 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -0.889 -1.869 -12.477 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -1.492 -2.208 -10.866 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -1.206 0.236 -11.749 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -0.944 -0.148 -10.116 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 0.376 0.030 -11.168 1.00 61.11 H new ATOM 74 N GLY A 6 5.077 -3.958 -8.490 1.00 33.14 N ATOM 75 CA GLY A 6 6.517 -4.063 -8.329 1.00 41.25 C ATOM 76 C GLY A 6 7.017 -5.447 -8.748 1.00 61.35 C ATOM 77 O GLY A 6 8.183 -5.608 -9.103 1.00 72.04 O ATOM 0 H GLY A 6 4.548 -3.964 -7.618 1.00 33.14 H new ATOM 0 HA2 GLY A 6 7.010 -3.298 -8.928 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.785 -3.875 -7.289 1.00 41.25 H new ATOM 81 N LYS A 7 6.109 -6.410 -8.693 1.00 54.25 N ATOM 82 CA LYS A 7 6.441 -7.776 -9.064 1.00 13.43 C ATOM 83 C LYS A 7 6.632 -7.856 -10.579 1.00 11.22 C ATOM 84 O LYS A 7 7.321 -8.746 -11.076 1.00 40.24 O ATOM 85 CB LYS A 7 5.393 -8.749 -8.523 1.00 12.01 C ATOM 86 CG LYS A 7 5.875 -10.196 -8.639 1.00 61.14 C ATOM 87 CD LYS A 7 5.323 -11.052 -7.498 1.00 21.42 C ATOM 88 CE LYS A 7 5.222 -12.521 -7.913 1.00 53.44 C ATOM 89 NZ LYS A 7 4.212 -12.690 -8.982 1.00 74.43 N1+ ATOM 0 H LYS A 7 5.143 -6.272 -8.397 1.00 54.25 H new ATOM 0 HA LYS A 7 7.384 -8.076 -8.608 1.00 13.43 H new ATOM 0 HB2 LYS A 7 5.180 -8.516 -7.480 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.460 -8.628 -9.074 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.560 -10.612 -9.596 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.965 -10.222 -8.624 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.969 -10.961 -6.625 1.00 21.42 H new ATOM 0 HD3 LYS A 7 4.339 -10.685 -7.206 1.00 21.42 H new ATOM 0 HE2 LYS A 7 6.192 -12.874 -8.262 1.00 53.44 H new ATOM 0 HE3 LYS A 7 4.953 -13.131 -7.051 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 3.822 -13.653 -8.942 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 3.446 -12.000 -8.848 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 4.658 -12.536 -9.909 1.00 74.43 H new ATOM 102 N LYS A 8 6.009 -6.914 -11.273 1.00 45.33 N ATOM 103 CA LYS A 8 6.101 -6.867 -12.722 1.00 12.01 C ATOM 104 C LYS A 8 7.320 -6.033 -13.125 1.00 54.24 C ATOM 105 O LYS A 8 8.029 -6.380 -14.068 1.00 40.24 O ATOM 106 CB LYS A 8 4.787 -6.369 -13.327 1.00 14.42 C ATOM 107 CG LYS A 8 3.653 -7.361 -13.067 1.00 34.03 C ATOM 108 CD LYS A 8 3.629 -8.458 -14.133 1.00 33.34 C ATOM 109 CE LYS A 8 2.932 -7.970 -15.406 1.00 60.43 C ATOM 110 NZ LYS A 8 3.900 -7.300 -16.302 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.438 -6.177 -10.858 1.00 45.33 H new ATOM 0 HA LYS A 8 6.251 -7.868 -13.127 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.531 -5.399 -12.901 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.909 -6.224 -14.400 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.776 -7.810 -12.081 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.699 -6.834 -13.060 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.648 -8.765 -14.367 1.00 33.34 H new ATOM 0 HD3 LYS A 8 3.113 -9.336 -13.745 1.00 33.34 H new ATOM 0 HE2 LYS A 8 2.473 -8.813 -15.922 1.00 60.43 H new ATOM 0 HE3 LYS A 8 2.129 -7.280 -15.146 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 3.713 -7.579 -17.286 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 3.802 -6.269 -16.210 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 4.867 -7.581 -16.041 1.00 31.43 H new ATOM 123 N ILE A 9 7.524 -4.950 -12.389 1.00 72.22 N ATOM 124 CA ILE A 9 8.644 -4.064 -12.658 1.00 63.35 C ATOM 125 C ILE A 9 9.940 -4.733 -12.198 1.00 74.32 C ATOM 126 O ILE A 9 11.006 -4.483 -12.758 1.00 34.45 O ATOM 127 CB ILE A 9 8.403 -2.691 -12.028 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.214 -1.988 -12.684 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.671 -1.836 -12.076 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.579 -0.976 -11.728 1.00 3.44 C ATOM 0 H ILE A 9 6.933 -4.666 -11.607 1.00 72.22 H new ATOM 0 HA ILE A 9 8.740 -3.886 -13.729 1.00 63.35 H new ATOM 0 HB ILE A 9 8.152 -2.837 -10.977 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.542 -1.480 -13.591 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.470 -2.727 -12.984 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.473 -0.865 -11.622 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.469 -2.337 -11.527 1.00 10.42 H new ATOM 0 HG23 ILE A 9 9.976 -1.696 -13.113 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.736 -0.490 -12.220 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.230 -1.491 -10.833 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.318 -0.225 -11.450 1.00 3.44 H new ATOM 142 N PHE A 10 9.807 -5.572 -11.180 1.00 22.51 N ATOM 143 CA PHE A 10 10.954 -6.279 -10.637 1.00 30.30 C ATOM 144 C PHE A 10 11.491 -7.303 -11.639 1.00 54.03 C ATOM 145 O PHE A 10 12.649 -7.707 -11.558 1.00 62.33 O ATOM 146 CB PHE A 10 10.475 -7.012 -9.383 1.00 71.01 C ATOM 147 CG PHE A 10 11.349 -8.204 -8.987 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.535 -7.998 -8.355 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.939 -9.470 -9.267 1.00 65.44 C ATOM 150 CE1 PHE A 10 13.347 -9.104 -7.989 1.00 45.31 C ATOM 151 CE2 PHE A 10 11.749 -10.577 -8.900 1.00 63.41 C ATOM 152 CZ PHE A 10 12.937 -10.370 -8.268 1.00 72.24 C ATOM 0 H PHE A 10 8.922 -5.778 -10.717 1.00 22.51 H new ATOM 0 HA PHE A 10 11.755 -5.574 -10.415 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.442 -6.307 -8.553 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.455 -7.360 -9.546 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.860 -6.993 -8.131 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.997 -9.634 -9.769 1.00 65.44 H new ATOM 0 HE1 PHE A 10 14.290 -8.940 -7.489 1.00 45.31 H new ATOM 0 HE2 PHE A 10 11.423 -11.582 -9.122 1.00 63.41 H new ATOM 0 HZ PHE A 10 13.554 -11.211 -7.988 1.00 72.24 H new ATOM 162 N ILE A 11 10.622 -7.694 -12.559 1.00 5.51 N ATOM 163 CA ILE A 11 10.995 -8.664 -13.575 1.00 1.20 C ATOM 164 C ILE A 11 11.656 -7.938 -14.749 1.00 50.30 C ATOM 165 O ILE A 11 12.830 -8.163 -15.041 1.00 63.10 O ATOM 166 CB ILE A 11 9.784 -9.509 -13.979 1.00 12.30 C ATOM 167 CG1 ILE A 11 9.305 -10.373 -12.810 1.00 73.50 C ATOM 168 CG2 ILE A 11 10.090 -10.345 -15.223 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.915 -10.949 -13.089 1.00 31.21 C ATOM 0 H ILE A 11 9.661 -7.357 -12.622 1.00 5.51 H new ATOM 0 HA ILE A 11 11.729 -9.367 -13.180 1.00 1.20 H new ATOM 0 HB ILE A 11 8.967 -8.835 -14.237 1.00 12.30 H new ATOM 0 HG12 ILE A 11 10.012 -11.185 -12.639 1.00 73.50 H new ATOM 0 HG13 ILE A 11 9.279 -9.776 -11.898 1.00 73.50 H new ATOM 0 HG21 ILE A 11 9.214 -10.936 -15.489 1.00 74.44 H new ATOM 0 HG22 ILE A 11 10.347 -9.684 -16.051 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.928 -11.011 -15.017 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.597 -11.559 -12.243 1.00 31.21 H new ATOM 0 HD12 ILE A 11 7.206 -10.134 -13.235 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.950 -11.565 -13.988 1.00 31.21 H new ATOM 181 N MET A 12 10.875 -7.082 -15.390 1.00 24.33 N ATOM 182 CA MET A 12 11.369 -6.322 -16.525 1.00 1.20 C ATOM 183 C MET A 12 12.668 -5.594 -16.173 1.00 33.53 C ATOM 184 O MET A 12 13.429 -5.210 -17.060 1.00 42.35 O ATOM 185 CB MET A 12 10.313 -5.302 -16.957 1.00 60.40 C ATOM 186 CG MET A 12 9.349 -5.910 -17.977 1.00 23.04 C ATOM 187 SD MET A 12 8.233 -7.041 -17.163 1.00 15.25 S ATOM 188 CE MET A 12 7.166 -7.463 -18.530 1.00 65.42 C ATOM 0 H MET A 12 9.902 -6.898 -15.145 1.00 24.33 H new ATOM 0 HA MET A 12 11.572 -7.015 -17.341 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.756 -4.958 -16.085 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.801 -4.428 -17.389 1.00 60.40 H new ATOM 0 HG2 MET A 12 8.783 -5.120 -18.471 1.00 23.04 H new ATOM 0 HG3 MET A 12 9.909 -6.433 -18.752 1.00 23.04 H new ATOM 0 HE1 MET A 12 6.405 -8.167 -18.194 1.00 65.42 H new ATOM 0 HE2 MET A 12 6.684 -6.561 -18.908 1.00 65.42 H new ATOM 0 HE3 MET A 12 7.756 -7.919 -19.325 1.00 65.42 H new ATOM 198 N LYS A 13 12.882 -5.426 -14.876 1.00 62.15 N ATOM 199 CA LYS A 13 14.076 -4.751 -14.395 1.00 62.04 C ATOM 200 C LYS A 13 15.026 -5.781 -13.782 1.00 3.45 C ATOM 201 O LYS A 13 16.234 -5.731 -14.011 1.00 2.42 O ATOM 202 CB LYS A 13 13.702 -3.614 -13.443 1.00 42.23 C ATOM 203 CG LYS A 13 12.852 -2.560 -14.154 1.00 64.41 C ATOM 204 CD LYS A 13 12.786 -1.267 -13.338 1.00 24.41 C ATOM 205 CE LYS A 13 11.598 -0.405 -13.771 1.00 3.12 C ATOM 206 NZ LYS A 13 11.998 0.523 -14.851 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.249 -5.746 -14.143 1.00 62.15 H new ATOM 0 HA LYS A 13 14.607 -4.280 -15.222 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.153 -4.014 -12.591 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.607 -3.151 -13.050 1.00 42.23 H new ATOM 0 HG2 LYS A 13 13.272 -2.352 -15.138 1.00 64.41 H new ATOM 0 HG3 LYS A 13 11.845 -2.946 -14.312 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.699 -1.506 -12.278 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.712 -0.706 -13.464 1.00 24.41 H new ATOM 0 HE2 LYS A 13 10.784 -1.043 -14.115 1.00 3.12 H new ATOM 0 HE3 LYS A 13 11.221 0.160 -12.919 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 11.180 1.100 -15.133 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 12.760 1.144 -14.511 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 12.336 -0.022 -15.670 1.00 43.44 H new ATOM 219 N CYS A 14 14.446 -6.690 -13.012 1.00 12.24 N ATOM 220 CA CYS A 14 15.226 -7.730 -12.364 1.00 32.54 C ATOM 221 C CYS A 14 14.617 -9.086 -12.727 1.00 32.32 C ATOM 222 O CYS A 14 13.935 -9.703 -11.910 1.00 22.25 O ATOM 223 CB CYS A 14 15.296 -7.523 -10.849 1.00 14.53 C ATOM 224 SG CYS A 14 15.034 -5.798 -10.298 1.00 23.33 S ATOM 0 H CYS A 14 13.444 -6.728 -12.822 1.00 12.24 H new ATOM 0 HA CYS A 14 16.256 -7.690 -12.719 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.548 -8.159 -10.375 1.00 14.53 H new ATOM 0 HB3 CYS A 14 16.271 -7.859 -10.495 1.00 14.53 H new ATOM 0 HG CYS A 14 15.112 -5.740 -9.002 1.00 23.33 H new ATOM 229 N SER A 15 14.884 -9.508 -13.954 1.00 63.31 N ATOM 230 CA SER A 15 14.371 -10.780 -14.436 1.00 52.21 C ATOM 231 C SER A 15 15.529 -11.735 -14.730 1.00 14.32 C ATOM 232 O SER A 15 16.632 -11.297 -15.053 1.00 24.42 O ATOM 233 CB SER A 15 13.511 -10.588 -15.687 1.00 24.11 C ATOM 234 OG SER A 15 13.506 -11.748 -16.514 1.00 62.04 O ATOM 0 H SER A 15 15.449 -8.992 -14.629 1.00 63.31 H new ATOM 0 HA SER A 15 13.742 -11.212 -13.657 1.00 52.21 H new ATOM 0 HB2 SER A 15 12.489 -10.349 -15.392 1.00 24.11 H new ATOM 0 HB3 SER A 15 13.885 -9.738 -16.257 1.00 24.11 H new ATOM 0 HG SER A 15 12.945 -11.586 -17.301 1.00 62.04 H new ATOM 240 N GLN A 16 15.238 -13.021 -14.605 1.00 3.25 N ATOM 241 CA GLN A 16 16.242 -14.042 -14.854 1.00 0.11 C ATOM 242 C GLN A 16 17.561 -13.666 -14.175 1.00 64.21 C ATOM 243 O GLN A 16 18.636 -13.974 -14.687 1.00 52.24 O ATOM 244 CB GLN A 16 16.441 -14.263 -16.354 1.00 55.01 C ATOM 245 CG GLN A 16 15.250 -15.008 -16.962 1.00 51.45 C ATOM 246 CD GLN A 16 15.431 -15.193 -18.469 1.00 65.25 C ATOM 247 OE1 GLN A 16 15.274 -14.275 -19.258 1.00 12.42 O ATOM 248 NE2 GLN A 16 15.769 -16.429 -18.825 1.00 43.12 N ATOM 0 H GLN A 16 14.322 -13.380 -14.335 1.00 3.25 H new ATOM 0 HA GLN A 16 15.890 -14.981 -14.427 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.567 -13.302 -16.853 1.00 55.01 H new ATOM 0 HB3 GLN A 16 17.355 -14.832 -16.523 1.00 55.01 H new ATOM 0 HG2 GLN A 16 15.142 -15.981 -16.483 1.00 51.45 H new ATOM 0 HG3 GLN A 16 14.332 -14.453 -16.768 1.00 51.45 H new ATOM 0 HE21 GLN A 16 15.884 -17.151 -18.114 1.00 43.12 H new ATOM 0 HE22 GLN A 16 15.913 -16.655 -19.809 1.00 43.12 H new ATOM 257 N CYS A 17 17.435 -13.005 -13.034 1.00 41.41 N ATOM 258 CA CYS A 17 18.604 -12.584 -12.280 1.00 75.41 C ATOM 259 C CYS A 17 18.326 -12.817 -10.793 1.00 51.53 C ATOM 260 O CYS A 17 19.050 -13.560 -10.133 1.00 52.44 O ATOM 261 CB CYS A 17 18.969 -11.127 -12.571 1.00 31.53 C ATOM 262 SG CYS A 17 20.098 -10.887 -13.990 1.00 22.31 S ATOM 0 H CYS A 17 16.541 -12.750 -12.613 1.00 41.41 H new ATOM 0 HA CYS A 17 19.468 -13.174 -12.584 1.00 75.41 H new ATOM 0 HB2 CYS A 17 18.052 -10.568 -12.756 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.430 -10.698 -11.681 1.00 31.53 H new ATOM 0 HG CYS A 17 20.336 -9.618 -14.145 1.00 22.31 H new ATOM 267 N HIS A 18 17.277 -12.169 -10.311 1.00 64.33 N ATOM 268 CA HIS A 18 16.896 -12.296 -8.915 1.00 50.04 C ATOM 269 C HIS A 18 15.697 -13.240 -8.795 1.00 45.23 C ATOM 270 O HIS A 18 14.701 -13.076 -9.495 1.00 13.43 O ATOM 271 CB HIS A 18 16.632 -10.922 -8.296 1.00 30.21 C ATOM 272 CG HIS A 18 17.885 -10.142 -7.978 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.741 -10.485 -6.946 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.418 -9.032 -8.566 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.739 -9.615 -6.923 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.537 -8.715 -7.927 1.00 4.41 N ATOM 0 H HIS A 18 16.678 -11.554 -10.862 1.00 64.33 H new ATOM 0 HA HIS A 18 17.718 -12.733 -8.348 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.017 -10.338 -8.981 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.055 -11.052 -7.381 1.00 30.21 H new ATOM 0 HD2 HIS A 18 18.000 -8.501 -9.409 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.568 -9.618 -6.230 1.00 1.34 H new ATOM 0 HE2 HIS A 18 20.146 -7.928 -8.150 1.00 4.41 H new ATOM 284 N THR A 19 15.835 -14.207 -7.901 1.00 3.13 N ATOM 285 CA THR A 19 14.776 -15.178 -7.678 1.00 10.30 C ATOM 286 C THR A 19 13.843 -14.703 -6.564 1.00 53.54 C ATOM 287 O THR A 19 12.656 -15.028 -6.562 1.00 63.55 O ATOM 288 CB THR A 19 15.428 -16.532 -7.389 1.00 22.40 C ATOM 289 OG1 THR A 19 16.453 -16.229 -6.446 1.00 12.31 O ATOM 290 CG2 THR A 19 16.186 -17.086 -8.598 1.00 53.02 C ATOM 0 H THR A 19 16.664 -14.340 -7.322 1.00 3.13 H new ATOM 0 HA THR A 19 14.147 -15.286 -8.562 1.00 10.30 H new ATOM 0 HB THR A 19 14.663 -17.245 -7.081 1.00 22.40 H new ATOM 0 HG1 THR A 19 16.926 -17.052 -6.202 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.630 -18.048 -8.340 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.496 -17.217 -9.431 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.973 -16.389 -8.885 1.00 53.02 H new ATOM 298 N VAL A 20 14.412 -13.941 -5.642 1.00 23.12 N ATOM 299 CA VAL A 20 13.646 -13.418 -4.524 1.00 24.13 C ATOM 300 C VAL A 20 12.799 -14.541 -3.923 1.00 41.42 C ATOM 301 O VAL A 20 11.724 -14.289 -3.378 1.00 25.44 O ATOM 302 CB VAL A 20 12.813 -12.216 -4.977 1.00 32.22 C ATOM 303 CG1 VAL A 20 13.712 -11.076 -5.458 1.00 62.12 C ATOM 304 CG2 VAL A 20 11.813 -12.621 -6.062 1.00 12.44 C ATOM 0 H VAL A 20 15.396 -13.673 -5.646 1.00 23.12 H new ATOM 0 HA VAL A 20 14.311 -13.058 -3.740 1.00 24.13 H new ATOM 0 HB VAL A 20 12.248 -11.856 -4.117 1.00 32.22 H new ATOM 0 HG11 VAL A 20 13.095 -10.235 -5.774 1.00 62.12 H new ATOM 0 HG12 VAL A 20 14.366 -10.761 -4.645 1.00 62.12 H new ATOM 0 HG13 VAL A 20 14.316 -11.419 -6.298 1.00 62.12 H new ATOM 0 HG21 VAL A 20 11.234 -11.749 -6.367 1.00 12.44 H new ATOM 0 HG22 VAL A 20 12.351 -13.018 -6.923 1.00 12.44 H new ATOM 0 HG23 VAL A 20 11.141 -13.385 -5.671 1.00 12.44 H new ATOM 314 N GLU A 21 13.313 -15.756 -4.042 1.00 11.10 N ATOM 315 CA GLU A 21 12.617 -16.918 -3.517 1.00 25.04 C ATOM 316 C GLU A 21 13.143 -17.267 -2.123 1.00 12.30 C ATOM 317 O GLU A 21 13.969 -16.545 -1.569 1.00 52.20 O ATOM 318 CB GLU A 21 12.747 -18.111 -4.467 1.00 44.12 C ATOM 319 CG GLU A 21 12.065 -17.822 -5.806 1.00 55.24 C ATOM 320 CD GLU A 21 11.541 -19.109 -6.443 1.00 31.53 C ATOM 321 OE1 GLU A 21 10.572 -19.701 -5.941 1.00 42.20 O ATOM 322 OE2 GLU A 21 12.174 -19.494 -7.499 1.00 50.23 O1- ATOM 0 H GLU A 21 14.204 -15.961 -4.495 1.00 11.10 H new ATOM 0 HA GLU A 21 11.558 -16.676 -3.434 1.00 25.04 H new ATOM 0 HB2 GLU A 21 13.801 -18.336 -4.632 1.00 44.12 H new ATOM 0 HB3 GLU A 21 12.301 -18.994 -4.011 1.00 44.12 H new ATOM 0 HG2 GLU A 21 11.241 -17.125 -5.655 1.00 55.24 H new ATOM 0 HG3 GLU A 21 12.771 -17.339 -6.481 1.00 55.24 H new ATOM 365 N LYS A 25 17.348 -21.422 -6.449 1.00 43.10 N ATOM 366 CA LYS A 25 18.770 -21.573 -6.704 1.00 25.50 C ATOM 367 C LYS A 25 19.410 -20.189 -6.833 1.00 31.53 C ATOM 368 O LYS A 25 18.716 -19.174 -6.789 1.00 63.34 O ATOM 369 CB LYS A 25 19.005 -22.475 -7.917 1.00 45.42 C ATOM 370 CG LYS A 25 18.801 -21.703 -9.222 1.00 33.12 C ATOM 371 CD LYS A 25 17.314 -21.470 -9.494 1.00 51.15 C ATOM 372 CE LYS A 25 16.564 -22.799 -9.618 1.00 20.45 C ATOM 373 NZ LYS A 25 15.390 -22.651 -10.506 1.00 61.34 N1+ ATOM 0 HA LYS A 25 19.256 -22.073 -5.866 1.00 25.50 H new ATOM 0 HB2 LYS A 25 20.017 -22.879 -7.884 1.00 45.42 H new ATOM 0 HB3 LYS A 25 18.322 -23.323 -7.882 1.00 45.42 H new ATOM 0 HG2 LYS A 25 19.319 -20.745 -9.167 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.243 -22.257 -10.050 1.00 33.12 H new ATOM 0 HD2 LYS A 25 16.881 -20.878 -8.687 1.00 51.15 H new ATOM 0 HD3 LYS A 25 17.194 -20.894 -10.412 1.00 51.15 H new ATOM 0 HE2 LYS A 25 17.232 -23.565 -10.013 1.00 20.45 H new ATOM 0 HE3 LYS A 25 16.242 -23.135 -8.632 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 14.893 -23.562 -10.579 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 14.746 -21.935 -10.113 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 15.705 -22.352 -11.451 1.00 61.34 H new ATOM 386 N HIS A 26 20.724 -20.192 -6.991 1.00 35.31 N ATOM 387 CA HIS A 26 21.465 -18.949 -7.128 1.00 31.21 C ATOM 388 C HIS A 26 21.748 -18.680 -8.607 1.00 31.35 C ATOM 389 O HIS A 26 22.861 -18.901 -9.081 1.00 63.11 O ATOM 390 CB HIS A 26 22.736 -18.978 -6.277 1.00 60.42 C ATOM 391 CG HIS A 26 22.480 -18.980 -4.789 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.520 -17.830 -4.019 1.00 53.11 N ATOM 393 CD2 HIS A 26 22.178 -20.003 -3.939 1.00 43.12 C ATOM 394 CE1 HIS A 26 22.255 -18.158 -2.764 1.00 4.22 C ATOM 395 NE2 HIS A 26 22.044 -19.505 -2.716 1.00 45.54 N ATOM 0 H HIS A 26 21.296 -21.036 -7.027 1.00 35.31 H new ATOM 0 HA HIS A 26 20.865 -18.120 -6.753 1.00 31.21 H new ATOM 0 HB2 HIS A 26 23.314 -19.865 -6.537 1.00 60.42 H new ATOM 0 HB3 HIS A 26 23.349 -18.112 -6.528 1.00 60.42 H new ATOM 0 HD2 HIS A 26 22.067 -21.041 -4.214 1.00 43.12 H new ATOM 0 HE1 HIS A 26 22.213 -17.479 -1.926 1.00 4.22 H new ATOM 0 HE2 HIS A 26 21.820 -20.041 -1.878 1.00 45.54 H new ATOM 403 N LYS A 27 20.720 -18.206 -9.296 1.00 43.43 N ATOM 404 CA LYS A 27 20.843 -17.905 -10.713 1.00 42.03 C ATOM 405 C LYS A 27 21.838 -16.758 -10.900 1.00 2.45 C ATOM 406 O LYS A 27 22.554 -16.394 -9.969 1.00 22.32 O ATOM 407 CB LYS A 27 19.467 -17.631 -11.324 1.00 4.12 C ATOM 408 CG LYS A 27 18.931 -18.870 -12.045 1.00 44.14 C ATOM 409 CD LYS A 27 18.110 -18.476 -13.273 1.00 74.23 C ATOM 410 CE LYS A 27 19.018 -18.028 -14.420 1.00 2.05 C ATOM 411 NZ LYS A 27 18.445 -18.430 -15.724 1.00 22.44 N1+ ATOM 0 H LYS A 27 19.798 -18.023 -8.900 1.00 43.43 H new ATOM 0 HA LYS A 27 21.240 -18.765 -11.253 1.00 42.03 H new ATOM 0 HB2 LYS A 27 18.770 -17.332 -10.541 1.00 4.12 H new ATOM 0 HB3 LYS A 27 19.535 -16.799 -12.025 1.00 4.12 H new ATOM 0 HG2 LYS A 27 19.762 -19.507 -12.348 1.00 44.14 H new ATOM 0 HG3 LYS A 27 18.314 -19.454 -11.362 1.00 44.14 H new ATOM 0 HD2 LYS A 27 17.502 -19.322 -13.595 1.00 74.23 H new ATOM 0 HD3 LYS A 27 17.423 -17.671 -13.012 1.00 74.23 H new ATOM 0 HE2 LYS A 27 19.144 -16.946 -14.390 1.00 2.05 H new ATOM 0 HE3 LYS A 27 20.008 -18.468 -14.300 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 19.074 -18.118 -16.491 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 18.347 -19.465 -15.756 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 17.510 -17.990 -15.843 1.00 22.44 H new ATOM 424 N THR A 28 21.852 -16.221 -12.111 1.00 45.00 N ATOM 425 CA THR A 28 22.748 -15.123 -12.433 1.00 61.12 C ATOM 426 C THR A 28 22.855 -14.158 -11.251 1.00 45.43 C ATOM 427 O THR A 28 23.913 -13.577 -11.014 1.00 2.21 O ATOM 428 CB THR A 28 22.241 -14.460 -13.715 1.00 35.30 C ATOM 429 OG1 THR A 28 20.823 -14.574 -13.628 1.00 61.25 O ATOM 430 CG2 THR A 28 22.602 -15.258 -14.970 1.00 51.31 C ATOM 0 H THR A 28 21.257 -16.526 -12.881 1.00 45.00 H new ATOM 0 HA THR A 28 23.762 -15.480 -12.613 1.00 61.12 H new ATOM 0 HB THR A 28 22.656 -13.455 -13.792 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.412 -14.155 -14.413 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.219 -14.743 -15.851 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.686 -15.348 -15.045 1.00 51.31 H new ATOM 0 HG23 THR A 28 22.159 -16.252 -14.909 1.00 51.31 H new ATOM 438 N GLY A 29 21.746 -14.017 -10.541 1.00 10.45 N ATOM 439 CA GLY A 29 21.702 -13.133 -9.390 1.00 52.43 C ATOM 440 C GLY A 29 21.459 -13.921 -8.101 1.00 73.33 C ATOM 441 O GLY A 29 20.905 -15.019 -8.136 1.00 12.41 O ATOM 0 H GLY A 29 20.870 -14.501 -10.741 1.00 10.45 H new ATOM 0 HA2 GLY A 29 22.640 -12.584 -9.313 1.00 52.43 H new ATOM 0 HA3 GLY A 29 20.911 -12.395 -9.524 1.00 52.43 H new ATOM 445 N PRO A 30 21.898 -13.317 -6.965 1.00 64.11 N ATOM 446 CA PRO A 30 21.733 -13.950 -5.668 1.00 53.23 C ATOM 447 C PRO A 30 20.280 -13.864 -5.195 1.00 41.02 C ATOM 448 O PRO A 30 19.549 -12.957 -5.590 1.00 1.24 O ATOM 449 CB PRO A 30 22.701 -13.223 -4.750 1.00 21.01 C ATOM 450 CG PRO A 30 23.030 -11.912 -5.444 1.00 61.15 C ATOM 451 CD PRO A 30 22.558 -12.017 -6.885 1.00 30.43 C ATOM 0 HA PRO A 30 21.952 -15.018 -5.690 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.253 -13.045 -3.772 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.602 -13.814 -4.585 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.538 -11.080 -4.941 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.102 -11.719 -5.406 1.00 61.15 H new ATOM 0 HD2 PRO A 30 21.872 -11.208 -7.137 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.394 -11.954 -7.581 1.00 30.43 H new ATOM 459 N ASN A 31 19.906 -14.817 -4.355 1.00 42.21 N ATOM 460 CA ASN A 31 18.555 -14.861 -3.824 1.00 54.23 C ATOM 461 C ASN A 31 18.400 -13.785 -2.748 1.00 24.12 C ATOM 462 O ASN A 31 19.392 -13.288 -2.214 1.00 22.02 O ATOM 463 CB ASN A 31 18.258 -16.217 -3.183 1.00 1.42 C ATOM 464 CG ASN A 31 16.757 -16.514 -3.200 1.00 33.11 C ATOM 465 OD1 ASN A 31 15.921 -15.631 -3.092 1.00 34.33 O ATOM 466 ND2 ASN A 31 16.461 -17.804 -3.341 1.00 24.23 N ATOM 0 H ASN A 31 20.516 -15.566 -4.028 1.00 42.21 H new ATOM 0 HA ASN A 31 17.863 -14.694 -4.649 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.794 -17.001 -3.718 1.00 1.42 H new ATOM 0 HB3 ASN A 31 18.623 -16.225 -2.156 1.00 1.42 H new ATOM 0 HD21 ASN A 31 15.486 -18.104 -3.364 1.00 24.23 H new ATOM 0 HD22 ASN A 31 17.209 -18.492 -3.426 1.00 24.23 H new ATOM 473 N LEU A 32 17.150 -13.456 -2.460 1.00 74.54 N ATOM 474 CA LEU A 32 16.853 -12.448 -1.455 1.00 5.51 C ATOM 475 C LEU A 32 15.766 -12.974 -0.516 1.00 71.53 C ATOM 476 O LEU A 32 14.589 -12.994 -0.873 1.00 22.25 O ATOM 477 CB LEU A 32 16.499 -11.117 -2.122 1.00 14.14 C ATOM 478 CG LEU A 32 17.335 -10.735 -3.344 1.00 30.32 C ATOM 479 CD1 LEU A 32 16.781 -11.384 -4.612 1.00 72.11 C ATOM 480 CD2 LEU A 32 17.445 -9.214 -3.479 1.00 23.23 C ATOM 0 H LEU A 32 16.330 -13.869 -2.905 1.00 74.54 H new ATOM 0 HA LEU A 32 17.733 -12.248 -0.843 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.451 -11.150 -2.420 1.00 14.14 H new ATOM 0 HB3 LEU A 32 16.594 -10.325 -1.379 1.00 14.14 H new ATOM 0 HG LEU A 32 18.345 -11.120 -3.201 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.394 -11.096 -5.466 1.00 72.11 H new ATOM 0 HD12 LEU A 32 16.798 -12.468 -4.503 1.00 72.11 H new ATOM 0 HD13 LEU A 32 15.756 -11.051 -4.773 1.00 72.11 H new ATOM 0 HD21 LEU A 32 18.044 -8.969 -4.356 1.00 23.23 H new ATOM 0 HD22 LEU A 32 16.449 -8.786 -3.589 1.00 23.23 H new ATOM 0 HD23 LEU A 32 17.920 -8.803 -2.588 1.00 23.23 H new ATOM 492 N HIS A 33 16.199 -13.389 0.665 1.00 14.50 N ATOM 493 CA HIS A 33 15.279 -13.915 1.658 1.00 13.44 C ATOM 494 C HIS A 33 15.236 -12.977 2.867 1.00 62.54 C ATOM 495 O HIS A 33 14.168 -12.506 3.255 1.00 23.12 O ATOM 496 CB HIS A 33 15.646 -15.350 2.035 1.00 5.43 C ATOM 497 CG HIS A 33 14.830 -15.916 3.173 1.00 22.13 C ATOM 498 ND1 HIS A 33 13.922 -16.947 3.004 1.00 13.25 N ATOM 499 CD2 HIS A 33 14.796 -15.584 4.496 1.00 23.11 C ATOM 500 CE1 HIS A 33 13.371 -17.214 4.179 1.00 64.43 C ATOM 501 NE2 HIS A 33 13.914 -16.369 5.102 1.00 50.42 N ATOM 0 H HIS A 33 17.176 -13.371 0.957 1.00 14.50 H new ATOM 0 HA HIS A 33 14.274 -13.958 1.239 1.00 13.44 H new ATOM 0 HB2 HIS A 33 15.521 -15.988 1.160 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.701 -15.385 2.306 1.00 5.43 H new ATOM 0 HD2 HIS A 33 15.386 -14.814 4.969 1.00 23.11 H new ATOM 0 HE1 HIS A 33 12.623 -17.969 4.372 1.00 64.43 H new ATOM 0 HE2 HIS A 33 13.681 -16.345 6.095 1.00 50.42 H new ATOM 509 N GLY A 34 16.412 -12.734 3.428 1.00 75.21 N ATOM 510 CA GLY A 34 16.523 -11.861 4.584 1.00 51.24 C ATOM 511 C GLY A 34 17.036 -10.478 4.179 1.00 41.32 C ATOM 512 O GLY A 34 17.713 -9.810 4.960 1.00 23.54 O ATOM 0 H GLY A 34 17.296 -13.126 3.103 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.550 -11.765 5.067 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.199 -12.304 5.315 1.00 51.24 H new ATOM 516 N LEU A 35 16.696 -10.090 2.959 1.00 32.14 N ATOM 517 CA LEU A 35 17.114 -8.798 2.441 1.00 14.33 C ATOM 518 C LEU A 35 16.961 -7.740 3.536 1.00 14.32 C ATOM 519 O LEU A 35 17.948 -7.311 4.132 1.00 23.33 O ATOM 520 CB LEU A 35 16.355 -8.465 1.154 1.00 1.34 C ATOM 521 CG LEU A 35 16.412 -7.005 0.701 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.803 -6.648 0.174 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.316 -6.707 -0.324 1.00 20.03 C ATOM 0 H LEU A 35 16.136 -10.647 2.314 1.00 32.14 H new ATOM 0 HA LEU A 35 18.168 -8.822 2.165 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.748 -9.089 0.352 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.310 -8.742 1.290 1.00 1.34 H new ATOM 0 HG LEU A 35 16.224 -6.370 1.567 1.00 70.13 H new ATOM 0 HD11 LEU A 35 17.816 -5.605 -0.141 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.540 -6.798 0.963 1.00 23.22 H new ATOM 0 HD13 LEU A 35 18.045 -7.287 -0.675 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.378 -5.663 -0.630 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.448 -7.349 -1.195 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.340 -6.897 0.122 1.00 20.03 H new ATOM 535 N PHE A 36 15.716 -7.351 3.768 1.00 5.35 N ATOM 536 CA PHE A 36 15.421 -6.351 4.781 1.00 22.24 C ATOM 537 C PHE A 36 15.782 -6.863 6.177 1.00 61.41 C ATOM 538 O PHE A 36 15.171 -7.809 6.673 1.00 2.04 O ATOM 539 CB PHE A 36 13.915 -6.085 4.721 1.00 52.13 C ATOM 540 CG PHE A 36 13.472 -5.288 3.494 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.173 -5.933 2.335 1.00 33.42 C ATOM 542 CD2 PHE A 36 13.378 -3.933 3.561 1.00 23.43 C ATOM 543 CE1 PHE A 36 12.761 -5.193 1.195 1.00 1.43 C ATOM 544 CE2 PHE A 36 12.967 -3.192 2.421 1.00 12.33 C ATOM 545 CZ PHE A 36 12.667 -3.838 1.263 1.00 2.54 C ATOM 0 H PHE A 36 14.900 -7.710 3.272 1.00 5.35 H new ATOM 0 HA PHE A 36 16.001 -5.448 4.593 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.387 -7.039 4.732 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.616 -5.545 5.619 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.249 -7.009 2.281 1.00 33.42 H new ATOM 0 HD2 PHE A 36 13.616 -3.420 4.481 1.00 23.43 H new ATOM 0 HE1 PHE A 36 12.523 -5.706 0.275 1.00 1.43 H new ATOM 0 HE2 PHE A 36 12.893 -2.116 2.474 1.00 12.33 H new ATOM 0 HZ PHE A 36 12.354 -3.275 0.396 1.00 2.54 H new ATOM 555 N GLY A 37 16.772 -6.214 6.772 1.00 15.13 N ATOM 556 CA GLY A 37 17.221 -6.591 8.101 1.00 44.23 C ATOM 557 C GLY A 37 18.469 -7.476 8.028 1.00 13.23 C ATOM 558 O GLY A 37 18.697 -8.307 8.906 1.00 33.14 O ATOM 0 H GLY A 37 17.276 -5.430 6.358 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.439 -5.695 8.683 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.424 -7.122 8.621 1.00 44.23 H new ATOM 562 N ARG A 38 19.243 -7.265 6.974 1.00 71.12 N ATOM 563 CA ARG A 38 20.460 -8.032 6.775 1.00 72.15 C ATOM 564 C ARG A 38 21.528 -7.169 6.099 1.00 53.24 C ATOM 565 O ARG A 38 21.204 -6.220 5.386 1.00 74.14 O ATOM 566 CB ARG A 38 20.198 -9.270 5.915 1.00 13.11 C ATOM 567 CG ARG A 38 21.466 -10.112 5.763 1.00 61.12 C ATOM 568 CD ARG A 38 21.151 -11.472 5.138 1.00 23.15 C ATOM 569 NE ARG A 38 20.726 -11.297 3.731 1.00 44.20 N ATOM 570 CZ ARG A 38 20.361 -12.312 2.919 1.00 15.22 C ATOM 571 NH1 ARG A 38 20.364 -13.585 3.369 1.00 2.45 N ATOM 572 NH2 ARG A 38 20.000 -12.040 1.679 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.051 -6.574 6.249 1.00 71.12 H new ATOM 0 HA ARG A 38 20.812 -8.352 7.756 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.410 -9.872 6.368 1.00 13.11 H new ATOM 0 HB3 ARG A 38 19.840 -8.965 4.932 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.187 -9.581 5.142 1.00 61.12 H new ATOM 0 HG3 ARG A 38 21.931 -10.255 6.739 1.00 61.12 H new ATOM 0 HD2 ARG A 38 22.030 -12.115 5.184 1.00 23.15 H new ATOM 0 HD3 ARG A 38 20.364 -11.968 5.705 1.00 23.15 H new ATOM 0 HE ARG A 38 20.708 -10.351 3.351 1.00 44.20 H new ATOM 0 HH11 ARG A 38 20.643 -13.786 4.329 1.00 2.45 H new ATOM 0 HH12 ARG A 38 20.087 -14.346 2.749 1.00 2.45 H new ATOM 0 HH21 ARG A 38 20.000 -11.075 1.348 1.00 43.34 H new ATOM 0 HH22 ARG A 38 19.721 -12.795 1.052 1.00 43.34 H new ATOM 585 N LYS A 39 22.779 -7.528 6.346 1.00 1.25 N ATOM 586 CA LYS A 39 23.896 -6.798 5.771 1.00 23.04 C ATOM 587 C LYS A 39 24.128 -7.279 4.337 1.00 30.04 C ATOM 588 O LYS A 39 23.491 -8.228 3.886 1.00 3.20 O ATOM 589 CB LYS A 39 25.130 -6.913 6.667 1.00 65.41 C ATOM 590 CG LYS A 39 25.166 -5.785 7.700 1.00 52.45 C ATOM 591 CD LYS A 39 26.040 -6.165 8.897 1.00 54.13 C ATOM 592 CE LYS A 39 25.289 -7.099 9.849 1.00 12.24 C ATOM 593 NZ LYS A 39 26.239 -7.813 10.730 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.044 -8.316 6.937 1.00 1.25 H new ATOM 0 HA LYS A 39 23.669 -5.733 5.718 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.125 -7.877 7.176 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.032 -6.880 6.056 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.551 -4.876 7.238 1.00 52.45 H new ATOM 0 HG3 LYS A 39 24.154 -5.566 8.039 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.951 -6.652 8.547 1.00 54.13 H new ATOM 0 HD3 LYS A 39 26.345 -5.264 9.430 1.00 54.13 H new ATOM 0 HE2 LYS A 39 24.586 -6.525 10.452 1.00 12.24 H new ATOM 0 HE3 LYS A 39 24.704 -7.818 9.276 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 25.713 -8.442 11.370 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.894 -8.376 10.151 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 26.779 -7.123 11.290 1.00 2.13 H new ATOM 606 N THR A 40 25.045 -6.601 3.662 1.00 35.13 N ATOM 607 CA THR A 40 25.370 -6.946 2.289 1.00 75.44 C ATOM 608 C THR A 40 26.412 -8.067 2.253 1.00 43.11 C ATOM 609 O THR A 40 27.256 -8.163 3.144 1.00 72.31 O ATOM 610 CB THR A 40 25.825 -5.672 1.575 1.00 74.21 C ATOM 611 OG1 THR A 40 27.048 -5.329 2.220 1.00 42.25 O ATOM 612 CG2 THR A 40 24.907 -4.482 1.861 1.00 52.34 C ATOM 0 H THR A 40 25.573 -5.815 4.041 1.00 35.13 H new ATOM 0 HA THR A 40 24.499 -7.337 1.763 1.00 75.44 H new ATOM 0 HB THR A 40 25.863 -5.852 0.501 1.00 74.21 H new ATOM 0 HG1 THR A 40 26.901 -4.565 2.816 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.274 -3.603 1.331 1.00 52.34 H new ATOM 0 HG22 THR A 40 23.896 -4.713 1.524 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.895 -4.281 2.932 1.00 52.34 H new ATOM 620 N GLY A 41 26.320 -8.885 1.216 1.00 61.55 N ATOM 621 CA GLY A 41 27.244 -9.995 1.053 1.00 62.50 C ATOM 622 C GLY A 41 27.113 -10.991 2.207 1.00 21.13 C ATOM 623 O GLY A 41 28.115 -11.440 2.760 1.00 23.11 O ATOM 0 H GLY A 41 25.619 -8.802 0.479 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.048 -10.501 0.107 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.266 -9.619 1.007 1.00 62.50 H new ATOM 627 N GLN A 42 25.869 -11.308 2.534 1.00 20.11 N ATOM 628 CA GLN A 42 25.595 -12.243 3.612 1.00 50.44 C ATOM 629 C GLN A 42 25.349 -13.644 3.050 1.00 23.41 C ATOM 630 O GLN A 42 25.723 -14.640 3.669 1.00 22.22 O ATOM 631 CB GLN A 42 24.406 -11.775 4.455 1.00 22.15 C ATOM 632 CG GLN A 42 24.786 -10.569 5.317 1.00 43.33 C ATOM 633 CD GLN A 42 25.999 -10.884 6.195 1.00 74.22 C ATOM 634 OE1 GLN A 42 25.922 -11.623 7.164 1.00 53.24 O ATOM 635 NE2 GLN A 42 27.120 -10.286 5.804 1.00 55.35 N ATOM 0 H GLN A 42 25.040 -10.934 2.072 1.00 20.11 H new ATOM 0 HA GLN A 42 26.468 -12.282 4.263 1.00 50.44 H new ATOM 0 HB2 GLN A 42 23.574 -11.512 3.802 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.065 -12.590 5.093 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.008 -9.715 4.677 1.00 43.33 H new ATOM 0 HG3 GLN A 42 23.941 -10.286 5.945 1.00 43.33 H new ATOM 0 HE21 GLN A 42 27.115 -9.680 4.984 1.00 55.35 H new ATOM 0 HE22 GLN A 42 27.985 -10.433 6.324 1.00 55.35 H new ATOM 644 N ALA A 43 24.723 -13.677 1.883 1.00 70.23 N ATOM 645 CA ALA A 43 24.424 -14.941 1.230 1.00 30.12 C ATOM 646 C ALA A 43 25.605 -15.897 1.412 1.00 64.14 C ATOM 647 O ALA A 43 26.601 -15.802 0.697 1.00 13.20 O ATOM 648 CB ALA A 43 24.100 -14.690 -0.244 1.00 22.12 C ATOM 0 H ALA A 43 24.415 -12.850 1.373 1.00 70.23 H new ATOM 0 HA ALA A 43 23.549 -15.408 1.682 1.00 30.12 H new ATOM 0 HB1 ALA A 43 23.876 -15.638 -0.734 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.236 -14.029 -0.319 1.00 22.12 H new ATOM 0 HB3 ALA A 43 24.957 -14.224 -0.731 1.00 22.12 H new ATOM 654 N PRO A 44 25.450 -16.820 2.399 1.00 21.12 N ATOM 655 CA PRO A 44 26.492 -17.791 2.685 1.00 3.52 C ATOM 656 C PRO A 44 26.526 -18.888 1.618 1.00 70.11 C ATOM 657 O PRO A 44 27.359 -19.791 1.678 1.00 13.44 O ATOM 658 CB PRO A 44 26.165 -18.322 4.072 1.00 43.33 C ATOM 659 CG PRO A 44 24.706 -17.974 4.318 1.00 50.30 C ATOM 660 CD PRO A 44 24.284 -16.961 3.267 1.00 14.51 C ATOM 0 HA PRO A 44 27.491 -17.355 2.665 1.00 3.52 H new ATOM 0 HB2 PRO A 44 26.324 -19.399 4.125 1.00 43.33 H new ATOM 0 HB3 PRO A 44 26.808 -17.867 4.826 1.00 43.33 H new ATOM 0 HG2 PRO A 44 24.085 -18.868 4.257 1.00 50.30 H new ATOM 0 HG3 PRO A 44 24.575 -17.562 5.319 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.415 -17.308 2.709 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.011 -16.009 3.722 1.00 14.51 H new ATOM 668 N GLY A 45 25.610 -18.773 0.667 1.00 63.41 N ATOM 669 CA GLY A 45 25.526 -19.742 -0.411 1.00 62.30 C ATOM 670 C GLY A 45 26.236 -19.231 -1.666 1.00 51.31 C ATOM 671 O GLY A 45 26.660 -20.020 -2.508 1.00 1.41 O ATOM 0 H GLY A 45 24.920 -18.023 0.621 1.00 63.41 H new ATOM 0 HA2 GLY A 45 25.974 -20.684 -0.094 1.00 62.30 H new ATOM 0 HA3 GLY A 45 24.480 -19.947 -0.639 1.00 62.30 H new ATOM 675 N TYR A 46 26.341 -17.912 -1.751 1.00 31.42 N ATOM 676 CA TYR A 46 26.992 -17.286 -2.889 1.00 33.33 C ATOM 677 C TYR A 46 27.547 -15.910 -2.514 1.00 21.45 C ATOM 678 O TYR A 46 26.787 -14.982 -2.249 1.00 53.01 O ATOM 679 CB TYR A 46 25.905 -17.112 -3.953 1.00 11.41 C ATOM 680 CG TYR A 46 26.413 -16.522 -5.270 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.602 -16.967 -5.812 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.683 -15.546 -5.916 1.00 42.12 C ATOM 683 CE1 TYR A 46 28.079 -16.412 -7.053 1.00 41.12 C ATOM 684 CE2 TYR A 46 26.160 -14.991 -7.156 1.00 4.30 C ATOM 685 CZ TYR A 46 27.335 -15.452 -7.663 1.00 64.21 C ATOM 686 OH TYR A 46 27.786 -14.928 -8.834 1.00 73.20 O ATOM 0 H TYR A 46 25.986 -17.261 -1.051 1.00 31.42 H new ATOM 0 HA TYR A 46 27.825 -17.896 -3.238 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.448 -18.081 -4.153 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.122 -16.466 -3.556 1.00 11.41 H new ATOM 0 HD1 TYR A 46 28.174 -17.731 -5.306 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.753 -15.198 -5.491 1.00 42.12 H new ATOM 0 HE1 TYR A 46 29.007 -16.751 -7.489 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.598 -14.226 -7.672 1.00 4.30 H new ATOM 0 HH TYR A 46 27.152 -14.254 -9.156 1.00 73.20 H new ATOM 696 N SER A 47 28.870 -15.823 -2.505 1.00 61.13 N ATOM 697 CA SER A 47 29.535 -14.577 -2.166 1.00 50.02 C ATOM 698 C SER A 47 29.457 -13.605 -3.346 1.00 61.25 C ATOM 699 O SER A 47 29.586 -14.012 -4.499 1.00 74.42 O ATOM 700 CB SER A 47 30.994 -14.821 -1.777 1.00 64.01 C ATOM 701 OG SER A 47 31.645 -15.717 -2.674 1.00 62.20 O ATOM 0 H SER A 47 29.498 -16.595 -2.727 1.00 61.13 H new ATOM 0 HA SER A 47 29.026 -14.139 -1.308 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.529 -13.871 -1.762 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.036 -15.226 -0.766 1.00 64.01 H new ATOM 0 HG SER A 47 32.575 -15.845 -2.391 1.00 62.20 H new ATOM 707 N TYR A 48 29.245 -12.341 -3.015 1.00 23.43 N ATOM 708 CA TYR A 48 29.147 -11.307 -4.032 1.00 51.03 C ATOM 709 C TYR A 48 30.514 -10.679 -4.309 1.00 50.11 C ATOM 710 O TYR A 48 31.521 -11.098 -3.740 1.00 44.52 O ATOM 711 CB TYR A 48 28.215 -10.238 -3.459 1.00 20.35 C ATOM 712 CG TYR A 48 26.920 -10.796 -2.863 1.00 25.13 C ATOM 713 CD1 TYR A 48 26.515 -12.078 -3.171 1.00 3.33 C ATOM 714 CD2 TYR A 48 26.157 -10.016 -2.018 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.297 -12.604 -2.610 1.00 31.53 C ATOM 716 CE2 TYR A 48 24.939 -10.540 -1.457 1.00 74.50 C ATOM 717 CZ TYR A 48 24.570 -11.809 -1.781 1.00 31.14 C ATOM 718 OH TYR A 48 23.419 -12.305 -1.251 1.00 23.04 O ATOM 0 H TYR A 48 29.138 -12.008 -2.057 1.00 23.43 H new ATOM 0 HA TYR A 48 28.778 -11.725 -4.969 1.00 51.03 H new ATOM 0 HB2 TYR A 48 28.748 -9.682 -2.688 1.00 20.35 H new ATOM 0 HB3 TYR A 48 27.964 -9.529 -4.248 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.112 -12.688 -3.833 1.00 3.33 H new ATOM 0 HD2 TYR A 48 26.474 -9.012 -1.777 1.00 40.21 H new ATOM 0 HE1 TYR A 48 24.969 -13.606 -2.843 1.00 31.53 H new ATOM 0 HE2 TYR A 48 24.333 -9.940 -0.795 1.00 74.50 H new ATOM 0 HH TYR A 48 23.005 -11.627 -0.677 1.00 23.04 H new ATOM 728 N THR A 49 30.506 -9.683 -5.183 1.00 5.20 N ATOM 729 CA THR A 49 31.734 -8.993 -5.542 1.00 43.03 C ATOM 730 C THR A 49 32.448 -8.489 -4.287 1.00 11.41 C ATOM 731 O THR A 49 31.922 -8.602 -3.180 1.00 40.24 O ATOM 732 CB THR A 49 31.378 -7.878 -6.528 1.00 0.23 C ATOM 733 OG1 THR A 49 30.186 -7.309 -5.994 1.00 65.43 O ATOM 734 CG2 THR A 49 30.952 -8.419 -7.894 1.00 63.33 C ATOM 0 H THR A 49 29.669 -9.337 -5.653 1.00 5.20 H new ATOM 0 HA THR A 49 32.438 -9.666 -6.030 1.00 43.03 H new ATOM 0 HB THR A 49 32.235 -7.215 -6.650 1.00 0.23 H new ATOM 0 HG1 THR A 49 29.886 -6.576 -6.571 1.00 65.43 H new ATOM 0 HG21 THR A 49 30.710 -7.587 -8.556 1.00 63.33 H new ATOM 0 HG22 THR A 49 31.767 -9.001 -8.325 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.075 -9.055 -7.776 1.00 63.33 H new ATOM 742 N ALA A 50 33.636 -7.941 -4.501 1.00 63.11 N ATOM 743 CA ALA A 50 34.428 -7.418 -3.400 1.00 4.40 C ATOM 744 C ALA A 50 33.897 -6.039 -3.005 1.00 24.52 C ATOM 745 O ALA A 50 34.210 -5.534 -1.928 1.00 65.45 O ATOM 746 CB ALA A 50 35.903 -7.382 -3.805 1.00 22.44 C ATOM 0 H ALA A 50 34.069 -7.848 -5.420 1.00 63.11 H new ATOM 0 HA ALA A 50 34.346 -8.065 -2.526 1.00 4.40 H new ATOM 0 HB1 ALA A 50 36.497 -6.990 -2.980 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.239 -8.390 -4.047 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.025 -6.740 -4.677 1.00 22.44 H new ATOM 752 N ALA A 51 33.105 -5.467 -3.900 1.00 22.13 N ATOM 753 CA ALA A 51 32.527 -4.155 -3.658 1.00 24.51 C ATOM 754 C ALA A 51 31.278 -4.305 -2.788 1.00 32.14 C ATOM 755 O ALA A 51 31.204 -3.737 -1.700 1.00 53.32 O ATOM 756 CB ALA A 51 32.228 -3.475 -4.996 1.00 73.13 C ATOM 0 H ALA A 51 32.850 -5.887 -4.794 1.00 22.13 H new ATOM 0 HA ALA A 51 33.229 -3.519 -3.119 1.00 24.51 H new ATOM 0 HB1 ALA A 51 31.795 -2.491 -4.815 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.152 -3.366 -5.563 1.00 73.13 H new ATOM 0 HB3 ALA A 51 31.524 -4.083 -5.564 1.00 73.13 H new ATOM 762 N ASN A 52 30.327 -5.072 -3.301 1.00 72.12 N ATOM 763 CA ASN A 52 29.084 -5.303 -2.584 1.00 72.03 C ATOM 764 C ASN A 52 29.396 -5.914 -1.217 1.00 44.33 C ATOM 765 O ASN A 52 28.745 -5.589 -0.224 1.00 21.23 O ATOM 766 CB ASN A 52 28.183 -6.278 -3.344 1.00 71.24 C ATOM 767 CG ASN A 52 26.716 -6.089 -2.953 1.00 1.21 C ATOM 768 OD1 ASN A 52 25.904 -5.590 -3.712 1.00 10.34 O ATOM 769 ND2 ASN A 52 26.425 -6.514 -1.726 1.00 51.41 N ATOM 0 H ASN A 52 30.392 -5.541 -4.204 1.00 72.12 H new ATOM 0 HA ASN A 52 28.572 -4.347 -2.479 1.00 72.03 H new ATOM 0 HB2 ASN A 52 28.299 -6.125 -4.417 1.00 71.24 H new ATOM 0 HB3 ASN A 52 28.490 -7.302 -3.133 1.00 71.24 H new ATOM 0 HD21 ASN A 52 25.473 -6.431 -1.370 1.00 51.41 H new ATOM 0 HD22 ASN A 52 27.154 -6.923 -1.142 1.00 51.41 H new ATOM 776 N LYS A 53 30.390 -6.790 -1.208 1.00 31.33 N ATOM 777 CA LYS A 53 30.796 -7.449 0.021 1.00 23.25 C ATOM 778 C LYS A 53 31.379 -6.412 0.983 1.00 40.10 C ATOM 779 O LYS A 53 31.252 -6.549 2.199 1.00 44.44 O ATOM 780 CB LYS A 53 31.747 -8.610 -0.282 1.00 41.40 C ATOM 781 CG LYS A 53 31.924 -9.508 0.944 1.00 75.03 C ATOM 782 CD LYS A 53 33.260 -10.252 0.890 1.00 74.12 C ATOM 783 CE LYS A 53 33.258 -11.451 1.841 1.00 55.52 C ATOM 784 NZ LYS A 53 32.045 -12.273 1.636 1.00 13.54 N1+ ATOM 0 H LYS A 53 30.926 -7.059 -2.033 1.00 31.33 H new ATOM 0 HA LYS A 53 29.933 -7.894 0.517 1.00 23.25 H new ATOM 0 HB2 LYS A 53 31.357 -9.197 -1.114 1.00 41.40 H new ATOM 0 HB3 LYS A 53 32.716 -8.219 -0.594 1.00 41.40 H new ATOM 0 HG2 LYS A 53 31.876 -8.905 1.851 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.105 -10.226 0.995 1.00 75.03 H new ATOM 0 HD2 LYS A 53 33.451 -10.591 -0.128 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.070 -9.573 1.157 1.00 74.12 H new ATOM 0 HE2 LYS A 53 34.148 -12.057 1.673 1.00 55.52 H new ATOM 0 HE3 LYS A 53 33.299 -11.104 2.873 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 32.257 -13.266 1.859 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 31.285 -11.932 2.259 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 31.739 -12.199 0.645 1.00 13.54 H new ATOM 797 N ASN A 54 32.003 -5.398 0.403 1.00 32.11 N ATOM 798 CA ASN A 54 32.606 -4.339 1.195 1.00 62.53 C ATOM 799 C ASN A 54 31.579 -3.227 1.413 1.00 21.52 C ATOM 800 O ASN A 54 31.936 -2.113 1.795 1.00 54.24 O ATOM 801 CB ASN A 54 33.812 -3.734 0.476 1.00 4.13 C ATOM 802 CG ASN A 54 35.044 -4.628 0.624 1.00 23.22 C ATOM 803 OD1 ASN A 54 36.161 -4.169 0.798 1.00 64.31 O ATOM 804 ND2 ASN A 54 34.780 -5.930 0.546 1.00 31.23 N ATOM 0 H ASN A 54 32.104 -5.287 -0.606 1.00 32.11 H new ATOM 0 HA ASN A 54 32.930 -4.768 2.144 1.00 62.53 H new ATOM 0 HB2 ASN A 54 33.580 -3.600 -0.581 1.00 4.13 H new ATOM 0 HB3 ASN A 54 34.025 -2.746 0.883 1.00 4.13 H new ATOM 0 HD21 ASN A 54 35.536 -6.610 0.633 1.00 31.23 H new ATOM 0 HD22 ASN A 54 33.822 -6.248 0.399 1.00 31.23 H new ATOM 811 N LYS A 55 30.323 -3.566 1.163 1.00 3.10 N ATOM 812 CA LYS A 55 29.241 -2.609 1.328 1.00 52.01 C ATOM 813 C LYS A 55 28.500 -2.904 2.633 1.00 71.13 C ATOM 814 O LYS A 55 27.272 -2.979 2.651 1.00 34.34 O ATOM 815 CB LYS A 55 28.337 -2.605 0.095 1.00 61.43 C ATOM 816 CG LYS A 55 27.472 -1.344 0.053 1.00 35.11 C ATOM 817 CD LYS A 55 28.279 -0.142 -0.442 1.00 31.33 C ATOM 818 CE LYS A 55 27.740 1.162 0.150 1.00 31.13 C ATOM 819 NZ LYS A 55 28.392 1.452 1.447 1.00 40.52 N1+ ATOM 0 H LYS A 55 30.030 -4.490 0.847 1.00 3.10 H new ATOM 0 HA LYS A 55 29.637 -1.596 1.408 1.00 52.01 H new ATOM 0 HB2 LYS A 55 28.946 -2.663 -0.807 1.00 61.43 H new ATOM 0 HB3 LYS A 55 27.698 -3.488 0.105 1.00 61.43 H new ATOM 0 HG2 LYS A 55 26.617 -1.507 -0.603 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.077 -1.137 1.047 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.327 -0.265 -0.167 1.00 31.33 H new ATOM 0 HD3 LYS A 55 28.238 -0.096 -1.530 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.917 1.984 -0.544 1.00 31.13 H new ATOM 0 HE3 LYS A 55 26.661 1.087 0.287 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 27.944 2.283 1.883 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 28.289 0.632 2.078 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 29.402 1.645 1.292 1.00 40.52 H new ATOM 832 N GLY A 56 29.277 -3.065 3.695 1.00 14.34 N ATOM 833 CA GLY A 56 28.709 -3.350 5.001 1.00 1.53 C ATOM 834 C GLY A 56 27.708 -2.269 5.412 1.00 71.44 C ATOM 835 O GLY A 56 28.064 -1.321 6.111 1.00 74.10 O ATOM 0 H GLY A 56 30.295 -3.003 3.677 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.214 -4.321 4.982 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.506 -3.413 5.742 1.00 1.53 H new ATOM 839 N ILE A 57 26.475 -2.447 4.960 1.00 74.01 N ATOM 840 CA ILE A 57 25.420 -1.498 5.274 1.00 43.32 C ATOM 841 C ILE A 57 24.076 -2.229 5.308 1.00 62.24 C ATOM 842 O ILE A 57 23.804 -3.077 4.459 1.00 3.42 O ATOM 843 CB ILE A 57 25.453 -0.320 4.298 1.00 40.53 C ATOM 844 CG1 ILE A 57 25.062 -0.764 2.887 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.816 0.375 4.323 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.551 -0.657 2.677 1.00 32.33 C ATOM 0 H ILE A 57 26.183 -3.233 4.380 1.00 74.01 H new ATOM 0 HA ILE A 57 25.576 -1.069 6.264 1.00 43.32 H new ATOM 0 HB ILE A 57 24.712 0.411 4.622 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.579 -0.148 2.152 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.383 -1.793 2.724 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.812 1.208 3.620 1.00 3.00 H new ATOM 0 HG22 ILE A 57 27.016 0.748 5.327 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.592 -0.336 4.039 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.300 -0.979 1.666 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.038 -1.293 3.398 1.00 32.33 H new ATOM 0 HD13 ILE A 57 23.237 0.377 2.817 1.00 32.33 H new ATOM 858 N ILE A 58 23.272 -1.876 6.300 1.00 34.44 N ATOM 859 CA ILE A 58 21.963 -2.488 6.456 1.00 71.13 C ATOM 860 C ILE A 58 21.038 -1.997 5.342 1.00 61.15 C ATOM 861 O ILE A 58 21.009 -0.806 5.035 1.00 1.32 O ATOM 862 CB ILE A 58 21.419 -2.235 7.864 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.356 -2.814 8.927 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.993 -2.771 8.004 1.00 13.54 C ATOM 865 CD1 ILE A 58 22.115 -4.314 9.111 1.00 42.52 C ATOM 0 H ILE A 58 23.501 -1.174 7.004 1.00 34.44 H new ATOM 0 HA ILE A 58 22.034 -3.571 6.356 1.00 71.13 H new ATOM 0 HB ILE A 58 21.376 -1.158 8.025 1.00 10.41 H new ATOM 0 HG12 ILE A 58 23.392 -2.641 8.637 1.00 53.34 H new ATOM 0 HG13 ILE A 58 22.200 -2.298 9.874 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.630 -2.579 9.013 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.344 -2.272 7.284 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.988 -3.844 7.815 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.793 -4.701 9.872 1.00 42.52 H new ATOM 0 HD12 ILE A 58 21.085 -4.481 9.425 1.00 42.52 H new ATOM 0 HD13 ILE A 58 22.295 -4.830 8.168 1.00 42.52 H new ATOM 877 N TRP A 59 20.304 -2.939 4.767 1.00 12.43 N ATOM 878 CA TRP A 59 19.380 -2.617 3.693 1.00 31.13 C ATOM 879 C TRP A 59 18.143 -1.966 4.314 1.00 62.44 C ATOM 880 O TRP A 59 17.929 -2.056 5.521 1.00 4.32 O ATOM 881 CB TRP A 59 19.051 -3.858 2.862 1.00 3.14 C ATOM 882 CG TRP A 59 20.143 -4.247 1.864 1.00 60.14 C ATOM 883 CD1 TRP A 59 20.801 -5.411 1.773 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.682 -3.419 0.812 1.00 22.32 C ATOM 885 NE1 TRP A 59 21.720 -5.394 0.743 1.00 43.14 N ATOM 886 CE2 TRP A 59 21.645 -4.143 0.141 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.365 -2.100 0.441 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.371 -3.634 -0.942 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.099 -1.606 -0.644 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.073 -2.322 -1.331 1.00 62.15 C ATOM 0 H TRP A 59 20.331 -3.925 5.025 1.00 12.43 H new ATOM 0 HA TRP A 59 19.830 -1.912 2.994 1.00 31.13 H new ATOM 0 HB2 TRP A 59 18.873 -4.697 3.535 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.122 -3.683 2.319 1.00 3.14 H new ATOM 0 HD1 TRP A 59 20.633 -6.256 2.424 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.340 -6.158 0.473 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.615 -1.515 0.952 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.121 -4.222 -1.451 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.894 -0.597 -0.971 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.597 -1.869 -2.160 1.00 62.15 H new ATOM 901 N GLY A 60 17.359 -1.325 3.459 1.00 60.12 N ATOM 902 CA GLY A 60 16.148 -0.661 3.908 1.00 61.54 C ATOM 903 C GLY A 60 15.549 0.200 2.793 1.00 2.44 C ATOM 904 O GLY A 60 16.134 0.324 1.718 1.00 64.10 O ATOM 0 H GLY A 60 17.539 -1.252 2.458 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.419 -1.405 4.229 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.370 -0.038 4.774 1.00 61.54 H new ATOM 908 N GLU A 61 14.391 0.773 3.089 1.00 1.02 N ATOM 909 CA GLU A 61 13.707 1.619 2.126 1.00 43.51 C ATOM 910 C GLU A 61 14.584 2.815 1.753 1.00 54.24 C ATOM 911 O GLU A 61 14.520 3.310 0.628 1.00 64.13 O ATOM 912 CB GLU A 61 12.351 2.078 2.664 1.00 4.31 C ATOM 913 CG GLU A 61 11.372 0.907 2.757 1.00 42.02 C ATOM 914 CD GLU A 61 9.950 1.400 3.034 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.121 1.452 2.114 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.719 1.738 4.258 1.00 53.22 O1- ATOM 0 H GLU A 61 13.910 0.668 3.982 1.00 1.02 H new ATOM 0 HA GLU A 61 13.523 1.034 1.225 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.480 2.528 3.649 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.940 2.849 2.013 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.389 0.340 1.826 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.686 0.228 3.550 1.00 42.02 H new ATOM 924 N ASP A 62 15.382 3.247 2.718 1.00 41.03 N ATOM 925 CA ASP A 62 16.269 4.378 2.507 1.00 11.04 C ATOM 926 C ASP A 62 17.427 3.948 1.603 1.00 64.11 C ATOM 927 O ASP A 62 17.569 4.448 0.489 1.00 4.51 O ATOM 928 CB ASP A 62 16.860 4.870 3.829 1.00 52.14 C ATOM 929 CG ASP A 62 15.862 5.551 4.769 1.00 62.42 C ATOM 930 OD1 ASP A 62 15.241 4.899 5.620 1.00 35.04 O ATOM 931 OD2 ASP A 62 15.732 6.822 4.597 1.00 62.51 O1- ATOM 0 H ASP A 62 15.433 2.834 3.649 1.00 41.03 H new ATOM 0 HA ASP A 62 15.690 5.181 2.051 1.00 11.04 H new ATOM 0 HB2 ASP A 62 17.305 4.022 4.349 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.667 5.570 3.611 1.00 52.14 H new ATOM 937 N THR A 63 18.227 3.025 2.118 1.00 73.22 N ATOM 938 CA THR A 63 19.368 2.522 1.372 1.00 3.24 C ATOM 939 C THR A 63 18.924 2.012 -0.001 1.00 11.02 C ATOM 940 O THR A 63 19.695 2.052 -0.959 1.00 1.20 O ATOM 941 CB THR A 63 20.055 1.454 2.224 1.00 40.22 C ATOM 942 OG1 THR A 63 19.097 0.402 2.303 1.00 4.21 O ATOM 943 CG2 THR A 63 20.245 1.895 3.676 1.00 44.33 C ATOM 0 H THR A 63 18.107 2.613 3.043 1.00 73.22 H new ATOM 0 HA THR A 63 20.091 3.313 1.172 1.00 3.24 H new ATOM 0 HB THR A 63 21.025 1.212 1.789 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.368 0.668 2.901 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.737 1.100 4.236 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.860 2.794 3.706 1.00 44.33 H new ATOM 0 HG23 THR A 63 19.273 2.106 4.122 1.00 44.33 H new ATOM 951 N LEU A 64 17.685 1.547 -0.052 1.00 10.45 N ATOM 952 CA LEU A 64 17.130 1.030 -1.292 1.00 43.40 C ATOM 953 C LEU A 64 16.783 2.199 -2.216 1.00 72.41 C ATOM 954 O LEU A 64 17.123 2.183 -3.398 1.00 42.34 O ATOM 955 CB LEU A 64 15.950 0.101 -1.004 1.00 75.52 C ATOM 956 CG LEU A 64 16.302 -1.278 -0.444 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.131 -1.865 0.346 1.00 31.02 C ATOM 958 CD2 LEU A 64 16.770 -2.218 -1.557 1.00 20.25 C ATOM 0 H LEU A 64 17.049 1.517 0.745 1.00 10.45 H new ATOM 0 HA LEU A 64 17.866 0.419 -1.814 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.285 0.599 -0.298 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.388 -0.037 -1.928 1.00 75.52 H new ATOM 0 HG LEU A 64 17.133 -1.162 0.251 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.408 -2.846 0.733 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.885 -1.204 1.177 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.265 -1.965 -0.308 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.014 -3.192 -1.132 1.00 20.25 H new ATOM 0 HD22 LEU A 64 15.976 -2.333 -2.294 1.00 20.25 H new ATOM 0 HD23 LEU A 64 17.654 -1.800 -2.038 1.00 20.25 H new ATOM 970 N MET A 65 16.110 3.185 -1.643 1.00 14.04 N ATOM 971 CA MET A 65 15.712 4.360 -2.400 1.00 64.51 C ATOM 972 C MET A 65 16.866 4.869 -3.266 1.00 44.11 C ATOM 973 O MET A 65 16.740 4.954 -4.486 1.00 35.15 O ATOM 974 CB MET A 65 15.270 5.463 -1.437 1.00 75.32 C ATOM 975 CG MET A 65 13.766 5.383 -1.165 1.00 12.54 C ATOM 976 SD MET A 65 12.866 6.216 -2.462 1.00 72.52 S ATOM 977 CE MET A 65 11.767 4.904 -2.968 1.00 71.41 C ATOM 0 H MET A 65 15.830 3.195 -0.662 1.00 14.04 H new ATOM 0 HA MET A 65 14.885 4.085 -3.054 1.00 64.51 H new ATOM 0 HB2 MET A 65 15.818 5.373 -0.499 1.00 75.32 H new ATOM 0 HB3 MET A 65 15.516 6.438 -1.858 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.454 4.340 -1.106 1.00 12.54 H new ATOM 0 HG3 MET A 65 13.538 5.839 -0.202 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.282 5.177 -3.905 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.337 3.986 -3.108 1.00 71.41 H new ATOM 0 HE3 MET A 65 11.010 4.747 -2.200 1.00 71.41 H new ATOM 987 N GLU A 66 17.964 5.196 -2.600 1.00 20.23 N ATOM 988 CA GLU A 66 19.139 5.696 -3.294 1.00 4.35 C ATOM 989 C GLU A 66 19.744 4.598 -4.171 1.00 12.41 C ATOM 990 O GLU A 66 19.849 4.756 -5.386 1.00 31.41 O ATOM 991 CB GLU A 66 20.171 6.239 -2.303 1.00 2.12 C ATOM 992 CG GLU A 66 21.381 6.820 -3.036 1.00 74.21 C ATOM 993 CD GLU A 66 21.489 8.329 -2.805 1.00 11.01 C ATOM 994 OE1 GLU A 66 20.588 9.083 -3.199 1.00 62.03 O ATOM 995 OE2 GLU A 66 22.557 8.711 -2.188 1.00 61.41 O1- ATOM 0 H GLU A 66 18.065 5.124 -1.588 1.00 20.23 H new ATOM 0 HA GLU A 66 18.834 6.521 -3.938 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.714 7.009 -1.681 1.00 2.12 H new ATOM 0 HB3 GLU A 66 20.495 5.441 -1.635 1.00 2.12 H new ATOM 0 HG2 GLU A 66 22.291 6.329 -2.690 1.00 74.21 H new ATOM 0 HG3 GLU A 66 21.296 6.617 -4.104 1.00 74.21 H new ATOM 1003 N TYR A 67 20.127 3.509 -3.520 1.00 2.54 N ATOM 1004 CA TYR A 67 20.720 2.386 -4.225 1.00 70.14 C ATOM 1005 C TYR A 67 19.993 2.122 -5.544 1.00 15.44 C ATOM 1006 O TYR A 67 20.601 1.664 -6.511 1.00 20.34 O ATOM 1007 CB TYR A 67 20.545 1.173 -3.308 1.00 71.01 C ATOM 1008 CG TYR A 67 20.886 -0.163 -3.972 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.196 -0.465 -4.281 1.00 73.53 C ATOM 1010 CD2 TYR A 67 19.882 -1.066 -4.261 1.00 25.24 C ATOM 1011 CE1 TYR A 67 22.516 -1.722 -4.906 1.00 50.13 C ATOM 1012 CE2 TYR A 67 20.203 -2.322 -4.885 1.00 12.44 C ATOM 1013 CZ TYR A 67 21.505 -2.589 -5.177 1.00 70.00 C ATOM 1014 OH TYR A 67 21.807 -3.777 -5.766 1.00 1.15 O ATOM 0 H TYR A 67 20.038 3.381 -2.512 1.00 2.54 H new ATOM 0 HA TYR A 67 21.766 2.587 -4.457 1.00 70.14 H new ATOM 0 HB2 TYR A 67 21.176 1.301 -2.428 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.513 1.140 -2.958 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.981 0.241 -4.054 1.00 73.53 H new ATOM 0 HD2 TYR A 67 18.856 -0.830 -4.019 1.00 25.24 H new ATOM 0 HE1 TYR A 67 23.537 -1.971 -5.154 1.00 50.13 H new ATOM 0 HE2 TYR A 67 19.428 -3.037 -5.117 1.00 12.44 H new ATOM 0 HH TYR A 67 20.985 -4.295 -5.899 1.00 1.15 H new ATOM 1024 N LEU A 68 18.703 2.422 -5.543 1.00 3.24 N ATOM 1025 CA LEU A 68 17.886 2.223 -6.729 1.00 35.25 C ATOM 1026 C LEU A 68 18.114 3.383 -7.700 1.00 53.11 C ATOM 1027 O LEU A 68 18.316 3.168 -8.894 1.00 15.43 O ATOM 1028 CB LEU A 68 16.420 2.023 -6.342 1.00 63.11 C ATOM 1029 CG LEU A 68 16.063 0.660 -5.748 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.868 0.771 -4.798 1.00 12.31 C ATOM 1031 CD2 LEU A 68 15.823 -0.374 -6.851 1.00 71.44 C ATOM 0 H LEU A 68 18.202 2.802 -4.739 1.00 3.24 H new ATOM 0 HA LEU A 68 18.182 1.311 -7.247 1.00 35.25 H new ATOM 0 HB2 LEU A 68 16.147 2.794 -5.621 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.806 2.183 -7.228 1.00 63.11 H new ATOM 0 HG LEU A 68 16.912 0.312 -5.159 1.00 65.23 H new ATOM 0 HD11 LEU A 68 14.635 -0.212 -4.390 1.00 12.31 H new ATOM 0 HD12 LEU A 68 15.113 1.453 -3.984 1.00 12.31 H new ATOM 0 HD13 LEU A 68 14.004 1.151 -5.343 1.00 12.31 H new ATOM 0 HD21 LEU A 68 15.571 -1.334 -6.401 1.00 71.44 H new ATOM 0 HD22 LEU A 68 15.001 -0.044 -7.486 1.00 71.44 H new ATOM 0 HD23 LEU A 68 16.726 -0.481 -7.452 1.00 71.44 H new ATOM 1043 N GLU A 69 18.074 4.588 -7.152 1.00 15.25 N ATOM 1044 CA GLU A 69 18.273 5.783 -7.954 1.00 72.12 C ATOM 1045 C GLU A 69 19.530 5.640 -8.814 1.00 22.31 C ATOM 1046 O GLU A 69 19.615 6.218 -9.897 1.00 70.33 O ATOM 1047 CB GLU A 69 18.352 7.030 -7.072 1.00 51.12 C ATOM 1048 CG GLU A 69 18.607 8.283 -7.913 1.00 33.34 C ATOM 1049 CD GLU A 69 18.205 9.546 -7.151 1.00 54.43 C ATOM 1050 OE1 GLU A 69 17.286 9.503 -6.319 1.00 2.44 O ATOM 1051 OE2 GLU A 69 18.885 10.601 -7.448 1.00 3.24 O1- ATOM 0 H GLU A 69 17.907 4.763 -6.161 1.00 15.25 H new ATOM 0 HA GLU A 69 17.414 5.900 -8.615 1.00 72.12 H new ATOM 0 HB2 GLU A 69 17.422 7.145 -6.515 1.00 51.12 H new ATOM 0 HB3 GLU A 69 19.150 6.911 -6.339 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.662 8.336 -8.182 1.00 33.34 H new ATOM 0 HG3 GLU A 69 18.044 8.221 -8.844 1.00 33.34 H new ATOM 1059 N ASN A 70 20.476 4.866 -8.301 1.00 1.34 N ATOM 1060 CA ASN A 70 21.724 4.641 -9.010 1.00 62.35 C ATOM 1061 C ASN A 70 22.548 3.591 -8.261 1.00 55.43 C ATOM 1062 O ASN A 70 23.340 3.929 -7.382 1.00 45.53 O ATOM 1063 CB ASN A 70 22.553 5.925 -9.087 1.00 44.13 C ATOM 1064 CG ASN A 70 22.189 6.739 -10.330 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.972 6.211 -11.408 1.00 35.54 O ATOM 1066 ND2 ASN A 70 22.132 8.050 -10.119 1.00 0.54 N ATOM 0 H ASN A 70 20.403 4.387 -7.403 1.00 1.34 H new ATOM 0 HA ASN A 70 21.483 4.306 -10.019 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.384 6.525 -8.193 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.614 5.676 -9.109 1.00 44.13 H new ATOM 0 HD21 ASN A 70 21.895 8.680 -10.885 1.00 0.54 H new ATOM 0 HD22 ASN A 70 22.325 8.426 -9.191 1.00 0.54 H new ATOM 1073 N PRO A 71 22.326 2.305 -8.645 1.00 54.04 N ATOM 1074 CA PRO A 71 23.037 1.204 -8.020 1.00 32.44 C ATOM 1075 C PRO A 71 24.485 1.137 -8.511 1.00 41.31 C ATOM 1076 O PRO A 71 25.272 0.325 -8.027 1.00 74.34 O ATOM 1077 CB PRO A 71 22.233 -0.036 -8.374 1.00 13.22 C ATOM 1078 CG PRO A 71 21.368 0.353 -9.561 1.00 74.42 C ATOM 1079 CD PRO A 71 21.395 1.868 -9.681 1.00 62.30 C ATOM 0 HA PRO A 71 23.117 1.316 -6.939 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.890 -0.869 -8.626 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.619 -0.357 -7.532 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.743 -0.109 -10.474 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.347 -0.001 -9.421 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.728 2.181 -10.670 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.404 2.295 -9.529 1.00 62.30 H new ATOM 1087 N LYS A 72 24.793 2.002 -9.466 1.00 40.44 N ATOM 1088 CA LYS A 72 26.132 2.052 -10.028 1.00 22.32 C ATOM 1089 C LYS A 72 26.984 3.031 -9.219 1.00 63.53 C ATOM 1090 O LYS A 72 28.211 2.990 -9.282 1.00 45.42 O ATOM 1091 CB LYS A 72 26.074 2.377 -11.522 1.00 54.30 C ATOM 1092 CG LYS A 72 27.391 2.018 -12.213 1.00 41.01 C ATOM 1093 CD LYS A 72 27.442 0.528 -12.558 1.00 72.43 C ATOM 1094 CE LYS A 72 26.591 0.223 -13.792 1.00 51.53 C ATOM 1095 NZ LYS A 72 27.057 -1.020 -14.448 1.00 51.14 N1+ ATOM 0 H LYS A 72 24.138 2.674 -9.865 1.00 40.44 H new ATOM 0 HA LYS A 72 26.612 1.076 -9.956 1.00 22.32 H new ATOM 0 HB2 LYS A 72 25.255 1.828 -11.986 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.865 3.438 -11.659 1.00 54.30 H new ATOM 0 HG2 LYS A 72 27.502 2.609 -13.122 1.00 41.01 H new ATOM 0 HG3 LYS A 72 28.228 2.273 -11.563 1.00 41.01 H new ATOM 0 HD2 LYS A 72 28.474 0.228 -12.740 1.00 72.43 H new ATOM 0 HD3 LYS A 72 27.084 -0.058 -11.711 1.00 72.43 H new ATOM 0 HE2 LYS A 72 25.545 0.119 -13.503 1.00 51.53 H new ATOM 0 HE3 LYS A 72 26.647 1.055 -14.494 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 26.469 -1.213 -15.284 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 28.049 -0.907 -14.741 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 26.981 -1.814 -13.781 1.00 51.14 H new ATOM 1108 N LYS A 73 26.299 3.889 -8.476 1.00 4.23 N ATOM 1109 CA LYS A 73 26.977 4.877 -7.656 1.00 34.14 C ATOM 1110 C LYS A 73 27.046 4.374 -6.212 1.00 2.10 C ATOM 1111 O LYS A 73 27.920 4.783 -5.450 1.00 35.44 O ATOM 1112 CB LYS A 73 26.307 6.245 -7.799 1.00 1.20 C ATOM 1113 CG LYS A 73 26.767 6.951 -9.076 1.00 32.13 C ATOM 1114 CD LYS A 73 26.806 5.978 -10.256 1.00 55.50 C ATOM 1115 CE LYS A 73 27.000 6.726 -11.577 1.00 5.11 C ATOM 1116 NZ LYS A 73 25.693 7.138 -12.136 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.281 3.920 -8.425 1.00 4.23 H new ATOM 0 HA LYS A 73 28.003 5.014 -7.996 1.00 34.14 H new ATOM 0 HB2 LYS A 73 25.224 6.123 -7.817 1.00 1.20 H new ATOM 0 HB3 LYS A 73 26.544 6.862 -6.933 1.00 1.20 H new ATOM 0 HG2 LYS A 73 26.092 7.777 -9.303 1.00 32.13 H new ATOM 0 HG3 LYS A 73 27.757 7.381 -8.922 1.00 32.13 H new ATOM 0 HD2 LYS A 73 27.617 5.263 -10.116 1.00 55.50 H new ATOM 0 HD3 LYS A 73 25.879 5.405 -10.291 1.00 55.50 H new ATOM 0 HE2 LYS A 73 27.626 7.603 -11.416 1.00 5.11 H new ATOM 0 HE3 LYS A 73 27.522 6.088 -12.290 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 25.843 7.644 -13.032 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 25.108 6.296 -12.308 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 25.209 7.764 -11.461 1.00 51.34 H new ATOM 1129 N TYR A 74 26.113 3.494 -5.881 1.00 21.02 N ATOM 1130 CA TYR A 74 26.057 2.931 -4.543 1.00 11.41 C ATOM 1131 C TYR A 74 27.027 1.756 -4.402 1.00 42.23 C ATOM 1132 O TYR A 74 27.574 1.524 -3.324 1.00 73.43 O ATOM 1133 CB TYR A 74 24.627 2.420 -4.360 1.00 34.24 C ATOM 1134 CG TYR A 74 24.179 2.335 -2.899 1.00 13.51 C ATOM 1135 CD1 TYR A 74 24.673 1.339 -2.083 1.00 0.20 C ATOM 1136 CD2 TYR A 74 23.279 3.255 -2.399 1.00 55.13 C ATOM 1137 CE1 TYR A 74 24.251 1.259 -0.708 1.00 65.02 C ATOM 1138 CE2 TYR A 74 22.857 3.175 -1.024 1.00 30.14 C ATOM 1139 CZ TYR A 74 23.364 2.180 -0.247 1.00 60.53 C ATOM 1140 OH TYR A 74 22.965 2.105 1.051 1.00 63.13 O ATOM 0 H TYR A 74 25.390 3.157 -6.516 1.00 21.02 H new ATOM 0 HA TYR A 74 26.332 3.680 -3.800 1.00 11.41 H new ATOM 0 HB2 TYR A 74 23.945 3.077 -4.901 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.544 1.432 -4.813 1.00 34.24 H new ATOM 0 HD1 TYR A 74 25.376 0.619 -2.475 1.00 0.20 H new ATOM 0 HD2 TYR A 74 22.892 4.034 -3.039 1.00 55.13 H new ATOM 0 HE1 TYR A 74 24.631 0.485 -0.058 1.00 65.02 H new ATOM 0 HE2 TYR A 74 22.154 3.888 -0.619 1.00 30.14 H new ATOM 0 HH TYR A 74 22.331 2.828 1.241 1.00 63.13 H new ATOM 1150 N ILE A 75 27.210 1.045 -5.504 1.00 35.22 N ATOM 1151 CA ILE A 75 28.105 -0.100 -5.517 1.00 2.31 C ATOM 1152 C ILE A 75 28.901 -0.106 -6.823 1.00 30.40 C ATOM 1153 O ILE A 75 28.480 -0.712 -7.808 1.00 3.45 O ATOM 1154 CB ILE A 75 27.324 -1.392 -5.266 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.290 -1.202 -4.155 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.272 -2.557 -4.974 1.00 52.55 C ATOM 1157 CD1 ILE A 75 25.772 -2.550 -3.651 1.00 1.01 C ATOM 0 H ILE A 75 26.754 1.239 -6.395 1.00 35.22 H new ATOM 0 HA ILE A 75 28.828 -0.028 -4.704 1.00 2.31 H new ATOM 0 HB ILE A 75 26.776 -1.642 -6.175 1.00 64.10 H new ATOM 0 HG12 ILE A 75 26.736 -0.648 -3.329 1.00 71.04 H new ATOM 0 HG13 ILE A 75 25.458 -0.604 -4.527 1.00 71.04 H new ATOM 0 HG21 ILE A 75 27.692 -3.463 -4.799 1.00 52.55 H new ATOM 0 HG22 ILE A 75 28.935 -2.709 -5.826 1.00 52.55 H new ATOM 0 HG23 ILE A 75 28.866 -2.330 -4.089 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.038 -2.386 -2.862 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.305 -3.091 -4.474 1.00 1.01 H new ATOM 0 HD13 ILE A 75 26.603 -3.135 -3.258 1.00 1.01 H new ATOM 1169 N PRO A 76 30.067 0.593 -6.789 1.00 75.43 N ATOM 1170 CA PRO A 76 30.926 0.674 -7.958 1.00 60.41 C ATOM 1171 C PRO A 76 31.680 -0.639 -8.177 1.00 71.21 C ATOM 1172 O PRO A 76 32.401 -1.098 -7.293 1.00 23.43 O ATOM 1173 CB PRO A 76 31.848 1.852 -7.687 1.00 52.32 C ATOM 1174 CG PRO A 76 31.786 2.094 -6.189 1.00 32.44 C ATOM 1175 CD PRO A 76 30.596 1.323 -5.641 1.00 2.31 C ATOM 0 HA PRO A 76 30.367 0.827 -8.881 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.867 1.632 -8.005 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.526 2.735 -8.239 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.708 1.764 -5.711 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.681 3.158 -5.978 1.00 32.44 H new ATOM 0 HD2 PRO A 76 30.898 0.643 -4.844 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.848 1.995 -5.220 1.00 2.31 H new ATOM 1183 N GLY A 77 31.486 -1.205 -9.359 1.00 41.14 N ATOM 1184 CA GLY A 77 32.139 -2.457 -9.705 1.00 61.20 C ATOM 1185 C GLY A 77 31.245 -3.653 -9.370 1.00 2.42 C ATOM 1186 O GLY A 77 31.740 -4.729 -9.041 1.00 31.14 O ATOM 0 H GLY A 77 30.886 -0.820 -10.089 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.379 -2.464 -10.768 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.082 -2.541 -9.165 1.00 61.20 H new ATOM 1190 N THR A 78 29.944 -3.422 -9.464 1.00 45.32 N ATOM 1191 CA THR A 78 28.976 -4.468 -9.174 1.00 52.32 C ATOM 1192 C THR A 78 28.485 -5.114 -10.472 1.00 15.00 C ATOM 1193 O THR A 78 28.705 -4.579 -11.557 1.00 74.51 O ATOM 1194 CB THR A 78 27.853 -3.853 -8.338 1.00 44.04 C ATOM 1195 OG1 THR A 78 26.992 -4.952 -8.052 1.00 51.42 O ATOM 1196 CG2 THR A 78 26.977 -2.895 -9.148 1.00 71.52 C ATOM 0 H THR A 78 29.537 -2.527 -9.736 1.00 45.32 H new ATOM 0 HA THR A 78 29.426 -5.275 -8.596 1.00 52.32 H new ATOM 0 HB THR A 78 28.282 -3.322 -7.488 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.236 -4.643 -7.511 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.196 -2.486 -8.507 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.590 -2.082 -9.536 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.520 -3.434 -9.978 1.00 71.52 H new ATOM 1204 N LYS A 79 27.830 -6.254 -10.315 1.00 35.35 N ATOM 1205 CA LYS A 79 27.306 -6.978 -11.460 1.00 23.13 C ATOM 1206 C LYS A 79 25.962 -6.373 -11.870 1.00 32.14 C ATOM 1207 O LYS A 79 25.499 -6.581 -12.990 1.00 61.34 O ATOM 1208 CB LYS A 79 27.239 -8.478 -11.162 1.00 4.04 C ATOM 1209 CG LYS A 79 28.490 -8.944 -10.413 1.00 33.42 C ATOM 1210 CD LYS A 79 28.699 -10.450 -10.581 1.00 24.30 C ATOM 1211 CE LYS A 79 29.580 -11.009 -9.461 1.00 10.21 C ATOM 1212 NZ LYS A 79 31.012 -10.867 -9.809 1.00 45.34 N1+ ATOM 0 H LYS A 79 27.650 -6.694 -9.413 1.00 35.35 H new ATOM 0 HA LYS A 79 27.976 -6.875 -12.313 1.00 23.13 H new ATOM 0 HB2 LYS A 79 26.352 -8.695 -10.567 1.00 4.04 H new ATOM 0 HB3 LYS A 79 27.141 -9.034 -12.094 1.00 4.04 H new ATOM 0 HG2 LYS A 79 29.363 -8.408 -10.786 1.00 33.42 H new ATOM 0 HG3 LYS A 79 28.396 -8.702 -9.354 1.00 33.42 H new ATOM 0 HD2 LYS A 79 27.734 -10.957 -10.577 1.00 24.30 H new ATOM 0 HD3 LYS A 79 29.161 -10.651 -11.547 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.372 -10.483 -8.529 1.00 10.21 H new ATOM 0 HE3 LYS A 79 29.343 -12.060 -9.293 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 31.593 -11.042 -8.965 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 31.259 -11.555 -10.548 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 31.190 -9.904 -10.159 1.00 45.34 H new ATOM 1225 N MET A 80 25.373 -5.636 -10.940 1.00 75.05 N ATOM 1226 CA MET A 80 24.092 -4.999 -11.190 1.00 44.10 C ATOM 1227 C MET A 80 24.099 -4.259 -12.529 1.00 15.21 C ATOM 1228 O MET A 80 24.719 -3.204 -12.656 1.00 11.50 O ATOM 1229 CB MET A 80 23.783 -4.012 -10.063 1.00 41.23 C ATOM 1230 CG MET A 80 23.579 -4.744 -8.734 1.00 12.33 C ATOM 1231 SD MET A 80 21.921 -5.398 -8.646 1.00 55.50 S ATOM 1232 CE MET A 80 20.989 -3.876 -8.606 1.00 4.13 C ATOM 0 H MET A 80 25.760 -5.466 -10.012 1.00 75.05 H new ATOM 0 HA MET A 80 23.325 -5.772 -11.228 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.600 -3.297 -9.967 1.00 41.23 H new ATOM 0 HB3 MET A 80 22.887 -3.442 -10.309 1.00 41.23 H new ATOM 0 HG2 MET A 80 24.303 -5.553 -8.640 1.00 12.33 H new ATOM 0 HG3 MET A 80 23.754 -4.061 -7.903 1.00 12.33 H new ATOM 0 HE1 MET A 80 20.132 -3.991 -7.942 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.625 -3.070 -8.241 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.640 -3.636 -9.611 1.00 4.13 H new ATOM 1242 N ILE A 81 23.403 -4.840 -13.495 1.00 73.13 N ATOM 1243 CA ILE A 81 23.322 -4.249 -14.819 1.00 63.41 C ATOM 1244 C ILE A 81 21.939 -3.623 -15.010 1.00 63.43 C ATOM 1245 O ILE A 81 21.011 -4.287 -15.468 1.00 21.32 O ATOM 1246 CB ILE A 81 23.683 -5.280 -15.890 1.00 65.11 C ATOM 1247 CG1 ILE A 81 25.200 -5.452 -15.996 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.051 -4.918 -17.235 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.559 -6.501 -17.051 1.00 64.30 C ATOM 0 H ILE A 81 22.890 -5.715 -13.387 1.00 73.13 H new ATOM 0 HA ILE A 81 24.053 -3.447 -14.923 1.00 63.41 H new ATOM 0 HB ILE A 81 23.270 -6.243 -15.590 1.00 65.11 H new ATOM 0 HG12 ILE A 81 25.661 -4.499 -16.254 1.00 3.45 H new ATOM 0 HG13 ILE A 81 25.605 -5.750 -15.029 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.324 -5.667 -17.978 1.00 43.10 H new ATOM 0 HG22 ILE A 81 21.966 -4.888 -17.131 1.00 43.10 H new ATOM 0 HG23 ILE A 81 23.412 -3.941 -17.555 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.643 -6.605 -17.107 1.00 64.30 H new ATOM 0 HD12 ILE A 81 25.117 -7.459 -16.777 1.00 64.30 H new ATOM 0 HD13 ILE A 81 25.174 -6.188 -18.021 1.00 64.30 H new ATOM 1261 N PHE A 82 21.845 -2.351 -14.648 1.00 51.30 N ATOM 1262 CA PHE A 82 20.591 -1.628 -14.774 1.00 2.04 C ATOM 1263 C PHE A 82 20.772 -0.151 -14.419 1.00 11.53 C ATOM 1264 O PHE A 82 21.592 0.191 -13.569 1.00 33.35 O ATOM 1265 CB PHE A 82 19.609 -2.261 -13.786 1.00 11.41 C ATOM 1266 CG PHE A 82 18.363 -1.415 -13.519 1.00 52.20 C ATOM 1267 CD1 PHE A 82 17.371 -1.353 -14.448 1.00 24.33 C ATOM 1268 CD2 PHE A 82 18.246 -0.724 -12.354 1.00 64.53 C ATOM 1269 CE1 PHE A 82 16.215 -0.568 -14.201 1.00 21.13 C ATOM 1270 CE2 PHE A 82 17.089 0.061 -12.106 1.00 62.32 C ATOM 1271 CZ PHE A 82 16.098 0.122 -13.035 1.00 52.30 C ATOM 0 H PHE A 82 22.617 -1.803 -14.268 1.00 51.30 H new ATOM 0 HA PHE A 82 20.230 -1.686 -15.801 1.00 2.04 H new ATOM 0 HB2 PHE A 82 19.300 -3.233 -14.169 1.00 11.41 H new ATOM 0 HB3 PHE A 82 20.124 -2.439 -12.842 1.00 11.41 H new ATOM 0 HD1 PHE A 82 17.463 -1.901 -15.374 1.00 24.33 H new ATOM 0 HD2 PHE A 82 19.034 -0.772 -11.617 1.00 64.53 H new ATOM 0 HE1 PHE A 82 15.428 -0.519 -14.939 1.00 21.13 H new ATOM 0 HE2 PHE A 82 16.996 0.609 -11.180 1.00 62.32 H new ATOM 0 HZ PHE A 82 15.218 0.719 -12.847 1.00 52.30 H new ATOM 1281 N VAL A 83 19.993 0.685 -15.089 1.00 11.14 N ATOM 1282 CA VAL A 83 20.057 2.118 -14.855 1.00 50.45 C ATOM 1283 C VAL A 83 19.001 2.509 -13.819 1.00 64.23 C ATOM 1284 O VAL A 83 17.864 2.043 -13.880 1.00 22.41 O ATOM 1285 CB VAL A 83 19.904 2.872 -16.179 1.00 72.20 C ATOM 1286 CG1 VAL A 83 21.069 2.565 -17.121 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.563 2.549 -16.841 1.00 22.20 C ATOM 0 H VAL A 83 19.314 0.398 -15.794 1.00 11.14 H new ATOM 0 HA VAL A 83 21.030 2.396 -14.449 1.00 50.45 H new ATOM 0 HB VAL A 83 19.921 3.940 -15.962 1.00 72.20 H new ATOM 0 HG11 VAL A 83 20.936 3.113 -18.054 1.00 12.30 H new ATOM 0 HG12 VAL A 83 22.005 2.868 -16.652 1.00 12.30 H new ATOM 0 HG13 VAL A 83 21.097 1.495 -17.329 1.00 12.30 H new ATOM 0 HG21 VAL A 83 18.479 3.097 -17.779 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.503 1.479 -17.039 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.750 2.841 -16.177 1.00 22.20 H new ATOM 1297 N GLY A 84 19.414 3.360 -12.893 1.00 42.12 N ATOM 1298 CA GLY A 84 18.519 3.820 -11.844 1.00 22.32 C ATOM 1299 C GLY A 84 17.153 4.201 -12.419 1.00 4.23 C ATOM 1300 O GLY A 84 17.031 4.472 -13.613 1.00 44.21 O ATOM 0 H GLY A 84 20.358 3.744 -12.846 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.397 3.037 -11.095 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.957 4.680 -11.338 1.00 22.32 H new ATOM 1304 N ILE A 85 16.160 4.210 -11.543 1.00 0.21 N ATOM 1305 CA ILE A 85 14.807 4.554 -11.947 1.00 22.34 C ATOM 1306 C ILE A 85 14.622 6.070 -11.855 1.00 73.43 C ATOM 1307 O ILE A 85 15.331 6.741 -11.106 1.00 55.21 O ATOM 1308 CB ILE A 85 13.785 3.759 -11.133 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.007 2.254 -11.295 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.356 4.169 -11.494 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.235 1.467 -10.234 1.00 71.13 C ATOM 0 H ILE A 85 16.265 3.984 -10.554 1.00 0.21 H new ATOM 0 HA ILE A 85 14.638 4.274 -12.987 1.00 22.34 H new ATOM 0 HB ILE A 85 13.931 3.995 -10.079 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.687 1.941 -12.289 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.071 2.029 -11.217 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.650 3.588 -10.901 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.218 5.230 -11.286 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.180 3.981 -12.553 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.411 0.400 -10.373 1.00 71.13 H new ATOM 0 HD12 ILE A 85 13.574 1.765 -9.242 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.169 1.675 -10.331 1.00 71.13 H new ATOM 1323 N LYS A 86 13.665 6.566 -12.625 1.00 70.13 N ATOM 1324 CA LYS A 86 13.377 7.989 -12.640 1.00 52.41 C ATOM 1325 C LYS A 86 12.211 8.279 -11.692 1.00 72.24 C ATOM 1326 O LYS A 86 12.284 9.194 -10.874 1.00 12.14 O ATOM 1327 CB LYS A 86 13.142 8.474 -14.071 1.00 14.22 C ATOM 1328 CG LYS A 86 14.444 8.470 -14.874 1.00 24.43 C ATOM 1329 CD LYS A 86 14.397 9.501 -16.003 1.00 71.23 C ATOM 1330 CE LYS A 86 15.780 9.695 -16.628 1.00 51.35 C ATOM 1331 NZ LYS A 86 16.792 9.946 -15.578 1.00 32.04 N1+ ATOM 0 H LYS A 86 13.078 6.006 -13.244 1.00 70.13 H new ATOM 0 HA LYS A 86 14.234 8.555 -12.274 1.00 52.41 H new ATOM 0 HB2 LYS A 86 12.408 7.833 -14.560 1.00 14.22 H new ATOM 0 HB3 LYS A 86 12.725 9.481 -14.053 1.00 14.22 H new ATOM 0 HG2 LYS A 86 15.283 8.687 -14.213 1.00 24.43 H new ATOM 0 HG3 LYS A 86 14.615 7.477 -15.291 1.00 24.43 H new ATOM 0 HD2 LYS A 86 13.691 9.176 -16.767 1.00 71.23 H new ATOM 0 HD3 LYS A 86 14.032 10.453 -15.616 1.00 71.23 H new ATOM 0 HE2 LYS A 86 16.054 8.809 -17.201 1.00 51.35 H new ATOM 0 HE3 LYS A 86 15.756 10.532 -17.326 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 17.612 10.431 -15.995 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 16.379 10.542 -14.833 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 17.098 9.041 -15.167 1.00 32.04 H new ATOM 1344 N LYS A 87 11.162 7.482 -11.836 1.00 51.43 N ATOM 1345 CA LYS A 87 9.981 7.643 -11.003 1.00 71.11 C ATOM 1346 C LYS A 87 10.329 7.278 -9.559 1.00 30.25 C ATOM 1347 O LYS A 87 11.147 6.390 -9.318 1.00 52.34 O ATOM 1348 CB LYS A 87 8.811 6.841 -11.576 1.00 51.42 C ATOM 1349 CG LYS A 87 8.054 7.652 -12.631 1.00 42.12 C ATOM 1350 CD LYS A 87 6.880 6.853 -13.199 1.00 3.45 C ATOM 1351 CE LYS A 87 7.374 5.635 -13.983 1.00 15.15 C ATOM 1352 NZ LYS A 87 6.379 5.237 -15.003 1.00 2.13 N1+ ATOM 0 H LYS A 87 11.105 6.724 -12.516 1.00 51.43 H new ATOM 0 HA LYS A 87 9.654 8.683 -10.999 1.00 71.11 H new ATOM 0 HB2 LYS A 87 9.182 5.917 -12.020 1.00 51.42 H new ATOM 0 HB3 LYS A 87 8.131 6.559 -10.772 1.00 51.42 H new ATOM 0 HG2 LYS A 87 7.688 8.578 -12.189 1.00 42.12 H new ATOM 0 HG3 LYS A 87 8.733 7.930 -13.437 1.00 42.12 H new ATOM 0 HD2 LYS A 87 6.230 6.528 -12.387 1.00 3.45 H new ATOM 0 HD3 LYS A 87 6.282 7.491 -13.850 1.00 3.45 H new ATOM 0 HE2 LYS A 87 8.324 5.866 -14.464 1.00 15.15 H new ATOM 0 HE3 LYS A 87 7.556 4.805 -13.300 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 6.730 4.409 -15.526 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 5.481 4.997 -14.537 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 6.226 6.025 -15.664 1.00 2.13 H new ATOM 1365 N LYS A 88 9.690 7.980 -8.635 1.00 73.34 N ATOM 1366 CA LYS A 88 9.921 7.742 -7.220 1.00 10.55 C ATOM 1367 C LYS A 88 8.942 6.677 -6.720 1.00 15.32 C ATOM 1368 O LYS A 88 9.305 5.827 -5.910 1.00 51.24 O ATOM 1369 CB LYS A 88 9.855 9.054 -6.438 1.00 73.43 C ATOM 1370 CG LYS A 88 10.408 10.216 -7.267 1.00 35.34 C ATOM 1371 CD LYS A 88 10.835 11.378 -6.367 1.00 1.31 C ATOM 1372 CE LYS A 88 9.618 12.089 -5.774 1.00 44.14 C ATOM 1373 NZ LYS A 88 8.879 12.819 -6.829 1.00 21.31 N1+ ATOM 0 H LYS A 88 9.012 8.714 -8.839 1.00 73.34 H new ATOM 0 HA LYS A 88 10.926 7.353 -7.058 1.00 10.55 H new ATOM 0 HB2 LYS A 88 8.823 9.262 -6.157 1.00 73.43 H new ATOM 0 HB3 LYS A 88 10.424 8.959 -5.513 1.00 73.43 H new ATOM 0 HG2 LYS A 88 11.260 9.875 -7.855 1.00 35.34 H new ATOM 0 HG3 LYS A 88 9.650 10.557 -7.972 1.00 35.34 H new ATOM 0 HD2 LYS A 88 11.470 11.006 -5.563 1.00 1.31 H new ATOM 0 HD3 LYS A 88 11.431 12.087 -6.941 1.00 1.31 H new ATOM 0 HE2 LYS A 88 8.960 11.361 -5.298 1.00 44.14 H new ATOM 0 HE3 LYS A 88 9.938 12.785 -4.998 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 8.257 13.527 -6.390 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 9.555 13.295 -7.460 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 8.306 12.148 -7.379 1.00 21.31 H new ATOM 1386 N GLU A 89 7.720 6.760 -7.224 1.00 4.13 N ATOM 1387 CA GLU A 89 6.686 5.815 -6.839 1.00 30.31 C ATOM 1388 C GLU A 89 7.056 4.405 -7.304 1.00 34.03 C ATOM 1389 O GLU A 89 6.961 3.450 -6.536 1.00 20.11 O ATOM 1390 CB GLU A 89 5.324 6.236 -7.394 1.00 13.22 C ATOM 1391 CG GLU A 89 4.199 5.397 -6.783 1.00 72.24 C ATOM 1392 CD GLU A 89 2.845 5.772 -7.388 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.258 6.795 -7.005 1.00 43.15 O ATOM 1394 OE2 GLU A 89 2.405 4.958 -8.287 1.00 73.44 O1- ATOM 0 H GLU A 89 7.423 7.467 -7.896 1.00 4.13 H new ATOM 0 HA GLU A 89 6.612 5.810 -5.752 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.152 7.291 -7.182 1.00 13.22 H new ATOM 0 HB3 GLU A 89 5.319 6.123 -8.478 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.397 4.339 -6.953 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.173 5.547 -5.704 1.00 72.24 H new ATOM 1402 N GLU A 90 7.468 4.320 -8.561 1.00 5.05 N ATOM 1403 CA GLU A 90 7.853 3.043 -9.137 1.00 64.24 C ATOM 1404 C GLU A 90 8.824 2.312 -8.208 1.00 42.35 C ATOM 1405 O GLU A 90 8.889 1.084 -8.215 1.00 45.31 O ATOM 1406 CB GLU A 90 8.462 3.231 -10.529 1.00 25.43 C ATOM 1407 CG GLU A 90 8.218 2.000 -11.404 1.00 31.10 C ATOM 1408 CD GLU A 90 8.709 2.238 -12.833 1.00 25.43 C ATOM 1409 OE1 GLU A 90 9.913 2.437 -13.051 1.00 53.11 O ATOM 1410 OE2 GLU A 90 7.788 2.210 -13.737 1.00 24.22 O1- ATOM 0 H GLU A 90 7.543 5.115 -9.196 1.00 5.05 H new ATOM 0 HA GLU A 90 6.957 2.432 -9.247 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.028 4.111 -11.004 1.00 25.43 H new ATOM 0 HB3 GLU A 90 9.533 3.412 -10.440 1.00 25.43 H new ATOM 0 HG2 GLU A 90 8.732 1.139 -10.978 1.00 31.10 H new ATOM 0 HG3 GLU A 90 7.154 1.763 -11.416 1.00 31.10 H new ATOM 1418 N ARG A 91 9.554 3.098 -7.430 1.00 31.35 N ATOM 1419 CA ARG A 91 10.519 2.540 -6.497 1.00 20.15 C ATOM 1420 C ARG A 91 9.830 2.165 -5.183 1.00 3.32 C ATOM 1421 O ARG A 91 10.250 1.231 -4.503 1.00 1.04 O ATOM 1422 CB ARG A 91 11.645 3.535 -6.210 1.00 14.11 C ATOM 1423 CG ARG A 91 12.793 3.367 -7.207 1.00 42.25 C ATOM 1424 CD ARG A 91 13.890 4.405 -6.962 1.00 41.32 C ATOM 1425 NE ARG A 91 13.539 5.679 -7.629 1.00 5.33 N ATOM 1426 CZ ARG A 91 14.050 6.880 -7.284 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.940 6.981 -6.273 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.666 7.953 -7.948 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.497 4.116 -7.426 1.00 31.35 H new ATOM 0 HA ARG A 91 10.946 1.648 -6.954 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.258 4.553 -6.264 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.015 3.388 -5.195 1.00 14.11 H new ATOM 0 HG2 ARG A 91 13.211 2.364 -7.120 1.00 42.25 H new ATOM 0 HG3 ARG A 91 12.414 3.467 -8.224 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.016 4.568 -5.892 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.843 4.036 -7.342 1.00 41.32 H new ATOM 0 HE ARG A 91 12.869 5.647 -8.397 1.00 5.33 H new ATOM 0 HH11 ARG A 91 15.231 6.146 -5.764 1.00 41.21 H new ATOM 0 HH12 ARG A 91 15.321 7.892 -6.018 1.00 41.21 H new ATOM 0 HH21 ARG A 91 12.993 7.868 -8.709 1.00 32.24 H new ATOM 0 HH22 ARG A 91 14.042 8.868 -7.700 1.00 32.24 H new ATOM 1441 N ALA A 92 8.784 2.914 -4.866 1.00 43.14 N ATOM 1442 CA ALA A 92 8.035 2.673 -3.645 1.00 61.50 C ATOM 1443 C ALA A 92 7.314 1.327 -3.752 1.00 12.24 C ATOM 1444 O ALA A 92 7.295 0.552 -2.797 1.00 11.23 O ATOM 1445 CB ALA A 92 7.068 3.833 -3.401 1.00 62.14 C ATOM 0 H ALA A 92 8.438 3.688 -5.433 1.00 43.14 H new ATOM 0 HA ALA A 92 8.706 2.622 -2.787 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.506 3.652 -2.485 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.631 4.761 -3.304 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.377 3.913 -4.240 1.00 62.14 H new ATOM 1451 N ASP A 93 6.741 1.090 -4.922 1.00 75.33 N ATOM 1452 CA ASP A 93 6.022 -0.149 -5.167 1.00 73.40 C ATOM 1453 C ASP A 93 7.022 -1.302 -5.272 1.00 31.00 C ATOM 1454 O ASP A 93 6.904 -2.297 -4.559 1.00 62.34 O ATOM 1455 CB ASP A 93 5.239 -0.081 -6.479 1.00 62.14 C ATOM 1456 CG ASP A 93 3.958 0.755 -6.426 1.00 74.20 C ATOM 1457 OD1 ASP A 93 3.840 1.785 -7.106 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.045 0.304 -5.634 1.00 64.24 O1- ATOM 0 H ASP A 93 6.760 1.735 -5.712 1.00 75.33 H new ATOM 0 HA ASP A 93 5.328 -0.305 -4.341 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.890 0.328 -7.252 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.981 -1.095 -6.783 1.00 62.14 H new ATOM 1464 N LEU A 94 7.984 -1.129 -6.167 1.00 12.24 N ATOM 1465 CA LEU A 94 9.003 -2.143 -6.375 1.00 1.33 C ATOM 1466 C LEU A 94 9.526 -2.620 -5.018 1.00 21.32 C ATOM 1467 O LEU A 94 9.683 -3.820 -4.797 1.00 4.12 O ATOM 1468 CB LEU A 94 10.099 -1.618 -7.305 1.00 1.22 C ATOM 1469 CG LEU A 94 11.267 -2.570 -7.570 1.00 64.13 C ATOM 1470 CD1 LEU A 94 10.771 -3.907 -8.125 1.00 14.55 C ATOM 1471 CD2 LEU A 94 12.307 -1.921 -8.484 1.00 54.24 C ATOM 0 H LEU A 94 8.079 -0.302 -6.756 1.00 12.24 H new ATOM 0 HA LEU A 94 8.578 -3.012 -6.878 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.643 -1.359 -8.261 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.497 -0.696 -6.881 1.00 1.22 H new ATOM 0 HG LEU A 94 11.759 -2.779 -6.620 1.00 64.13 H new ATOM 0 HD11 LEU A 94 11.622 -4.565 -8.304 1.00 14.55 H new ATOM 0 HD12 LEU A 94 10.098 -4.373 -7.405 1.00 14.55 H new ATOM 0 HD13 LEU A 94 10.240 -3.738 -9.062 1.00 14.55 H new ATOM 0 HD21 LEU A 94 13.126 -2.619 -8.656 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.844 -1.663 -9.436 1.00 54.24 H new ATOM 0 HD23 LEU A 94 12.693 -1.018 -8.012 1.00 54.24 H new ATOM 1483 N ILE A 95 9.780 -1.656 -4.146 1.00 21.15 N ATOM 1484 CA ILE A 95 10.282 -1.962 -2.816 1.00 63.21 C ATOM 1485 C ILE A 95 9.177 -2.638 -2.003 1.00 63.41 C ATOM 1486 O ILE A 95 9.389 -3.703 -1.423 1.00 23.11 O ATOM 1487 CB ILE A 95 10.852 -0.706 -2.156 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.171 -0.292 -2.810 1.00 32.14 C ATOM 1489 CG2 ILE A 95 10.998 -0.899 -0.645 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.590 1.109 -2.362 1.00 73.24 C ATOM 0 H ILE A 95 9.648 -0.662 -4.334 1.00 21.15 H new ATOM 0 HA ILE A 95 11.112 -2.666 -2.874 1.00 63.21 H new ATOM 0 HB ILE A 95 10.146 0.110 -2.311 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.950 -1.009 -2.550 1.00 32.14 H new ATOM 0 HG13 ILE A 95 12.066 -0.314 -3.895 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.405 0.009 -0.200 1.00 73.02 H new ATOM 0 HG22 ILE A 95 10.022 -1.110 -0.209 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.671 -1.733 -0.448 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.531 1.378 -2.842 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.820 1.827 -2.645 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.718 1.122 -1.280 1.00 73.24 H new ATOM 1502 N ALA A 96 8.020 -1.992 -1.984 1.00 32.22 N ATOM 1503 CA ALA A 96 6.881 -2.517 -1.251 1.00 61.14 C ATOM 1504 C ALA A 96 6.809 -4.033 -1.446 1.00 33.13 C ATOM 1505 O ALA A 96 6.573 -4.774 -0.493 1.00 22.11 O ATOM 1506 CB ALA A 96 5.606 -1.809 -1.713 1.00 55.41 C ATOM 0 H ALA A 96 7.847 -1.109 -2.465 1.00 32.22 H new ATOM 0 HA ALA A 96 6.991 -2.327 -0.183 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.751 -2.203 -1.163 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.696 -0.739 -1.526 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.461 -1.980 -2.780 1.00 55.41 H new ATOM 1512 N TYR A 97 7.018 -4.449 -2.685 1.00 60.33 N ATOM 1513 CA TYR A 97 6.981 -5.863 -3.017 1.00 13.11 C ATOM 1514 C TYR A 97 8.175 -6.601 -2.411 1.00 22.34 C ATOM 1515 O TYR A 97 8.005 -7.466 -1.554 1.00 64.42 O ATOM 1516 CB TYR A 97 7.070 -5.941 -4.543 1.00 3.14 C ATOM 1517 CG TYR A 97 7.605 -7.275 -5.068 1.00 15.05 C ATOM 1518 CD1 TYR A 97 7.423 -8.428 -4.332 1.00 21.51 C ATOM 1519 CD2 TYR A 97 8.268 -7.325 -6.278 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.927 -9.683 -4.826 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.771 -8.580 -6.772 1.00 1.23 C ATOM 1522 CZ TYR A 97 8.575 -9.698 -6.021 1.00 73.54 C ATOM 1523 OH TYR A 97 9.050 -10.883 -6.488 1.00 60.45 O ATOM 0 H TYR A 97 7.214 -3.831 -3.473 1.00 60.33 H new ATOM 0 HA TYR A 97 6.074 -6.324 -2.627 1.00 13.11 H new ATOM 0 HB2 TYR A 97 6.080 -5.768 -4.964 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.713 -5.137 -4.901 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.903 -8.389 -3.386 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.409 -6.422 -6.854 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.793 -10.593 -4.260 1.00 54.24 H new ATOM 0 HE2 TYR A 97 9.292 -8.633 -7.717 1.00 1.23 H new ATOM 0 HH TYR A 97 9.598 -10.725 -7.285 1.00 60.45 H new ATOM 1533 N LEU A 98 9.358 -6.231 -2.878 1.00 52.20 N ATOM 1534 CA LEU A 98 10.582 -6.847 -2.393 1.00 32.23 C ATOM 1535 C LEU A 98 10.481 -7.046 -0.879 1.00 0.11 C ATOM 1536 O LEU A 98 11.069 -7.977 -0.332 1.00 31.23 O ATOM 1537 CB LEU A 98 11.801 -6.030 -2.825 1.00 12.22 C ATOM 1538 CG LEU A 98 12.371 -6.355 -4.208 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.666 -5.585 -4.462 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.557 -7.864 -4.383 1.00 14.05 C ATOM 0 H LEU A 98 9.495 -5.512 -3.588 1.00 52.20 H new ATOM 0 HA LEU A 98 10.714 -7.833 -2.838 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.532 -4.974 -2.804 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.590 -6.173 -2.086 1.00 12.22 H new ATOM 0 HG LEU A 98 11.651 -6.030 -4.959 1.00 61.35 H new ATOM 0 HD11 LEU A 98 14.050 -5.834 -5.451 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.469 -4.514 -4.408 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.405 -5.856 -3.708 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.963 -8.068 -5.374 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.246 -8.236 -3.625 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.595 -8.364 -4.275 1.00 14.05 H new ATOM 1552 N LYS A 99 9.731 -6.157 -0.246 1.00 42.13 N ATOM 1553 CA LYS A 99 9.544 -6.224 1.194 1.00 65.14 C ATOM 1554 C LYS A 99 8.765 -7.493 1.545 1.00 74.10 C ATOM 1555 O LYS A 99 9.215 -8.295 2.362 1.00 12.40 O ATOM 1556 CB LYS A 99 8.892 -4.940 1.710 1.00 53.10 C ATOM 1557 CG LYS A 99 9.950 -3.901 2.089 1.00 51.40 C ATOM 1558 CD LYS A 99 9.364 -2.834 3.016 1.00 53.31 C ATOM 1559 CE LYS A 99 10.429 -1.813 3.418 1.00 14.20 C ATOM 1560 NZ LYS A 99 11.361 -2.399 4.407 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.245 -5.386 -0.704 1.00 42.13 H new ATOM 0 HA LYS A 99 10.507 -6.291 1.700 1.00 65.14 H new ATOM 0 HB2 LYS A 99 8.232 -4.530 0.945 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.272 -5.166 2.578 1.00 53.10 H new ATOM 0 HG2 LYS A 99 10.789 -4.394 2.580 1.00 51.40 H new ATOM 0 HG3 LYS A 99 10.341 -3.429 1.187 1.00 51.40 H new ATOM 0 HD2 LYS A 99 8.539 -2.327 2.516 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.954 -3.308 3.908 1.00 53.31 H new ATOM 0 HE2 LYS A 99 10.982 -1.489 2.536 1.00 14.20 H new ATOM 0 HE3 LYS A 99 9.952 -0.928 3.839 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 11.657 -1.665 5.082 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 10.885 -3.169 4.919 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 12.197 -2.775 3.916 1.00 30.50 H new ATOM 1573 N LYS A 100 7.612 -7.636 0.909 1.00 45.50 N ATOM 1574 CA LYS A 100 6.766 -8.794 1.143 1.00 71.42 C ATOM 1575 C LYS A 100 7.407 -10.026 0.502 1.00 15.31 C ATOM 1576 O LYS A 100 7.026 -11.156 0.803 1.00 13.03 O ATOM 1577 CB LYS A 100 5.339 -8.522 0.663 1.00 23.01 C ATOM 1578 CG LYS A 100 4.324 -9.324 1.480 1.00 62.30 C ATOM 1579 CD LYS A 100 2.895 -9.021 1.026 1.00 21.42 C ATOM 1580 CE LYS A 100 1.875 -9.551 2.036 1.00 4.03 C ATOM 1581 NZ LYS A 100 0.565 -9.772 1.383 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.243 -6.969 0.231 1.00 45.50 H new ATOM 0 HA LYS A 100 6.684 -8.996 2.211 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.120 -7.458 0.747 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.250 -8.783 -0.392 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.526 -10.390 1.372 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.432 -9.084 2.538 1.00 62.30 H new ATOM 0 HD2 LYS A 100 2.768 -7.945 0.906 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.716 -9.474 0.051 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.234 -10.485 2.469 1.00 4.03 H new ATOM 0 HE3 LYS A 100 1.764 -8.842 2.856 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 -0.115 -10.132 2.083 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 0.217 -8.874 0.991 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 0.672 -10.466 0.616 1.00 72.11 H new ATOM 1594 N ALA A 101 8.370 -9.766 -0.370 1.00 64.02 N ATOM 1595 CA ALA A 101 9.068 -10.841 -1.056 1.00 24.13 C ATOM 1596 C ALA A 101 10.025 -11.527 -0.081 1.00 72.45 C ATOM 1597 O ALA A 101 9.938 -12.735 0.134 1.00 21.11 O ATOM 1598 CB ALA A 101 9.789 -10.279 -2.283 1.00 75.14 C ATOM 0 H ALA A 101 8.683 -8.827 -0.617 1.00 64.02 H new ATOM 0 HA ALA A 101 8.362 -11.594 -1.408 1.00 24.13 H new ATOM 0 HB1 ALA A 101 10.313 -11.084 -2.798 1.00 75.14 H new ATOM 0 HB2 ALA A 101 9.061 -9.829 -2.958 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.508 -9.522 -1.968 1.00 75.14 H new ATOM 1604 N THR A 102 10.918 -10.727 0.484 1.00 15.34 N ATOM 1605 CA THR A 102 11.891 -11.241 1.432 1.00 4.43 C ATOM 1606 C THR A 102 11.241 -11.455 2.801 1.00 51.23 C ATOM 1607 O THR A 102 11.904 -11.875 3.748 1.00 33.25 O ATOM 1608 CB THR A 102 13.076 -10.275 1.465 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.563 -9.120 2.124 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.460 -9.770 0.073 1.00 73.13 C ATOM 0 H THR A 102 10.988 -9.726 0.303 1.00 15.34 H new ATOM 0 HA THR A 102 12.261 -12.220 1.127 1.00 4.43 H new ATOM 0 HB THR A 102 13.934 -10.769 1.921 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.087 -8.559 1.477 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.306 -9.088 0.154 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.734 -10.615 -0.558 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.613 -9.246 -0.370 1.00 73.13 H new ATOM 1618 N ASN A 103 9.953 -11.155 2.861 1.00 70.44 N ATOM 1619 CA ASN A 103 9.206 -11.307 4.098 1.00 11.44 C ATOM 1620 C ASN A 103 8.919 -12.791 4.335 1.00 44.21 C ATOM 1621 O ASN A 103 8.834 -13.237 5.478 1.00 20.15 O ATOM 1622 CB ASN A 103 7.866 -10.572 4.027 1.00 54.20 C ATOM 1623 CG ASN A 103 6.995 -10.901 5.242 1.00 33.53 C ATOM 1624 OD1 ASN A 103 7.459 -10.986 6.367 1.00 4.43 O ATOM 1625 ND2 ASN A 103 5.709 -11.081 4.951 1.00 23.31 N ATOM 0 H ASN A 103 9.407 -10.807 2.073 1.00 70.44 H new ATOM 0 HA ASN A 103 9.804 -10.888 4.907 1.00 11.44 H new ATOM 0 HB2 ASN A 103 8.039 -9.497 3.979 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.342 -10.851 3.113 1.00 54.20 H new ATOM 0 HD21 ASN A 103 5.045 -11.305 5.692 1.00 23.31 H new ATOM 0 HD22 ASN A 103 5.387 -10.995 3.987 1.00 23.31 H new ATOM 1632 N GLU A 104 8.775 -13.517 3.235 1.00 23.13 N ATOM 1633 CA GLU A 104 8.499 -14.941 3.308 1.00 54.13 C ATOM 1634 C GLU A 104 9.804 -15.738 3.268 1.00 73.12 C ATOM 1635 O GLU A 104 10.161 -16.301 2.235 1.00 31.02 O ATOM 1636 CB GLU A 104 7.558 -15.375 2.183 1.00 64.13 C ATOM 1637 CG GLU A 104 6.413 -14.376 2.010 1.00 74.30 C ATOM 1638 CD GLU A 104 5.358 -14.555 3.105 1.00 30.24 C ATOM 1639 OE1 GLU A 104 4.174 -14.757 2.797 1.00 70.41 O ATOM 1640 OE2 GLU A 104 5.807 -14.477 4.311 1.00 71.21 O1- ATOM 0 H GLU A 104 8.845 -13.144 2.288 1.00 23.13 H new ATOM 0 HA GLU A 104 8.000 -15.146 4.255 1.00 54.13 H new ATOM 0 HB2 GLU A 104 8.115 -15.460 1.250 1.00 64.13 H new ATOM 0 HB3 GLU A 104 7.153 -16.363 2.403 1.00 64.13 H new ATOM 0 HG2 GLU A 104 6.805 -13.359 2.041 1.00 74.30 H new ATOM 0 HG3 GLU A 104 5.953 -14.511 1.031 1.00 74.30 H new