USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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: B 58 SER OG : rot 180:sc= 0.299 USER MOD Set 1.2: B 61 ASN : amide:sc= 0.931 X(o=1.2,f=1.1) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0.24 USER MOD Set 2.2: A 61 ASN : amide:sc= 0.843 X(o=1.1,f=1.1) USER MOD Single : A 39 TYR OH : rot -132:sc= 0.00991 USER MOD Single : A 42 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -143:sc=-0.00445 (180deg=-0.551) USER MOD Single : A 52 SER OG : rot 47:sc= 1.2 USER MOD Single : A 53 LYS NZ :NH3+ -105:sc= 1.25 (180deg=-0.19) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0567 K(o=-0.057,f=-1.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.822 K(o=0.82,f=-7.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.512 K(o=0.51,f=-0.0017) USER MOD Single : A 72 MET CE :methyl -169:sc= 0 (180deg=-0.109) USER MOD Single : A 78 ASN : amide:sc= 0.965 K(o=0.96,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 TYR OH : rot -130:sc= 0.00996 USER MOD Single : B 42 THR OG1 : rot 91:sc= 1.24 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 MET CE :methyl -144:sc= -0.0081 (180deg=-0.558) USER MOD Single : B 52 SER OG : rot 44:sc= 1.2 USER MOD Single : B 53 LYS NZ :NH3+ -110:sc= 1.22 (180deg=-0.188) USER MOD Single : B 54 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -0.0726 K(o=-0.073,f=-1.5!) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= 0.833 K(o=0.83,f=-7.5!) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 GLN : amide:sc= 0.518 K(o=0.52,f=-0.0033) USER MOD Single : B 72 MET CE :methyl -169:sc= 0 (180deg=-0.109) USER MOD Single : B 78 ASN : amide:sc= 0.964 K(o=0.96,f=0) USER MOD Single : B 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 38 16.415 -7.583 -51.300 1.00 0.00 N ATOM 2 CA ASP A 38 15.711 -8.244 -50.207 1.00 0.00 C ATOM 3 C ASP A 38 14.919 -7.242 -49.376 1.00 0.00 C ATOM 4 O ASP A 38 14.129 -7.623 -48.513 1.00 0.00 O ATOM 5 CB ASP A 38 16.697 -8.995 -49.309 1.00 0.00 C ATOM 6 CG ASP A 38 17.353 -10.176 -50.009 1.00 0.00 C ATOM 7 OD1 ASP A 38 16.754 -10.717 -50.909 1.00 0.00 O ATOM 8 OD2 ASP A 38 18.447 -10.528 -49.637 1.00 0.00 O ATOM 0 HA ASP A 38 15.013 -8.957 -50.647 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.470 -8.305 -48.970 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.174 -9.350 -48.421 1.00 0.00 H new ATOM 13 N TYR A 39 15.136 -5.958 -49.642 1.00 0.00 N ATOM 14 CA TYR A 39 14.489 -4.898 -48.879 1.00 0.00 C ATOM 15 C TYR A 39 13.097 -4.600 -49.421 1.00 0.00 C ATOM 16 O TYR A 39 12.100 -4.751 -48.715 1.00 0.00 O ATOM 17 CB TYR A 39 15.346 -3.630 -48.891 1.00 0.00 C ATOM 18 CG TYR A 39 14.733 -2.471 -48.136 1.00 0.00 C ATOM 19 CD1 TYR A 39 14.672 -2.502 -46.751 1.00 0.00 C ATOM 20 CD2 TYR A 39 14.231 -1.379 -48.829 1.00 0.00 C ATOM 21 CE1 TYR A 39 14.112 -1.443 -46.061 1.00 0.00 C ATOM 22 CE2 TYR A 39 13.672 -0.321 -48.139 1.00 0.00 C ATOM 23 CZ TYR A 39 13.612 -0.351 -46.761 1.00 0.00 C ATOM 24 OH TYR A 39 13.054 0.703 -46.074 1.00 0.00 O ATOM 0 H TYR A 39 15.756 -5.627 -50.381 1.00 0.00 H new ATOM 0 HA TYR A 39 14.385 -5.242 -47.850 1.00 0.00 H new ATOM 0 HB2 TYR A 39 16.321 -3.858 -48.460 1.00 0.00 H new ATOM 0 HB3 TYR A 39 15.517 -3.328 -49.924 1.00 0.00 H new ATOM 0 HD1 TYR A 39 15.062 -3.353 -46.212 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.277 -1.356 -49.908 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.063 -1.464 -44.982 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.282 0.530 -48.678 1.00 0.00 H new ATOM 0 HH TYR A 39 12.196 0.942 -46.482 1.00 0.00 H new ATOM 34 N LEU A 40 13.035 -4.174 -50.678 1.00 0.00 N ATOM 35 CA LEU A 40 11.773 -3.782 -51.293 1.00 0.00 C ATOM 36 C LEU A 40 10.863 -4.985 -51.499 1.00 0.00 C ATOM 37 O LEU A 40 9.661 -4.918 -51.240 1.00 0.00 O ATOM 38 CB LEU A 40 12.032 -3.092 -52.639 1.00 0.00 C ATOM 39 CG LEU A 40 12.690 -1.709 -52.561 1.00 0.00 C ATOM 40 CD1 LEU A 40 13.039 -1.232 -53.965 1.00 0.00 C ATOM 41 CD2 LEU A 40 11.747 -0.734 -51.873 1.00 0.00 C ATOM 0 H LEU A 40 13.846 -4.091 -51.291 1.00 0.00 H new ATOM 0 HA LEU A 40 11.274 -3.086 -50.619 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.665 -3.742 -53.244 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.082 -2.993 -53.165 1.00 0.00 H new ATOM 0 HG LEU A 40 13.609 -1.768 -51.978 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.507 -0.249 -53.910 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.730 -1.937 -54.428 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.131 -1.168 -54.564 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.216 0.248 -51.818 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.820 -0.662 -52.441 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.529 -1.088 -50.866 1.00 0.00 H new ATOM 53 N PRO A 41 11.441 -6.086 -51.967 1.00 0.00 N ATOM 54 CA PRO A 41 10.692 -7.322 -52.162 1.00 0.00 C ATOM 55 C PRO A 41 9.894 -7.684 -50.917 1.00 0.00 C ATOM 56 O PRO A 41 8.760 -8.156 -51.010 1.00 0.00 O ATOM 57 CB PRO A 41 11.791 -8.350 -52.447 1.00 0.00 C ATOM 58 CG PRO A 41 12.856 -7.565 -53.135 1.00 0.00 C ATOM 59 CD PRO A 41 12.886 -6.250 -52.402 1.00 0.00 C ATOM 0 HA PRO A 41 9.954 -7.258 -52.961 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.161 -8.803 -51.527 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.424 -9.161 -53.076 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.820 -8.071 -53.082 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.627 -7.426 -54.192 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.566 -6.275 -51.551 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.212 -5.433 -53.046 1.00 0.00 H new ATOM 67 N THR A 42 10.490 -7.459 -49.751 1.00 0.00 N ATOM 68 CA THR A 42 9.807 -7.690 -48.484 1.00 0.00 C ATOM 69 C THR A 42 8.683 -6.683 -48.273 1.00 0.00 C ATOM 70 O THR A 42 7.585 -7.045 -47.849 1.00 0.00 O ATOM 71 CB THR A 42 10.793 -7.619 -47.302 1.00 0.00 C ATOM 72 OG1 THR A 42 11.801 -8.626 -47.457 1.00 0.00 O ATOM 73 CG2 THR A 42 10.063 -7.836 -45.985 1.00 0.00 C ATOM 0 H THR A 42 11.446 -7.116 -49.657 1.00 0.00 H new ATOM 0 HA THR A 42 9.378 -8.691 -48.526 1.00 0.00 H new ATOM 0 HB THR A 42 11.254 -6.632 -47.291 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.554 -8.259 -47.966 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.775 -7.783 -45.161 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.303 -7.065 -45.859 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.587 -8.817 -45.990 1.00 0.00 H new ATOM 81 N LEU A 43 8.964 -5.420 -48.571 1.00 0.00 N ATOM 82 CA LEU A 43 7.974 -4.360 -48.420 1.00 0.00 C ATOM 83 C LEU A 43 6.803 -4.558 -49.372 1.00 0.00 C ATOM 84 O LEU A 43 5.681 -4.137 -49.089 1.00 0.00 O ATOM 85 CB LEU A 43 8.621 -2.992 -48.673 1.00 0.00 C ATOM 86 CG LEU A 43 9.624 -2.523 -47.612 1.00 0.00 C ATOM 87 CD1 LEU A 43 10.276 -1.224 -48.067 1.00 0.00 C ATOM 88 CD2 LEU A 43 8.907 -2.338 -46.282 1.00 0.00 C ATOM 0 H LEU A 43 9.870 -5.105 -48.919 1.00 0.00 H new ATOM 0 HA LEU A 43 7.596 -4.400 -47.399 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.129 -3.024 -49.637 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.830 -2.246 -48.753 1.00 0.00 H new ATOM 0 HG LEU A 43 10.405 -3.272 -47.481 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.989 -0.891 -47.313 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.797 -1.389 -49.010 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.510 -0.461 -48.204 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.620 -2.005 -45.528 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.121 -1.591 -46.393 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.466 -3.285 -45.971 1.00 0.00 H new ATOM 100 N ARG A 44 7.069 -5.203 -50.503 1.00 0.00 N ATOM 101 CA ARG A 44 6.020 -5.539 -51.459 1.00 0.00 C ATOM 102 C ARG A 44 4.968 -6.441 -50.829 1.00 0.00 C ATOM 103 O ARG A 44 3.768 -6.210 -50.977 1.00 0.00 O ATOM 104 CB ARG A 44 6.610 -6.228 -52.680 1.00 0.00 C ATOM 105 CG ARG A 44 7.452 -5.333 -53.576 1.00 0.00 C ATOM 106 CD ARG A 44 8.073 -6.097 -54.688 1.00 0.00 C ATOM 107 NE ARG A 44 9.118 -5.335 -55.352 1.00 0.00 N ATOM 108 CZ ARG A 44 10.046 -5.862 -56.174 1.00 0.00 C ATOM 109 NH1 ARG A 44 10.045 -7.153 -56.423 1.00 0.00 N ATOM 110 NH2 ARG A 44 10.956 -5.083 -56.731 1.00 0.00 N ATOM 0 H ARG A 44 8.003 -5.504 -50.780 1.00 0.00 H new ATOM 0 HA ARG A 44 5.544 -4.607 -51.764 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.224 -7.064 -52.346 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.796 -6.647 -53.271 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.829 -4.537 -53.985 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.232 -4.855 -52.983 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.491 -7.026 -54.301 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.306 -6.370 -55.413 1.00 0.00 H new ATOM 0 HE ARG A 44 9.151 -4.330 -55.183 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.342 -7.755 -55.994 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.747 -7.553 -57.045 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.956 -4.081 -56.539 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.658 -5.483 -57.353 1.00 0.00 H new ATOM 124 N LYS A 45 5.424 -7.472 -50.125 1.00 0.00 N ATOM 125 CA LYS A 45 4.526 -8.360 -49.396 1.00 0.00 C ATOM 126 C LYS A 45 3.806 -7.617 -48.278 1.00 0.00 C ATOM 127 O LYS A 45 2.619 -7.841 -48.037 1.00 0.00 O ATOM 128 CB LYS A 45 5.298 -9.551 -48.824 1.00 0.00 C ATOM 129 CG LYS A 45 5.804 -10.534 -49.871 1.00 0.00 C ATOM 130 CD LYS A 45 6.584 -11.671 -49.229 1.00 0.00 C ATOM 131 CE LYS A 45 7.107 -12.645 -50.275 1.00 0.00 C ATOM 132 NZ LYS A 45 7.901 -13.745 -49.665 1.00 0.00 N ATOM 0 H LYS A 45 6.412 -7.713 -50.044 1.00 0.00 H new ATOM 0 HA LYS A 45 3.778 -8.728 -50.098 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.148 -9.177 -48.253 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.654 -10.084 -48.124 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.961 -10.939 -50.431 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.440 -10.012 -50.586 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.419 -11.265 -48.658 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.944 -12.201 -48.524 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.268 -13.067 -50.829 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.725 -12.107 -50.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.238 -14.385 -50.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.716 -13.345 -49.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.305 -14.275 -48.998 1.00 0.00 H new ATOM 146 N GLU A 46 4.528 -6.733 -47.599 1.00 0.00 N ATOM 147 CA GLU A 46 3.937 -5.893 -46.565 1.00 0.00 C ATOM 148 C GLU A 46 2.813 -5.034 -47.129 1.00 0.00 C ATOM 149 O GLU A 46 1.759 -4.890 -46.510 1.00 0.00 O ATOM 150 CB GLU A 46 5.001 -5.017 -45.922 1.00 0.00 C ATOM 0 H GLU A 46 5.526 -6.580 -47.747 1.00 0.00 H new ATOM 0 HA GLU A 46 3.511 -6.546 -45.803 1.00 0.00 H new ATOM 155 N LEU A 47 3.045 -4.463 -48.306 1.00 0.00 N ATOM 156 CA LEU A 47 2.039 -3.646 -48.973 1.00 0.00 C ATOM 157 C LEU A 47 0.829 -4.480 -49.374 1.00 0.00 C ATOM 158 O LEU A 47 -0.311 -4.024 -49.276 1.00 0.00 O ATOM 159 CB LEU A 47 2.639 -2.974 -50.215 1.00 0.00 C ATOM 160 CG LEU A 47 3.672 -1.874 -49.943 1.00 0.00 C ATOM 161 CD1 LEU A 47 4.365 -1.495 -51.244 1.00 0.00 C ATOM 162 CD2 LEU A 47 2.981 -0.671 -49.320 1.00 0.00 C ATOM 0 H LEU A 47 3.923 -4.551 -48.818 1.00 0.00 H new ATOM 0 HA LEU A 47 1.711 -2.880 -48.270 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.107 -3.742 -50.830 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.826 -2.546 -50.802 1.00 0.00 H new ATOM 0 HG LEU A 47 4.427 -2.236 -49.245 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.099 -0.713 -51.051 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.867 -2.370 -51.657 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.626 -1.130 -51.957 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.716 0.111 -49.127 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.221 -0.294 -50.004 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.511 -0.967 -48.382 1.00 0.00 H new ATOM 174 N MET A 48 1.083 -5.703 -49.826 1.00 0.00 N ATOM 175 CA MET A 48 0.011 -6.632 -50.166 1.00 0.00 C ATOM 176 C MET A 48 -0.892 -6.892 -48.968 1.00 0.00 C ATOM 177 O MET A 48 -2.117 -6.895 -49.091 1.00 0.00 O ATOM 178 CB MET A 48 0.596 -7.943 -50.688 1.00 0.00 C ATOM 179 CG MET A 48 -0.432 -8.903 -51.269 1.00 0.00 C ATOM 180 SD MET A 48 0.319 -10.387 -51.968 1.00 0.00 S ATOM 181 CE MET A 48 1.064 -9.721 -53.453 1.00 0.00 C ATOM 0 H MET A 48 2.023 -6.075 -49.966 1.00 0.00 H new ATOM 0 HA MET A 48 -0.596 -6.179 -50.950 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.337 -7.716 -51.454 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.122 -8.442 -49.874 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.137 -9.190 -50.489 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.004 -8.391 -52.043 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.977 -10.447 -54.261 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.552 -8.801 -53.736 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.117 -9.508 -53.268 1.00 0.00 H new ATOM 191 N GLU A 49 -0.282 -7.113 -47.809 1.00 0.00 N ATOM 192 CA GLU A 49 -1.028 -7.258 -46.565 1.00 0.00 C ATOM 193 C GLU A 49 -1.889 -6.032 -46.292 1.00 0.00 C ATOM 194 O GLU A 49 -3.068 -6.151 -45.959 1.00 0.00 O ATOM 195 CB GLU A 49 -0.072 -7.493 -45.393 1.00 0.00 C ATOM 196 CG GLU A 49 -0.756 -7.636 -44.042 1.00 0.00 C ATOM 197 CD GLU A 49 0.213 -7.859 -42.915 1.00 0.00 C ATOM 198 OE1 GLU A 49 1.389 -7.950 -43.177 1.00 0.00 O ATOM 199 OE2 GLU A 49 -0.222 -7.937 -41.790 1.00 0.00 O ATOM 0 H GLU A 49 0.729 -7.196 -47.705 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.685 -8.122 -46.670 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.509 -8.394 -45.589 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.633 -6.663 -45.343 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.340 -6.738 -43.840 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.457 -8.470 -44.082 1.00 0.00 H new ATOM 206 N VAL A 50 -1.293 -4.853 -46.436 1.00 0.00 N ATOM 207 CA VAL A 50 -1.998 -3.603 -46.180 1.00 0.00 C ATOM 208 C VAL A 50 -3.202 -3.450 -47.101 1.00 0.00 C ATOM 209 O VAL A 50 -4.263 -2.991 -46.679 1.00 0.00 O ATOM 210 CB VAL A 50 -1.050 -2.404 -46.377 1.00 0.00 C ATOM 211 CG1 VAL A 50 -1.829 -1.099 -46.357 1.00 0.00 C ATOM 212 CG2 VAL A 50 0.022 -2.409 -45.297 1.00 0.00 C ATOM 0 H VAL A 50 -0.323 -4.737 -46.729 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.349 -3.627 -45.148 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.566 -2.492 -47.350 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.143 -0.264 -46.498 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.566 -1.103 -47.160 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.338 -0.994 -45.399 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.689 -1.559 -45.442 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.449 -2.338 -44.317 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.595 -3.334 -45.358 1.00 0.00 H new ATOM 222 N LEU A 51 -3.029 -3.836 -48.360 1.00 0.00 N ATOM 223 CA LEU A 51 -4.114 -3.781 -49.334 1.00 0.00 C ATOM 224 C LEU A 51 -5.223 -4.763 -48.979 1.00 0.00 C ATOM 225 O LEU A 51 -6.406 -4.437 -49.066 1.00 0.00 O ATOM 226 CB LEU A 51 -3.580 -4.087 -50.739 1.00 0.00 C ATOM 227 CG LEU A 51 -2.662 -3.021 -51.349 1.00 0.00 C ATOM 228 CD1 LEU A 51 -1.900 -3.618 -52.525 1.00 0.00 C ATOM 229 CD2 LEU A 51 -3.494 -1.824 -51.787 1.00 0.00 C ATOM 0 H LEU A 51 -2.147 -4.191 -48.731 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.530 -2.773 -49.316 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.036 -5.031 -50.703 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.429 -4.234 -51.406 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.939 -2.684 -50.607 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.248 -2.860 -52.958 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.299 -4.459 -52.180 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.607 -3.962 -53.280 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.841 -1.066 -52.221 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.225 -2.142 -52.530 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.012 -1.406 -50.924 1.00 0.00 H new ATOM 241 N SER A 52 -4.832 -5.969 -48.580 1.00 0.00 N ATOM 242 CA SER A 52 -5.792 -7.004 -48.217 1.00 0.00 C ATOM 243 C SER A 52 -6.707 -6.538 -47.092 1.00 0.00 C ATOM 244 O SER A 52 -7.884 -6.894 -47.047 1.00 0.00 O ATOM 245 CB SER A 52 -5.066 -8.267 -47.799 1.00 0.00 C ATOM 246 OG SER A 52 -5.971 -9.301 -47.527 1.00 0.00 O ATOM 0 H SER A 52 -3.856 -6.253 -48.500 1.00 0.00 H new ATOM 0 HA SER A 52 -6.406 -7.213 -49.093 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.382 -8.576 -48.590 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.461 -8.067 -46.915 1.00 0.00 H new ATOM 0 HG SER A 52 -6.633 -9.354 -48.247 1.00 0.00 H new ATOM 252 N LYS A 53 -6.158 -5.738 -46.184 1.00 0.00 N ATOM 253 CA LYS A 53 -6.883 -5.325 -44.988 1.00 0.00 C ATOM 254 C LYS A 53 -7.673 -4.046 -45.237 1.00 0.00 C ATOM 255 O LYS A 53 -8.747 -3.847 -44.669 1.00 0.00 O ATOM 256 CB LYS A 53 -5.919 -5.129 -43.818 1.00 0.00 C ATOM 257 CG LYS A 53 -5.283 -6.414 -43.305 1.00 0.00 C ATOM 258 CD LYS A 53 -4.289 -6.131 -42.188 1.00 0.00 C ATOM 259 CE LYS A 53 -3.675 -7.417 -41.654 1.00 0.00 C ATOM 260 NZ LYS A 53 -2.640 -7.150 -40.619 1.00 0.00 N ATOM 0 H LYS A 53 -5.212 -5.362 -46.254 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.588 -6.117 -44.736 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.129 -4.444 -44.125 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.455 -4.650 -42.998 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.060 -7.087 -42.942 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.777 -6.924 -44.125 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.501 -5.475 -42.558 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.790 -5.601 -41.378 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.459 -8.045 -41.230 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.230 -7.976 -42.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.695 -7.300 -41.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.723 -6.167 -40.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.777 -7.797 -39.816 1.00 0.00 H new ATOM 274 N TYR A 54 -7.134 -3.180 -46.089 1.00 0.00 N ATOM 275 CA TYR A 54 -7.758 -1.893 -46.371 1.00 0.00 C ATOM 276 C TYR A 54 -8.947 -2.052 -47.309 1.00 0.00 C ATOM 277 O TYR A 54 -10.100 -1.920 -46.894 1.00 0.00 O ATOM 278 CB TYR A 54 -6.738 -0.923 -46.968 1.00 0.00 C ATOM 279 CG TYR A 54 -5.818 -0.297 -45.943 1.00 0.00 C ATOM 280 CD1 TYR A 54 -5.751 -0.820 -44.659 1.00 0.00 C ATOM 281 CD2 TYR A 54 -5.040 0.799 -46.286 1.00 0.00 C ATOM 282 CE1 TYR A 54 -4.911 -0.249 -43.723 1.00 0.00 C ATOM 283 CE2 TYR A 54 -4.200 1.370 -45.349 1.00 0.00 C ATOM 284 CZ TYR A 54 -4.134 0.850 -44.073 1.00 0.00 C ATOM 285 OH TYR A 54 -3.297 1.418 -43.140 1.00 0.00 O ATOM 0 H TYR A 54 -6.265 -3.347 -46.597 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.122 -1.484 -45.429 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.137 -1.452 -47.707 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.269 -0.132 -47.497 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.356 -1.674 -44.392 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.091 1.206 -47.285 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.858 -0.654 -42.723 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.595 2.224 -45.616 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.823 2.175 -43.543 1.00 0.00 H new ATOM 295 N VAL A 55 -8.662 -2.335 -48.575 1.00 0.00 N ATOM 296 CA VAL A 55 -9.651 -2.185 -49.636 1.00 0.00 C ATOM 297 C VAL A 55 -10.442 -3.472 -49.838 1.00 0.00 C ATOM 298 O VAL A 55 -11.238 -3.583 -50.770 1.00 0.00 O ATOM 299 CB VAL A 55 -8.963 -1.797 -50.957 1.00 0.00 C ATOM 300 CG1 VAL A 55 -8.194 -0.494 -50.794 1.00 0.00 C ATOM 301 CG2 VAL A 55 -8.039 -2.916 -51.409 1.00 0.00 C ATOM 0 H VAL A 55 -7.752 -2.670 -48.892 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.340 -1.395 -49.337 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.725 -1.646 -51.721 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.714 -0.234 -51.737 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.882 0.301 -50.506 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.435 -0.614 -50.021 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.556 -2.634 -52.344 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.280 -3.091 -50.647 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.618 -3.827 -51.560 1.00 0.00 H new ATOM 311 N ASN A 56 -10.218 -4.442 -48.958 1.00 0.00 N ATOM 312 CA ASN A 56 -11.032 -5.652 -48.928 1.00 0.00 C ATOM 313 C ASN A 56 -10.736 -6.543 -50.128 1.00 0.00 C ATOM 314 O ASN A 56 -11.474 -6.537 -51.114 1.00 0.00 O ATOM 315 CB ASN A 56 -12.508 -5.302 -48.873 1.00 0.00 C ATOM 316 CG ASN A 56 -13.358 -6.458 -48.425 1.00 0.00 C ATOM 317 OD1 ASN A 56 -12.897 -7.333 -47.684 1.00 0.00 O ATOM 318 ND2 ASN A 56 -14.592 -6.478 -48.860 1.00 0.00 N ATOM 0 H ASN A 56 -9.479 -4.414 -48.256 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.775 -6.207 -48.026 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.654 -4.463 -48.193 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.837 -4.974 -49.859 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.216 -7.238 -48.589 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.930 -5.734 -49.470 1.00 0.00 H new ATOM 325 N VAL A 57 -9.655 -7.308 -50.039 1.00 0.00 N ATOM 326 CA VAL A 57 -9.164 -8.078 -51.176 1.00 0.00 C ATOM 327 C VAL A 57 -8.231 -9.194 -50.724 1.00 0.00 C ATOM 328 O VAL A 57 -7.544 -9.071 -49.710 1.00 0.00 O ATOM 329 CB VAL A 57 -8.419 -7.158 -52.162 1.00 0.00 C ATOM 330 CG1 VAL A 57 -7.169 -6.584 -51.513 1.00 0.00 C ATOM 331 CG2 VAL A 57 -8.066 -7.930 -53.424 1.00 0.00 C ATOM 0 H VAL A 57 -9.100 -7.412 -49.189 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.026 -8.524 -51.672 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.071 -6.327 -52.433 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.655 -5.937 -52.223 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.449 -6.006 -50.632 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.506 -7.397 -51.218 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.539 -7.274 -54.117 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.426 -8.774 -53.167 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.979 -8.296 -53.894 1.00 0.00 H new ATOM 341 N SER A 58 -8.212 -10.285 -51.483 1.00 0.00 N ATOM 342 CA SER A 58 -7.394 -11.442 -51.140 1.00 0.00 C ATOM 343 C SER A 58 -6.036 -11.380 -51.826 1.00 0.00 C ATOM 344 O SER A 58 -5.834 -10.597 -52.755 1.00 0.00 O ATOM 345 CB SER A 58 -8.110 -12.721 -51.531 1.00 0.00 C ATOM 346 OG SER A 58 -8.149 -12.869 -52.924 1.00 0.00 O ATOM 0 H SER A 58 -8.754 -10.392 -52.340 1.00 0.00 H new ATOM 0 HA SER A 58 -7.233 -11.432 -50.062 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.603 -13.577 -51.085 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.125 -12.709 -51.134 1.00 0.00 H new ATOM 0 HG SER A 58 -8.614 -13.701 -53.152 1.00 0.00 H new ATOM 352 N LEU A 59 -5.106 -12.208 -51.363 1.00 0.00 N ATOM 353 CA LEU A 59 -3.741 -12.192 -51.875 1.00 0.00 C ATOM 354 C LEU A 59 -3.707 -12.519 -53.362 1.00 0.00 C ATOM 355 O LEU A 59 -2.941 -11.924 -54.121 1.00 0.00 O ATOM 356 CB LEU A 59 -2.873 -13.194 -51.104 1.00 0.00 C ATOM 357 CG LEU A 59 -2.676 -12.895 -49.613 1.00 0.00 C ATOM 358 CD1 LEU A 59 -1.925 -14.046 -48.958 1.00 0.00 C ATOM 359 CD2 LEU A 59 -1.917 -11.586 -49.454 1.00 0.00 C ATOM 0 H LEU A 59 -5.273 -12.900 -50.633 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.343 -11.187 -51.735 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.320 -14.184 -51.201 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.893 -13.239 -51.579 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.644 -12.793 -49.122 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.785 -13.833 -47.898 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.499 -14.966 -49.071 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.952 -14.164 -49.436 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.777 -11.373 -48.394 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.945 -11.668 -49.939 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.485 -10.778 -49.914 1.00 0.00 H new ATOM 371 N ASP A 60 -4.541 -13.467 -53.773 1.00 0.00 N ATOM 372 CA ASP A 60 -4.569 -13.914 -55.161 1.00 0.00 C ATOM 373 C ASP A 60 -5.043 -12.802 -56.088 1.00 0.00 C ATOM 374 O ASP A 60 -4.821 -12.853 -57.298 1.00 0.00 O ATOM 375 CB ASP A 60 -5.480 -15.136 -55.313 1.00 0.00 C ATOM 376 CG ASP A 60 -4.897 -16.391 -54.679 1.00 0.00 C ATOM 377 OD1 ASP A 60 -3.721 -16.402 -54.401 1.00 0.00 O ATOM 378 OD2 ASP A 60 -5.633 -17.328 -54.479 1.00 0.00 O ATOM 0 H ASP A 60 -5.208 -13.942 -53.164 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.552 -14.188 -55.441 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.447 -14.921 -54.858 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.659 -15.320 -56.372 1.00 0.00 H new ATOM 383 N ASN A 61 -5.696 -11.798 -55.514 1.00 0.00 N ATOM 384 CA ASN A 61 -6.293 -10.724 -56.299 1.00 0.00 C ATOM 385 C ASN A 61 -5.423 -9.473 -56.272 1.00 0.00 C ATOM 386 O ASN A 61 -5.865 -8.390 -56.654 1.00 0.00 O ATOM 387 CB ASN A 61 -7.692 -10.412 -55.800 1.00 0.00 C ATOM 388 CG ASN A 61 -8.687 -11.476 -56.168 1.00 0.00 C ATOM 389 OD1 ASN A 61 -8.997 -11.673 -57.348 1.00 0.00 O ATOM 390 ND2 ASN A 61 -9.196 -12.167 -55.179 1.00 0.00 N ATOM 0 H ASN A 61 -5.826 -11.705 -54.507 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.361 -11.063 -57.333 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.670 -10.299 -54.716 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.017 -9.457 -56.214 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.877 -12.902 -55.368 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.911 -11.970 -54.220 1.00 0.00 H new ATOM 397 N ILE A 62 -4.184 -9.631 -55.819 1.00 0.00 N ATOM 398 CA ILE A 62 -3.219 -8.538 -55.832 1.00 0.00 C ATOM 399 C ILE A 62 -2.001 -8.890 -56.676 1.00 0.00 C ATOM 400 O ILE A 62 -1.439 -9.979 -56.551 1.00 0.00 O ATOM 401 CB ILE A 62 -2.770 -8.185 -54.403 1.00 0.00 C ATOM 402 CG1 ILE A 62 -3.971 -7.754 -53.557 1.00 0.00 C ATOM 403 CG2 ILE A 62 -1.715 -7.090 -54.432 1.00 0.00 C ATOM 404 CD1 ILE A 62 -3.663 -7.626 -52.082 1.00 0.00 C ATOM 0 H ILE A 62 -3.824 -10.506 -55.438 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.714 -7.673 -56.273 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.330 -9.073 -53.949 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.339 -6.797 -53.926 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.775 -8.478 -53.689 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.409 -6.853 -53.413 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.850 -7.433 -55.000 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.129 -6.199 -54.903 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.562 -7.317 -51.548 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.324 -8.587 -51.696 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.881 -6.881 -51.937 1.00 0.00 H new ATOM 416 N ARG A 63 -1.595 -7.961 -57.536 1.00 0.00 N ATOM 417 CA ARG A 63 -0.359 -8.108 -58.296 1.00 0.00 C ATOM 418 C ARG A 63 0.597 -6.954 -58.022 1.00 0.00 C ATOM 419 O ARG A 63 0.244 -5.788 -58.198 1.00 0.00 O ATOM 420 CB ARG A 63 -0.652 -8.176 -59.787 1.00 0.00 C ATOM 421 CG ARG A 63 -1.480 -9.375 -60.222 1.00 0.00 C ATOM 422 CD ARG A 63 -0.719 -10.644 -60.093 1.00 0.00 C ATOM 423 NE ARG A 63 -1.500 -11.792 -60.523 1.00 0.00 N ATOM 424 CZ ARG A 63 -2.339 -12.487 -59.730 1.00 0.00 C ATOM 425 NH1 ARG A 63 -2.493 -12.140 -58.472 1.00 0.00 N ATOM 426 NH2 ARG A 63 -3.006 -13.519 -60.218 1.00 0.00 N ATOM 0 H ARG A 63 -2.105 -7.098 -57.724 1.00 0.00 H new ATOM 0 HA ARG A 63 0.112 -9.038 -57.977 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.174 -7.266 -60.082 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.294 -8.190 -60.328 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.385 -9.431 -59.618 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.795 -9.243 -61.257 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.193 -10.582 -60.687 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.414 -10.781 -59.055 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.406 -12.093 -61.493 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.977 -11.344 -58.096 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.128 -12.666 -57.872 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.885 -13.789 -61.194 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.641 -14.045 -59.618 1.00 0.00 H new ATOM 440 N ILE A 64 1.809 -7.287 -57.590 1.00 0.00 N ATOM 441 CA ILE A 64 2.826 -6.280 -57.314 1.00 0.00 C ATOM 442 C ILE A 64 4.119 -6.585 -58.059 1.00 0.00 C ATOM 443 O ILE A 64 4.657 -7.688 -57.963 1.00 0.00 O ATOM 444 CB ILE A 64 3.112 -6.188 -55.804 1.00 0.00 C ATOM 445 CG1 ILE A 64 1.837 -5.826 -55.040 1.00 0.00 C ATOM 446 CG2 ILE A 64 4.207 -5.167 -55.531 1.00 0.00 C ATOM 447 CD1 ILE A 64 1.994 -5.861 -53.536 1.00 0.00 C ATOM 0 H ILE A 64 2.110 -8.247 -57.424 1.00 0.00 H new ATOM 0 HA ILE A 64 2.438 -5.323 -57.662 1.00 0.00 H new ATOM 0 HB ILE A 64 3.456 -7.162 -55.457 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.517 -4.828 -55.339 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.044 -6.515 -55.329 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.397 -5.115 -54.459 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.120 -5.466 -56.047 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.890 -4.188 -55.892 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.048 -5.593 -53.065 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.283 -6.864 -53.224 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.764 -5.151 -53.234 1.00 0.00 H new ATOM 459 N SER A 65 4.615 -5.602 -58.801 1.00 0.00 N ATOM 460 CA SER A 65 5.819 -5.778 -59.603 1.00 0.00 C ATOM 461 C SER A 65 6.514 -4.446 -59.856 1.00 0.00 C ATOM 462 O SER A 65 5.861 -3.412 -59.997 1.00 0.00 O ATOM 463 CB SER A 65 5.475 -6.438 -60.924 1.00 0.00 C ATOM 464 OG SER A 65 6.619 -6.607 -61.714 1.00 0.00 O ATOM 0 H SER A 65 4.200 -4.672 -58.864 1.00 0.00 H new ATOM 0 HA SER A 65 6.502 -6.419 -59.046 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.009 -7.406 -60.740 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.746 -5.830 -61.459 1.00 0.00 H new ATOM 0 HG SER A 65 6.372 -7.036 -62.560 1.00 0.00 H new ATOM 470 N GLN A 66 7.841 -4.478 -59.913 1.00 0.00 N ATOM 471 CA GLN A 66 8.628 -3.269 -60.129 1.00 0.00 C ATOM 472 C GLN A 66 9.362 -3.322 -61.463 1.00 0.00 C ATOM 473 O GLN A 66 9.904 -4.359 -61.844 1.00 0.00 O ATOM 474 CB GLN A 66 9.629 -3.071 -58.989 1.00 0.00 C ATOM 475 CG GLN A 66 10.412 -1.771 -59.067 1.00 0.00 C ATOM 476 CD GLN A 66 11.146 -1.459 -57.777 1.00 0.00 C ATOM 477 OE1 GLN A 66 11.488 -2.361 -57.007 1.00 0.00 O ATOM 478 NE2 GLN A 66 11.392 -0.177 -57.533 1.00 0.00 N ATOM 0 H GLN A 66 8.395 -5.329 -59.813 1.00 0.00 H new ATOM 0 HA GLN A 66 7.941 -2.423 -60.149 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.093 -3.103 -58.040 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.331 -3.905 -58.987 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.130 -1.831 -59.885 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.730 -0.953 -59.301 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.091 0.536 -58.198 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.882 0.095 -56.681 1.00 0.00 H new ATOM 487 N GLU A 67 9.376 -2.196 -62.169 1.00 0.00 N ATOM 488 CA GLU A 67 9.917 -2.148 -63.523 1.00 0.00 C ATOM 489 C GLU A 67 10.743 -0.888 -63.740 1.00 0.00 C ATOM 490 O GLU A 67 10.390 0.189 -63.259 1.00 0.00 O ATOM 491 CB GLU A 67 8.785 -2.212 -64.552 1.00 0.00 C ATOM 492 CG GLU A 67 9.255 -2.254 -65.999 1.00 0.00 C ATOM 493 CD GLU A 67 8.122 -2.407 -66.976 1.00 0.00 C ATOM 494 OE1 GLU A 67 6.995 -2.456 -66.547 1.00 0.00 O ATOM 495 OE2 GLU A 67 8.386 -2.474 -68.154 1.00 0.00 O ATOM 0 H GLU A 67 9.019 -1.304 -61.826 1.00 0.00 H new ATOM 0 HA GLU A 67 10.568 -3.012 -63.653 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.179 -3.096 -64.353 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.138 -1.345 -64.417 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.802 -1.339 -66.225 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.952 -3.082 -66.126 1.00 0.00 H new ATOM 502 N LYS A 68 11.846 -1.028 -64.468 1.00 0.00 N ATOM 503 CA LYS A 68 12.768 0.081 -64.685 1.00 0.00 C ATOM 504 C LYS A 68 12.194 1.088 -65.675 1.00 0.00 C ATOM 505 O LYS A 68 11.834 0.733 -66.797 1.00 0.00 O ATOM 506 CB LYS A 68 14.119 -0.434 -65.183 1.00 0.00 C ATOM 507 CG LYS A 68 15.180 0.644 -65.351 1.00 0.00 C ATOM 508 CD LYS A 68 16.517 0.046 -65.762 1.00 0.00 C ATOM 509 CE LYS A 68 17.578 1.122 -65.933 1.00 0.00 C ATOM 510 NZ LYS A 68 18.896 0.549 -66.320 1.00 0.00 N ATOM 0 H LYS A 68 12.123 -1.900 -64.918 1.00 0.00 H new ATOM 0 HA LYS A 68 12.913 0.586 -63.730 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.488 -1.184 -64.484 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.973 -0.935 -66.140 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.855 1.363 -66.103 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.296 1.191 -64.416 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.843 -0.672 -65.009 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.400 -0.503 -66.696 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.254 1.833 -66.693 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.684 1.678 -65.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.590 1.316 -66.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.218 -0.110 -65.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.802 0.040 -67.222 1.00 0.00 H new ATOM 524 N GLN A 69 12.113 2.344 -65.252 1.00 0.00 N ATOM 525 CA GLN A 69 11.699 3.426 -66.138 1.00 0.00 C ATOM 526 C GLN A 69 12.711 4.565 -66.127 1.00 0.00 C ATOM 527 O GLN A 69 12.892 5.237 -65.112 1.00 0.00 O ATOM 528 CB GLN A 69 10.318 3.950 -65.736 1.00 0.00 C ATOM 529 CG GLN A 69 9.828 5.120 -66.572 1.00 0.00 C ATOM 530 CD GLN A 69 9.547 4.726 -68.010 1.00 0.00 C ATOM 531 OE1 GLN A 69 8.689 3.882 -68.281 1.00 0.00 O ATOM 532 NE2 GLN A 69 10.270 5.338 -68.942 1.00 0.00 N ATOM 0 H GLN A 69 12.329 2.639 -64.300 1.00 0.00 H new ATOM 0 HA GLN A 69 11.646 3.025 -67.150 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.597 3.136 -65.812 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.347 4.253 -64.689 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.921 5.527 -66.126 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.575 5.913 -66.555 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.969 6.030 -68.672 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.126 5.116 -69.927 1.00 0.00 H new ATOM 541 N ASP A 70 13.368 4.777 -67.262 1.00 0.00 N ATOM 542 CA ASP A 70 14.501 5.693 -67.333 1.00 0.00 C ATOM 543 C ASP A 70 15.641 5.229 -66.436 1.00 0.00 C ATOM 544 O ASP A 70 16.016 4.057 -66.450 1.00 0.00 O ATOM 545 CB ASP A 70 14.072 7.107 -66.933 1.00 0.00 C ATOM 546 CG ASP A 70 12.912 7.632 -67.767 1.00 0.00 C ATOM 547 OD1 ASP A 70 12.668 7.090 -68.819 1.00 0.00 O ATOM 548 OD2 ASP A 70 12.280 8.571 -67.344 1.00 0.00 O ATOM 0 H ASP A 70 13.135 4.326 -68.147 1.00 0.00 H new ATOM 0 HA ASP A 70 14.855 5.703 -68.364 1.00 0.00 H new ATOM 0 HB2 ASP A 70 13.787 7.111 -65.881 1.00 0.00 H new ATOM 0 HB3 ASP A 70 14.922 7.782 -67.036 1.00 0.00 H new ATOM 553 N GLY A 71 16.188 6.155 -65.656 1.00 0.00 N ATOM 554 CA GLY A 71 17.281 5.840 -64.743 1.00 0.00 C ATOM 555 C GLY A 71 16.757 5.507 -63.352 1.00 0.00 C ATOM 556 O GLY A 71 17.530 5.378 -62.402 1.00 0.00 O ATOM 0 H GLY A 71 15.892 7.131 -65.638 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.851 4.996 -65.131 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.965 6.687 -64.684 1.00 0.00 H new ATOM 560 N MET A 72 15.441 5.369 -63.238 1.00 0.00 N ATOM 561 CA MET A 72 14.815 5.014 -61.970 1.00 0.00 C ATOM 562 C MET A 72 13.936 3.778 -62.117 1.00 0.00 C ATOM 563 O MET A 72 13.664 3.327 -63.229 1.00 0.00 O ATOM 564 CB MET A 72 13.998 6.188 -61.437 1.00 0.00 C ATOM 565 CG MET A 72 14.819 7.426 -61.102 1.00 0.00 C ATOM 566 SD MET A 72 13.798 8.813 -60.564 1.00 0.00 S ATOM 567 CE MET A 72 13.099 9.343 -62.125 1.00 0.00 C ATOM 0 H MET A 72 14.786 5.498 -64.009 1.00 0.00 H new ATOM 0 HA MET A 72 15.605 4.781 -61.256 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.244 6.456 -62.178 1.00 0.00 H new ATOM 0 HB3 MET A 72 13.465 5.867 -60.542 1.00 0.00 H new ATOM 0 HG2 MET A 72 15.535 7.181 -60.317 1.00 0.00 H new ATOM 0 HG3 MET A 72 15.396 7.723 -61.978 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.603 10.305 -61.994 1.00 0.00 H new ATOM 0 HE2 MET A 72 13.894 9.443 -62.864 1.00 0.00 H new ATOM 0 HE3 MET A 72 12.374 8.605 -62.468 1.00 0.00 H new ATOM 577 N ASP A 73 13.495 3.234 -60.988 1.00 0.00 N ATOM 578 CA ASP A 73 12.569 2.108 -60.990 1.00 0.00 C ATOM 579 C ASP A 73 11.197 2.522 -60.473 1.00 0.00 C ATOM 580 O ASP A 73 11.088 3.347 -59.566 1.00 0.00 O ATOM 581 CB ASP A 73 13.118 0.960 -60.140 1.00 0.00 C ATOM 582 CG ASP A 73 14.390 0.352 -60.714 1.00 0.00 C ATOM 583 OD1 ASP A 73 14.622 0.511 -61.889 1.00 0.00 O ATOM 584 OD2 ASP A 73 15.117 -0.264 -59.973 1.00 0.00 O ATOM 0 H ASP A 73 13.765 3.555 -60.058 1.00 0.00 H new ATOM 0 HA ASP A 73 12.462 1.770 -62.021 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.318 1.325 -59.133 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.358 0.184 -60.053 1.00 0.00 H new ATOM 589 N VAL A 74 10.152 1.943 -61.054 1.00 0.00 N ATOM 590 CA VAL A 74 8.785 2.250 -60.652 1.00 0.00 C ATOM 591 C VAL A 74 8.069 1.007 -60.138 1.00 0.00 C ATOM 592 O VAL A 74 7.963 0.004 -60.843 1.00 0.00 O ATOM 593 CB VAL A 74 7.997 2.838 -61.838 1.00 0.00 C ATOM 594 CG1 VAL A 74 6.555 3.110 -61.438 1.00 0.00 C ATOM 595 CG2 VAL A 74 8.671 4.111 -62.326 1.00 0.00 C ATOM 0 H VAL A 74 10.226 1.258 -61.806 1.00 0.00 H new ATOM 0 HA VAL A 74 8.834 2.983 -59.847 1.00 0.00 H new ATOM 0 HB VAL A 74 7.989 2.113 -62.652 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.014 3.525 -62.288 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.082 2.179 -61.126 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.534 3.821 -60.612 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.109 4.522 -63.165 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.700 4.841 -61.517 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.688 3.884 -62.647 1.00 0.00 H new ATOM 605 N LEU A 75 7.578 1.081 -58.905 1.00 0.00 N ATOM 606 CA LEU A 75 6.812 -0.012 -58.319 1.00 0.00 C ATOM 607 C LEU A 75 5.331 0.110 -58.654 1.00 0.00 C ATOM 608 O LEU A 75 4.738 1.179 -58.504 1.00 0.00 O ATOM 609 CB LEU A 75 6.998 -0.034 -56.796 1.00 0.00 C ATOM 610 CG LEU A 75 6.227 -1.128 -56.047 1.00 0.00 C ATOM 611 CD1 LEU A 75 6.767 -2.495 -56.447 1.00 0.00 C ATOM 612 CD2 LEU A 75 6.358 -0.906 -54.548 1.00 0.00 C ATOM 0 H LEU A 75 7.697 1.888 -58.292 1.00 0.00 H new ATOM 0 HA LEU A 75 7.184 -0.945 -58.743 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.060 -0.151 -56.580 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.696 0.935 -56.398 1.00 0.00 H new ATOM 0 HG LEU A 75 5.170 -1.085 -56.310 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.219 -3.273 -55.915 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.644 -2.635 -57.521 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.825 -2.557 -56.192 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.810 -1.684 -54.016 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.410 -0.945 -54.265 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.948 0.070 -54.288 1.00 0.00 H new ATOM 624 N GLU A 76 4.740 -0.988 -59.109 1.00 0.00 N ATOM 625 CA GLU A 76 3.354 -0.981 -59.563 1.00 0.00 C ATOM 626 C GLU A 76 2.519 -2.003 -58.803 1.00 0.00 C ATOM 627 O GLU A 76 2.885 -3.175 -58.715 1.00 0.00 O ATOM 628 CB GLU A 76 3.284 -1.265 -61.065 1.00 0.00 C ATOM 629 CG GLU A 76 1.876 -1.247 -61.643 1.00 0.00 C ATOM 630 CD GLU A 76 1.844 -1.553 -63.115 1.00 0.00 C ATOM 631 OE1 GLU A 76 2.533 -0.894 -63.855 1.00 0.00 O ATOM 632 OE2 GLU A 76 1.127 -2.448 -63.499 1.00 0.00 O ATOM 0 H GLU A 76 5.199 -1.896 -59.174 1.00 0.00 H new ATOM 0 HA GLU A 76 2.944 0.010 -59.366 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.889 -0.526 -61.591 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.731 -2.240 -61.259 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.261 -1.974 -61.112 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.430 -0.267 -61.471 1.00 0.00 H new ATOM 639 N LEU A 77 1.396 -1.553 -58.256 1.00 0.00 N ATOM 640 CA LEU A 77 0.476 -2.440 -57.555 1.00 0.00 C ATOM 641 C LEU A 77 -0.897 -2.446 -58.216 1.00 0.00 C ATOM 642 O LEU A 77 -1.463 -1.391 -58.502 1.00 0.00 O ATOM 643 CB LEU A 77 0.341 -2.012 -56.088 1.00 0.00 C ATOM 644 CG LEU A 77 1.635 -2.042 -55.265 1.00 0.00 C ATOM 645 CD1 LEU A 77 2.396 -0.739 -55.466 1.00 0.00 C ATOM 646 CD2 LEU A 77 1.299 -2.258 -53.797 1.00 0.00 C ATOM 0 H LEU A 77 1.100 -0.577 -58.285 1.00 0.00 H new ATOM 0 HA LEU A 77 0.885 -3.449 -57.602 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.063 -1.000 -56.060 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.390 -2.660 -55.605 1.00 0.00 H new ATOM 0 HG LEU A 77 2.268 -2.865 -55.597 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.315 -0.761 -54.881 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.640 -0.619 -56.522 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.778 0.097 -55.140 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.219 -2.279 -53.213 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.664 -1.444 -53.445 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.773 -3.205 -53.680 1.00 0.00 H new ATOM 658 N ASN A 78 -1.427 -3.640 -58.458 1.00 0.00 N ATOM 659 CA ASN A 78 -2.723 -3.785 -59.109 1.00 0.00 C ATOM 660 C ASN A 78 -3.680 -4.606 -58.255 1.00 0.00 C ATOM 661 O ASN A 78 -3.413 -5.769 -57.951 1.00 0.00 O ATOM 662 CB ASN A 78 -2.563 -4.409 -60.483 1.00 0.00 C ATOM 663 CG ASN A 78 -1.789 -3.535 -61.429 1.00 0.00 C ATOM 664 OD1 ASN A 78 -2.244 -2.446 -61.801 1.00 0.00 O ATOM 665 ND2 ASN A 78 -0.627 -3.987 -61.825 1.00 0.00 N ATOM 0 H ASN A 78 -0.978 -4.522 -58.213 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.151 -2.790 -59.228 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.057 -5.369 -60.385 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.548 -4.610 -60.904 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.057 -3.435 -62.466 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.291 -4.891 -61.493 1.00 0.00 H new ATOM 672 N ILE A 79 -4.795 -3.996 -57.870 1.00 0.00 N ATOM 673 CA ILE A 79 -5.753 -4.638 -56.979 1.00 0.00 C ATOM 674 C ILE A 79 -7.115 -4.783 -57.645 1.00 0.00 C ATOM 675 O ILE A 79 -7.744 -3.791 -58.014 1.00 0.00 O ATOM 676 CB ILE A 79 -5.903 -3.845 -55.668 1.00 0.00 C ATOM 677 CG1 ILE A 79 -4.540 -3.659 -54.997 1.00 0.00 C ATOM 678 CG2 ILE A 79 -6.872 -4.547 -54.729 1.00 0.00 C ATOM 679 CD1 ILE A 79 -3.839 -2.377 -55.380 1.00 0.00 C ATOM 0 H ILE A 79 -5.058 -3.055 -58.162 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.367 -5.632 -56.751 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.307 -2.860 -55.903 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.673 -3.680 -53.915 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.900 -4.503 -55.256 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.966 -3.973 -53.807 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.848 -4.628 -55.207 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.497 -5.544 -54.498 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.881 -2.318 -54.864 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.673 -2.361 -56.457 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.457 -1.525 -55.096 1.00 0.00 H new ATOM 691 N THR A 80 -7.566 -6.023 -57.797 1.00 0.00 N ATOM 692 CA THR A 80 -8.861 -6.298 -58.406 1.00 0.00 C ATOM 693 C THR A 80 -9.978 -6.263 -57.370 1.00 0.00 C ATOM 694 O THR A 80 -9.989 -7.056 -56.429 1.00 0.00 O ATOM 695 CB THR A 80 -8.860 -7.664 -59.118 1.00 0.00 C ATOM 696 OG1 THR A 80 -7.867 -7.666 -60.152 1.00 0.00 O ATOM 697 CG2 THR A 80 -10.224 -7.947 -59.730 1.00 0.00 C ATOM 0 H THR A 80 -7.052 -6.855 -57.506 1.00 0.00 H new ATOM 0 HA THR A 80 -9.042 -5.515 -59.143 1.00 0.00 H new ATOM 0 HB THR A 80 -8.634 -8.439 -58.385 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.866 -8.536 -60.603 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.205 -8.916 -60.229 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.980 -7.958 -58.945 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.466 -7.170 -60.455 1.00 0.00 H new ATOM 705 N LEU A 81 -10.914 -5.337 -57.547 1.00 0.00 N ATOM 706 CA LEU A 81 -12.026 -5.184 -56.617 1.00 0.00 C ATOM 707 C LEU A 81 -13.364 -5.318 -57.331 1.00 0.00 C ATOM 708 O LEU A 81 -14.133 -6.182 -57.008 1.00 0.00 O ATOM 709 CB LEU A 81 -11.947 -3.821 -55.917 1.00 0.00 C ATOM 710 CG LEU A 81 -10.684 -3.574 -55.082 1.00 0.00 C ATOM 711 CD1 LEU A 81 -10.686 -2.140 -54.569 1.00 0.00 C ATOM 712 CD2 LEU A 81 -10.635 -4.566 -53.930 1.00 0.00 C ATOM 0 H LEU A 81 -10.924 -4.680 -58.327 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.952 -5.978 -55.874 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.018 -3.040 -56.674 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.816 -3.716 -55.267 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.796 -3.718 -55.698 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.789 -1.965 -53.976 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.703 -1.451 -55.414 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.568 -1.976 -53.950 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.738 -4.391 -53.337 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.516 -4.438 -53.302 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.616 -5.582 -54.325 1.00 0.00 H new ATOM 725 N ASP B 38 -16.415 7.583 -51.300 1.00 0.00 N ATOM 726 CA ASP B 38 -15.711 8.244 -50.207 1.00 0.00 C ATOM 727 C ASP B 38 -14.919 7.242 -49.376 1.00 0.00 C ATOM 728 O ASP B 38 -14.129 7.623 -48.513 1.00 0.00 O ATOM 729 CB ASP B 38 -16.697 8.995 -49.309 1.00 0.00 C ATOM 730 CG ASP B 38 -17.353 10.176 -50.009 1.00 0.00 C ATOM 731 OD1 ASP B 38 -16.754 10.717 -50.909 1.00 0.00 O ATOM 732 OD2 ASP B 38 -18.447 10.528 -49.637 1.00 0.00 O ATOM 0 HA ASP B 38 -15.013 8.957 -50.647 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -17.470 8.305 -48.970 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -16.174 9.350 -48.421 1.00 0.00 H new ATOM 737 N TYR B 39 -15.136 5.958 -49.642 1.00 0.00 N ATOM 738 CA TYR B 39 -14.489 4.898 -48.879 1.00 0.00 C ATOM 739 C TYR B 39 -13.097 4.600 -49.421 1.00 0.00 C ATOM 740 O TYR B 39 -12.100 4.751 -48.715 1.00 0.00 O ATOM 741 CB TYR B 39 -15.346 3.630 -48.891 1.00 0.00 C ATOM 742 CG TYR B 39 -14.733 2.471 -48.136 1.00 0.00 C ATOM 743 CD1 TYR B 39 -14.672 2.502 -46.751 1.00 0.00 C ATOM 744 CD2 TYR B 39 -14.231 1.379 -48.829 1.00 0.00 C ATOM 745 CE1 TYR B 39 -14.112 1.443 -46.061 1.00 0.00 C ATOM 746 CE2 TYR B 39 -13.672 0.321 -48.139 1.00 0.00 C ATOM 747 CZ TYR B 39 -13.612 0.351 -46.761 1.00 0.00 C ATOM 748 OH TYR B 39 -13.054 -0.703 -46.074 1.00 0.00 O ATOM 0 H TYR B 39 -15.756 5.627 -50.381 1.00 0.00 H new ATOM 0 HA TYR B 39 -14.385 5.242 -47.850 1.00 0.00 H new ATOM 0 HB2 TYR B 39 -16.321 3.858 -48.460 1.00 0.00 H new ATOM 0 HB3 TYR B 39 -15.517 3.328 -49.924 1.00 0.00 H new ATOM 0 HD1 TYR B 39 -15.062 3.353 -46.212 1.00 0.00 H new ATOM 0 HD2 TYR B 39 -14.277 1.356 -49.908 1.00 0.00 H new ATOM 0 HE1 TYR B 39 -14.063 1.464 -44.982 1.00 0.00 H new ATOM 0 HE2 TYR B 39 -13.282 -0.530 -48.678 1.00 0.00 H new ATOM 0 HH TYR B 39 -12.181 -0.921 -46.462 1.00 0.00 H new ATOM 758 N LEU B 40 -13.035 4.174 -50.678 1.00 0.00 N ATOM 759 CA LEU B 40 -11.773 3.782 -51.293 1.00 0.00 C ATOM 760 C LEU B 40 -10.863 4.985 -51.499 1.00 0.00 C ATOM 761 O LEU B 40 -9.661 4.918 -51.240 1.00 0.00 O ATOM 762 CB LEU B 40 -12.032 3.092 -52.639 1.00 0.00 C ATOM 763 CG LEU B 40 -12.690 1.709 -52.561 1.00 0.00 C ATOM 764 CD1 LEU B 40 -13.039 1.232 -53.965 1.00 0.00 C ATOM 765 CD2 LEU B 40 -11.747 0.734 -51.873 1.00 0.00 C ATOM 0 H LEU B 40 -13.846 4.091 -51.291 1.00 0.00 H new ATOM 0 HA LEU B 40 -11.274 3.086 -50.619 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -12.665 3.742 -53.244 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -11.082 2.993 -53.165 1.00 0.00 H new ATOM 0 HG LEU B 40 -13.609 1.768 -51.978 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -13.507 0.249 -53.910 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -13.730 1.937 -54.428 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -12.131 1.168 -54.564 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -12.216 -0.248 -51.818 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -10.820 0.662 -52.441 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -11.529 1.088 -50.866 1.00 0.00 H new ATOM 777 N PRO B 41 -11.441 6.086 -51.967 1.00 0.00 N ATOM 778 CA PRO B 41 -10.692 7.322 -52.162 1.00 0.00 C ATOM 779 C PRO B 41 -9.894 7.684 -50.917 1.00 0.00 C ATOM 780 O PRO B 41 -8.760 8.156 -51.010 1.00 0.00 O ATOM 781 CB PRO B 41 -11.791 8.350 -52.447 1.00 0.00 C ATOM 782 CG PRO B 41 -12.856 7.565 -53.135 1.00 0.00 C ATOM 783 CD PRO B 41 -12.886 6.250 -52.402 1.00 0.00 C ATOM 0 HA PRO B 41 -9.954 7.258 -52.961 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -12.161 8.803 -51.527 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -11.424 9.161 -53.076 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -13.820 8.071 -53.082 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -12.627 7.426 -54.192 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -13.566 6.275 -51.551 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -13.212 5.433 -53.046 1.00 0.00 H new ATOM 791 N THR B 42 -10.490 7.459 -49.751 1.00 0.00 N ATOM 792 CA THR B 42 -9.807 7.690 -48.484 1.00 0.00 C ATOM 793 C THR B 42 -8.683 6.683 -48.273 1.00 0.00 C ATOM 794 O THR B 42 -7.585 7.045 -47.849 1.00 0.00 O ATOM 795 CB THR B 42 -10.793 7.619 -47.302 1.00 0.00 C ATOM 796 OG1 THR B 42 -11.801 8.626 -47.457 1.00 0.00 O ATOM 797 CG2 THR B 42 -10.063 7.836 -45.985 1.00 0.00 C ATOM 0 H THR B 42 -11.446 7.116 -49.657 1.00 0.00 H new ATOM 0 HA THR B 42 -9.378 8.691 -48.526 1.00 0.00 H new ATOM 0 HB THR B 42 -11.254 6.632 -47.291 1.00 0.00 H new ATOM 0 HG1 THR B 42 -12.561 8.255 -47.952 1.00 0.00 H new ATOM 0 HG21 THR B 42 -10.775 7.783 -45.161 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.303 7.065 -45.859 1.00 0.00 H new ATOM 0 HG23 THR B 42 -9.587 8.817 -45.990 1.00 0.00 H new ATOM 805 N LEU B 43 -8.964 5.420 -48.571 1.00 0.00 N ATOM 806 CA LEU B 43 -7.974 4.360 -48.420 1.00 0.00 C ATOM 807 C LEU B 43 -6.803 4.558 -49.372 1.00 0.00 C ATOM 808 O LEU B 43 -5.681 4.137 -49.089 1.00 0.00 O ATOM 809 CB LEU B 43 -8.621 2.992 -48.673 1.00 0.00 C ATOM 810 CG LEU B 43 -9.624 2.523 -47.612 1.00 0.00 C ATOM 811 CD1 LEU B 43 -10.276 1.224 -48.067 1.00 0.00 C ATOM 812 CD2 LEU B 43 -8.907 2.338 -46.282 1.00 0.00 C ATOM 0 H LEU B 43 -9.870 5.105 -48.919 1.00 0.00 H new ATOM 0 HA LEU B 43 -7.596 4.400 -47.399 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.129 3.024 -49.637 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -7.830 2.246 -48.753 1.00 0.00 H new ATOM 0 HG LEU B 43 -10.405 3.272 -47.481 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -10.989 0.891 -47.313 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -10.797 1.389 -49.010 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -9.510 0.461 -48.204 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -9.620 2.005 -45.528 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -8.121 1.591 -46.393 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -8.466 3.285 -45.971 1.00 0.00 H new ATOM 824 N ARG B 44 -7.069 5.203 -50.503 1.00 0.00 N ATOM 825 CA ARG B 44 -6.020 5.539 -51.459 1.00 0.00 C ATOM 826 C ARG B 44 -4.968 6.441 -50.829 1.00 0.00 C ATOM 827 O ARG B 44 -3.768 6.210 -50.977 1.00 0.00 O ATOM 828 CB ARG B 44 -6.610 6.228 -52.680 1.00 0.00 C ATOM 829 CG ARG B 44 -7.452 5.333 -53.576 1.00 0.00 C ATOM 830 CD ARG B 44 -8.073 6.097 -54.688 1.00 0.00 C ATOM 831 NE ARG B 44 -9.118 5.335 -55.352 1.00 0.00 N ATOM 832 CZ ARG B 44 -10.046 5.862 -56.174 1.00 0.00 C ATOM 833 NH1 ARG B 44 -10.045 7.153 -56.423 1.00 0.00 N ATOM 834 NH2 ARG B 44 -10.956 5.083 -56.731 1.00 0.00 N ATOM 0 H ARG B 44 -8.003 5.504 -50.780 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.544 4.607 -51.764 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -7.224 7.064 -52.346 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -5.796 6.647 -53.271 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -6.829 4.537 -53.985 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -8.232 4.855 -52.983 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -8.491 7.026 -54.301 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -7.306 6.370 -55.413 1.00 0.00 H new ATOM 0 HE ARG B 44 -9.151 4.330 -55.183 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -9.342 7.755 -55.994 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -10.747 7.553 -57.045 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -10.956 4.081 -56.539 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -11.658 5.483 -57.353 1.00 0.00 H new ATOM 848 N LYS B 45 -5.424 7.472 -50.125 1.00 0.00 N ATOM 849 CA LYS B 45 -4.526 8.360 -49.396 1.00 0.00 C ATOM 850 C LYS B 45 -3.806 7.617 -48.278 1.00 0.00 C ATOM 851 O LYS B 45 -2.619 7.841 -48.037 1.00 0.00 O ATOM 852 CB LYS B 45 -5.298 9.551 -48.824 1.00 0.00 C ATOM 853 CG LYS B 45 -5.804 10.534 -49.871 1.00 0.00 C ATOM 854 CD LYS B 45 -6.584 11.671 -49.229 1.00 0.00 C ATOM 855 CE LYS B 45 -7.107 12.645 -50.275 1.00 0.00 C ATOM 856 NZ LYS B 45 -7.901 13.745 -49.665 1.00 0.00 N ATOM 0 H LYS B 45 -6.412 7.713 -50.044 1.00 0.00 H new ATOM 0 HA LYS B 45 -3.778 8.728 -50.098 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -6.148 9.177 -48.253 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -4.654 10.084 -48.124 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -4.961 10.939 -50.431 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -6.440 10.012 -50.586 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -7.419 11.265 -48.658 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -5.944 12.201 -48.524 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -6.268 13.067 -50.829 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -7.725 12.107 -50.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -8.238 14.385 -50.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -8.716 13.345 -49.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -7.305 14.275 -48.998 1.00 0.00 H new ATOM 870 N GLU B 46 -4.528 6.733 -47.599 1.00 0.00 N ATOM 871 CA GLU B 46 -3.937 5.893 -46.565 1.00 0.00 C ATOM 872 C GLU B 46 -2.813 5.034 -47.129 1.00 0.00 C ATOM 873 O GLU B 46 -1.759 4.890 -46.510 1.00 0.00 O ATOM 874 CB GLU B 46 -5.001 5.017 -45.922 1.00 0.00 C ATOM 0 H GLU B 46 -5.526 6.580 -47.747 1.00 0.00 H new ATOM 0 HA GLU B 46 -3.511 6.546 -45.803 1.00 0.00 H new ATOM 879 N LEU B 47 -3.045 4.463 -48.306 1.00 0.00 N ATOM 880 CA LEU B 47 -2.039 3.646 -48.973 1.00 0.00 C ATOM 881 C LEU B 47 -0.829 4.480 -49.374 1.00 0.00 C ATOM 882 O LEU B 47 0.311 4.024 -49.276 1.00 0.00 O ATOM 883 CB LEU B 47 -2.639 2.974 -50.215 1.00 0.00 C ATOM 884 CG LEU B 47 -3.672 1.874 -49.943 1.00 0.00 C ATOM 885 CD1 LEU B 47 -4.365 1.495 -51.244 1.00 0.00 C ATOM 886 CD2 LEU B 47 -2.981 0.671 -49.320 1.00 0.00 C ATOM 0 H LEU B 47 -3.923 4.551 -48.818 1.00 0.00 H new ATOM 0 HA LEU B 47 -1.711 2.880 -48.270 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -3.107 3.742 -50.830 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.826 2.546 -50.802 1.00 0.00 H new ATOM 0 HG LEU B 47 -4.427 2.236 -49.245 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -5.099 0.713 -51.051 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -4.867 2.370 -51.657 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -3.626 1.130 -51.957 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -3.716 -0.111 -49.127 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -2.221 0.294 -50.004 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -2.511 0.967 -48.382 1.00 0.00 H new ATOM 898 N MET B 48 -1.083 5.703 -49.826 1.00 0.00 N ATOM 899 CA MET B 48 -0.011 6.632 -50.166 1.00 0.00 C ATOM 900 C MET B 48 0.892 6.892 -48.968 1.00 0.00 C ATOM 901 O MET B 48 2.117 6.895 -49.091 1.00 0.00 O ATOM 902 CB MET B 48 -0.596 7.943 -50.688 1.00 0.00 C ATOM 903 CG MET B 48 0.432 8.903 -51.269 1.00 0.00 C ATOM 904 SD MET B 48 -0.319 10.387 -51.968 1.00 0.00 S ATOM 905 CE MET B 48 -1.064 9.721 -53.453 1.00 0.00 C ATOM 0 H MET B 48 -2.023 6.075 -49.966 1.00 0.00 H new ATOM 0 HA MET B 48 0.596 6.179 -50.950 1.00 0.00 H new ATOM 0 HB2 MET B 48 -1.337 7.716 -51.454 1.00 0.00 H new ATOM 0 HB3 MET B 48 -1.122 8.442 -49.874 1.00 0.00 H new ATOM 0 HG2 MET B 48 1.137 9.190 -50.489 1.00 0.00 H new ATOM 0 HG3 MET B 48 1.004 8.391 -52.043 1.00 0.00 H new ATOM 0 HE1 MET B 48 -0.993 10.454 -54.256 1.00 0.00 H new ATOM 0 HE2 MET B 48 -0.541 8.811 -53.746 1.00 0.00 H new ATOM 0 HE3 MET B 48 -2.113 9.492 -53.263 1.00 0.00 H new ATOM 915 N GLU B 49 0.282 7.113 -47.809 1.00 0.00 N ATOM 916 CA GLU B 49 1.028 7.258 -46.565 1.00 0.00 C ATOM 917 C GLU B 49 1.889 6.032 -46.292 1.00 0.00 C ATOM 918 O GLU B 49 3.068 6.151 -45.959 1.00 0.00 O ATOM 919 CB GLU B 49 0.072 7.493 -45.393 1.00 0.00 C ATOM 920 CG GLU B 49 0.756 7.636 -44.042 1.00 0.00 C ATOM 921 CD GLU B 49 -0.213 7.859 -42.915 1.00 0.00 C ATOM 922 OE1 GLU B 49 -1.389 7.950 -43.177 1.00 0.00 O ATOM 923 OE2 GLU B 49 0.222 7.937 -41.790 1.00 0.00 O ATOM 0 H GLU B 49 -0.729 7.196 -47.705 1.00 0.00 H new ATOM 0 HA GLU B 49 1.685 8.122 -46.670 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -0.509 8.394 -45.589 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -0.633 6.663 -45.343 1.00 0.00 H new ATOM 0 HG2 GLU B 49 1.340 6.738 -43.840 1.00 0.00 H new ATOM 0 HG3 GLU B 49 1.457 8.470 -44.082 1.00 0.00 H new ATOM 930 N VAL B 50 1.293 4.853 -46.436 1.00 0.00 N ATOM 931 CA VAL B 50 1.998 3.603 -46.180 1.00 0.00 C ATOM 932 C VAL B 50 3.202 3.450 -47.101 1.00 0.00 C ATOM 933 O VAL B 50 4.263 2.991 -46.679 1.00 0.00 O ATOM 934 CB VAL B 50 1.050 2.404 -46.377 1.00 0.00 C ATOM 935 CG1 VAL B 50 1.829 1.099 -46.357 1.00 0.00 C ATOM 936 CG2 VAL B 50 -0.022 2.409 -45.297 1.00 0.00 C ATOM 0 H VAL B 50 0.323 4.737 -46.729 1.00 0.00 H new ATOM 0 HA VAL B 50 2.349 3.627 -45.148 1.00 0.00 H new ATOM 0 HB VAL B 50 0.566 2.492 -47.350 1.00 0.00 H new ATOM 0 HG11 VAL B 50 1.143 0.264 -46.498 1.00 0.00 H new ATOM 0 HG12 VAL B 50 2.566 1.103 -47.160 1.00 0.00 H new ATOM 0 HG13 VAL B 50 2.338 0.994 -45.399 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -0.689 1.559 -45.442 1.00 0.00 H new ATOM 0 HG22 VAL B 50 0.449 2.338 -44.317 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -0.595 3.334 -45.358 1.00 0.00 H new ATOM 946 N LEU B 51 3.029 3.836 -48.360 1.00 0.00 N ATOM 947 CA LEU B 51 4.114 3.781 -49.334 1.00 0.00 C ATOM 948 C LEU B 51 5.223 4.763 -48.979 1.00 0.00 C ATOM 949 O LEU B 51 6.406 4.437 -49.066 1.00 0.00 O ATOM 950 CB LEU B 51 3.580 4.087 -50.739 1.00 0.00 C ATOM 951 CG LEU B 51 2.662 3.021 -51.349 1.00 0.00 C ATOM 952 CD1 LEU B 51 1.900 3.618 -52.525 1.00 0.00 C ATOM 953 CD2 LEU B 51 3.494 1.824 -51.787 1.00 0.00 C ATOM 0 H LEU B 51 2.147 4.191 -48.731 1.00 0.00 H new ATOM 0 HA LEU B 51 4.530 2.773 -49.316 1.00 0.00 H new ATOM 0 HB2 LEU B 51 3.036 5.031 -50.703 1.00 0.00 H new ATOM 0 HB3 LEU B 51 4.429 4.234 -51.406 1.00 0.00 H new ATOM 0 HG LEU B 51 1.939 2.684 -50.607 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.248 2.860 -52.958 1.00 0.00 H new ATOM 0 HD12 LEU B 51 1.299 4.459 -52.180 1.00 0.00 H new ATOM 0 HD13 LEU B 51 2.607 3.962 -53.280 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.841 1.066 -52.221 1.00 0.00 H new ATOM 0 HD22 LEU B 51 4.225 2.142 -52.530 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.012 1.406 -50.924 1.00 0.00 H new ATOM 965 N SER B 52 4.832 5.969 -48.580 1.00 0.00 N ATOM 966 CA SER B 52 5.792 7.004 -48.217 1.00 0.00 C ATOM 967 C SER B 52 6.707 6.538 -47.092 1.00 0.00 C ATOM 968 O SER B 52 7.884 6.894 -47.047 1.00 0.00 O ATOM 969 CB SER B 52 5.066 8.267 -47.799 1.00 0.00 C ATOM 970 OG SER B 52 5.971 9.301 -47.527 1.00 0.00 O ATOM 0 H SER B 52 3.856 6.253 -48.500 1.00 0.00 H new ATOM 0 HA SER B 52 6.406 7.213 -49.093 1.00 0.00 H new ATOM 0 HB2 SER B 52 4.382 8.576 -48.590 1.00 0.00 H new ATOM 0 HB3 SER B 52 4.461 8.067 -46.915 1.00 0.00 H new ATOM 0 HG SER B 52 6.661 9.323 -48.222 1.00 0.00 H new ATOM 976 N LYS B 53 6.158 5.738 -46.184 1.00 0.00 N ATOM 977 CA LYS B 53 6.883 5.325 -44.988 1.00 0.00 C ATOM 978 C LYS B 53 7.673 4.046 -45.237 1.00 0.00 C ATOM 979 O LYS B 53 8.747 3.847 -44.669 1.00 0.00 O ATOM 980 CB LYS B 53 5.919 5.129 -43.818 1.00 0.00 C ATOM 981 CG LYS B 53 5.283 6.414 -43.305 1.00 0.00 C ATOM 982 CD LYS B 53 4.289 6.131 -42.188 1.00 0.00 C ATOM 983 CE LYS B 53 3.675 7.417 -41.654 1.00 0.00 C ATOM 984 NZ LYS B 53 2.640 7.150 -40.619 1.00 0.00 N ATOM 0 H LYS B 53 5.212 5.362 -46.254 1.00 0.00 H new ATOM 0 HA LYS B 53 7.588 6.117 -44.736 1.00 0.00 H new ATOM 0 HB2 LYS B 53 5.129 4.444 -44.125 1.00 0.00 H new ATOM 0 HB3 LYS B 53 6.455 4.650 -42.998 1.00 0.00 H new ATOM 0 HG2 LYS B 53 6.060 7.087 -42.942 1.00 0.00 H new ATOM 0 HG3 LYS B 53 4.777 6.924 -44.125 1.00 0.00 H new ATOM 0 HD2 LYS B 53 3.501 5.475 -42.558 1.00 0.00 H new ATOM 0 HD3 LYS B 53 4.790 5.601 -41.378 1.00 0.00 H new ATOM 0 HE2 LYS B 53 4.459 8.045 -41.230 1.00 0.00 H new ATOM 0 HE3 LYS B 53 3.230 7.976 -42.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 1.700 7.381 -41.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 2.668 6.145 -40.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 2.827 7.737 -39.781 1.00 0.00 H new ATOM 998 N TYR B 54 7.134 3.180 -46.089 1.00 0.00 N ATOM 999 CA TYR B 54 7.758 1.893 -46.371 1.00 0.00 C ATOM 1000 C TYR B 54 8.947 2.052 -47.309 1.00 0.00 C ATOM 1001 O TYR B 54 10.100 1.920 -46.894 1.00 0.00 O ATOM 1002 CB TYR B 54 6.738 0.923 -46.968 1.00 0.00 C ATOM 1003 CG TYR B 54 5.818 0.297 -45.943 1.00 0.00 C ATOM 1004 CD1 TYR B 54 5.751 0.820 -44.659 1.00 0.00 C ATOM 1005 CD2 TYR B 54 5.040 -0.799 -46.286 1.00 0.00 C ATOM 1006 CE1 TYR B 54 4.911 0.249 -43.723 1.00 0.00 C ATOM 1007 CE2 TYR B 54 4.200 -1.370 -45.349 1.00 0.00 C ATOM 1008 CZ TYR B 54 4.134 -0.850 -44.073 1.00 0.00 C ATOM 1009 OH TYR B 54 3.297 -1.418 -43.140 1.00 0.00 O ATOM 0 H TYR B 54 6.265 3.347 -46.597 1.00 0.00 H new ATOM 0 HA TYR B 54 8.122 1.484 -45.429 1.00 0.00 H new ATOM 0 HB2 TYR B 54 6.137 1.452 -47.707 1.00 0.00 H new ATOM 0 HB3 TYR B 54 7.269 0.132 -47.497 1.00 0.00 H new ATOM 0 HD1 TYR B 54 6.356 1.674 -44.392 1.00 0.00 H new ATOM 0 HD2 TYR B 54 5.091 -1.206 -47.285 1.00 0.00 H new ATOM 0 HE1 TYR B 54 4.858 0.654 -42.723 1.00 0.00 H new ATOM 0 HE2 TYR B 54 3.595 -2.224 -45.616 1.00 0.00 H new ATOM 0 HH TYR B 54 2.823 -2.175 -43.543 1.00 0.00 H new ATOM 1019 N VAL B 55 8.662 2.335 -48.575 1.00 0.00 N ATOM 1020 CA VAL B 55 9.651 2.185 -49.636 1.00 0.00 C ATOM 1021 C VAL B 55 10.442 3.472 -49.838 1.00 0.00 C ATOM 1022 O VAL B 55 11.238 3.583 -50.770 1.00 0.00 O ATOM 1023 CB VAL B 55 8.963 1.797 -50.957 1.00 0.00 C ATOM 1024 CG1 VAL B 55 8.194 0.494 -50.794 1.00 0.00 C ATOM 1025 CG2 VAL B 55 8.039 2.916 -51.409 1.00 0.00 C ATOM 0 H VAL B 55 7.752 2.670 -48.892 1.00 0.00 H new ATOM 0 HA VAL B 55 10.340 1.395 -49.337 1.00 0.00 H new ATOM 0 HB VAL B 55 9.725 1.646 -51.721 1.00 0.00 H new ATOM 0 HG11 VAL B 55 7.714 0.234 -51.737 1.00 0.00 H new ATOM 0 HG12 VAL B 55 8.882 -0.301 -50.506 1.00 0.00 H new ATOM 0 HG13 VAL B 55 7.435 0.614 -50.021 1.00 0.00 H new ATOM 0 HG21 VAL B 55 7.556 2.634 -52.344 1.00 0.00 H new ATOM 0 HG22 VAL B 55 7.280 3.091 -50.647 1.00 0.00 H new ATOM 0 HG23 VAL B 55 8.618 3.827 -51.560 1.00 0.00 H new ATOM 1035 N ASN B 56 10.218 4.442 -48.958 1.00 0.00 N ATOM 1036 CA ASN B 56 11.032 5.652 -48.928 1.00 0.00 C ATOM 1037 C ASN B 56 10.736 6.543 -50.128 1.00 0.00 C ATOM 1038 O ASN B 56 11.474 6.537 -51.114 1.00 0.00 O ATOM 1039 CB ASN B 56 12.508 5.302 -48.873 1.00 0.00 C ATOM 1040 CG ASN B 56 13.358 6.458 -48.425 1.00 0.00 C ATOM 1041 OD1 ASN B 56 12.897 7.333 -47.684 1.00 0.00 O ATOM 1042 ND2 ASN B 56 14.592 6.478 -48.860 1.00 0.00 N ATOM 0 H ASN B 56 9.479 4.414 -48.256 1.00 0.00 H new ATOM 0 HA ASN B 56 10.775 6.207 -48.026 1.00 0.00 H new ATOM 0 HB2 ASN B 56 12.654 4.463 -48.193 1.00 0.00 H new ATOM 0 HB3 ASN B 56 12.837 4.974 -49.859 1.00 0.00 H new ATOM 0 HD21 ASN B 56 15.216 7.238 -48.589 1.00 0.00 H new ATOM 0 HD22 ASN B 56 14.930 5.734 -49.470 1.00 0.00 H new ATOM 1049 N VAL B 57 9.655 7.308 -50.039 1.00 0.00 N ATOM 1050 CA VAL B 57 9.164 8.078 -51.176 1.00 0.00 C ATOM 1051 C VAL B 57 8.231 9.194 -50.724 1.00 0.00 C ATOM 1052 O VAL B 57 7.544 9.071 -49.710 1.00 0.00 O ATOM 1053 CB VAL B 57 8.419 7.158 -52.162 1.00 0.00 C ATOM 1054 CG1 VAL B 57 7.169 6.584 -51.513 1.00 0.00 C ATOM 1055 CG2 VAL B 57 8.066 7.930 -53.424 1.00 0.00 C ATOM 0 H VAL B 57 9.100 7.412 -49.189 1.00 0.00 H new ATOM 0 HA VAL B 57 10.026 8.524 -51.672 1.00 0.00 H new ATOM 0 HB VAL B 57 9.071 6.327 -52.433 1.00 0.00 H new ATOM 0 HG11 VAL B 57 6.655 5.937 -52.223 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.449 6.006 -50.632 1.00 0.00 H new ATOM 0 HG13 VAL B 57 6.506 7.397 -51.218 1.00 0.00 H new ATOM 0 HG21 VAL B 57 7.539 7.274 -54.117 1.00 0.00 H new ATOM 0 HG22 VAL B 57 7.426 8.774 -53.167 1.00 0.00 H new ATOM 0 HG23 VAL B 57 8.979 8.296 -53.894 1.00 0.00 H new ATOM 1065 N SER B 58 8.212 10.285 -51.483 1.00 0.00 N ATOM 1066 CA SER B 58 7.394 11.442 -51.140 1.00 0.00 C ATOM 1067 C SER B 58 6.036 11.380 -51.826 1.00 0.00 C ATOM 1068 O SER B 58 5.834 10.597 -52.755 1.00 0.00 O ATOM 1069 CB SER B 58 8.110 12.721 -51.531 1.00 0.00 C ATOM 1070 OG SER B 58 8.149 12.869 -52.924 1.00 0.00 O ATOM 0 H SER B 58 8.754 10.392 -52.340 1.00 0.00 H new ATOM 0 HA SER B 58 7.233 11.432 -50.062 1.00 0.00 H new ATOM 0 HB2 SER B 58 7.603 13.577 -51.085 1.00 0.00 H new ATOM 0 HB3 SER B 58 9.125 12.709 -51.134 1.00 0.00 H new ATOM 0 HG SER B 58 8.614 13.701 -53.152 1.00 0.00 H new ATOM 1076 N LEU B 59 5.106 12.208 -51.363 1.00 0.00 N ATOM 1077 CA LEU B 59 3.741 12.192 -51.875 1.00 0.00 C ATOM 1078 C LEU B 59 3.707 12.519 -53.362 1.00 0.00 C ATOM 1079 O LEU B 59 2.941 11.924 -54.121 1.00 0.00 O ATOM 1080 CB LEU B 59 2.873 13.194 -51.104 1.00 0.00 C ATOM 1081 CG LEU B 59 2.676 12.895 -49.613 1.00 0.00 C ATOM 1082 CD1 LEU B 59 1.925 14.046 -48.958 1.00 0.00 C ATOM 1083 CD2 LEU B 59 1.917 11.586 -49.454 1.00 0.00 C ATOM 0 H LEU B 59 5.273 12.900 -50.633 1.00 0.00 H new ATOM 0 HA LEU B 59 3.343 11.187 -51.735 1.00 0.00 H new ATOM 0 HB2 LEU B 59 3.320 14.184 -51.201 1.00 0.00 H new ATOM 0 HB3 LEU B 59 1.893 13.239 -51.579 1.00 0.00 H new ATOM 0 HG LEU B 59 3.644 12.793 -49.122 1.00 0.00 H new ATOM 0 HD11 LEU B 59 1.785 13.833 -47.898 1.00 0.00 H new ATOM 0 HD12 LEU B 59 2.499 14.966 -49.071 1.00 0.00 H new ATOM 0 HD13 LEU B 59 0.952 14.164 -49.436 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.777 11.373 -48.394 1.00 0.00 H new ATOM 0 HD22 LEU B 59 0.945 11.668 -49.939 1.00 0.00 H new ATOM 0 HD23 LEU B 59 2.485 10.778 -49.914 1.00 0.00 H new ATOM 1095 N ASP B 60 4.541 13.467 -53.773 1.00 0.00 N ATOM 1096 CA ASP B 60 4.569 13.914 -55.161 1.00 0.00 C ATOM 1097 C ASP B 60 5.043 12.802 -56.088 1.00 0.00 C ATOM 1098 O ASP B 60 4.821 12.853 -57.298 1.00 0.00 O ATOM 1099 CB ASP B 60 5.480 15.136 -55.313 1.00 0.00 C ATOM 1100 CG ASP B 60 4.897 16.391 -54.679 1.00 0.00 C ATOM 1101 OD1 ASP B 60 3.721 16.402 -54.401 1.00 0.00 O ATOM 1102 OD2 ASP B 60 5.633 17.328 -54.479 1.00 0.00 O ATOM 0 H ASP B 60 5.208 13.942 -53.164 1.00 0.00 H new ATOM 0 HA ASP B 60 3.552 14.188 -55.441 1.00 0.00 H new ATOM 0 HB2 ASP B 60 6.447 14.921 -54.858 1.00 0.00 H new ATOM 0 HB3 ASP B 60 5.659 15.320 -56.372 1.00 0.00 H new ATOM 1107 N ASN B 61 5.696 11.798 -55.514 1.00 0.00 N ATOM 1108 CA ASN B 61 6.293 10.724 -56.299 1.00 0.00 C ATOM 1109 C ASN B 61 5.423 9.473 -56.272 1.00 0.00 C ATOM 1110 O ASN B 61 5.865 8.390 -56.654 1.00 0.00 O ATOM 1111 CB ASN B 61 7.692 10.412 -55.800 1.00 0.00 C ATOM 1112 CG ASN B 61 8.687 11.476 -56.168 1.00 0.00 C ATOM 1113 OD1 ASN B 61 8.997 11.673 -57.348 1.00 0.00 O ATOM 1114 ND2 ASN B 61 9.196 12.167 -55.179 1.00 0.00 N ATOM 0 H ASN B 61 5.826 11.705 -54.507 1.00 0.00 H new ATOM 0 HA ASN B 61 6.361 11.063 -57.333 1.00 0.00 H new ATOM 0 HB2 ASN B 61 7.670 10.299 -54.716 1.00 0.00 H new ATOM 0 HB3 ASN B 61 8.017 9.457 -56.214 1.00 0.00 H new ATOM 0 HD21 ASN B 61 9.877 12.902 -55.368 1.00 0.00 H new ATOM 0 HD22 ASN B 61 8.911 11.970 -54.220 1.00 0.00 H new ATOM 1121 N ILE B 62 4.184 9.631 -55.819 1.00 0.00 N ATOM 1122 CA ILE B 62 3.219 8.538 -55.832 1.00 0.00 C ATOM 1123 C ILE B 62 2.001 8.890 -56.676 1.00 0.00 C ATOM 1124 O ILE B 62 1.439 9.979 -56.551 1.00 0.00 O ATOM 1125 CB ILE B 62 2.770 8.185 -54.403 1.00 0.00 C ATOM 1126 CG1 ILE B 62 3.971 7.754 -53.557 1.00 0.00 C ATOM 1127 CG2 ILE B 62 1.715 7.090 -54.432 1.00 0.00 C ATOM 1128 CD1 ILE B 62 3.663 7.626 -52.082 1.00 0.00 C ATOM 0 H ILE B 62 3.824 10.506 -55.438 1.00 0.00 H new ATOM 0 HA ILE B 62 3.714 7.673 -56.273 1.00 0.00 H new ATOM 0 HB ILE B 62 2.330 9.073 -53.949 1.00 0.00 H new ATOM 0 HG12 ILE B 62 4.339 6.797 -53.926 1.00 0.00 H new ATOM 0 HG13 ILE B 62 4.775 8.478 -53.689 1.00 0.00 H new ATOM 0 HG21 ILE B 62 1.409 6.853 -53.413 1.00 0.00 H new ATOM 0 HG22 ILE B 62 0.850 7.433 -55.000 1.00 0.00 H new ATOM 0 HG23 ILE B 62 2.129 6.199 -54.903 1.00 0.00 H new ATOM 0 HD11 ILE B 62 4.562 7.317 -51.548 1.00 0.00 H new ATOM 0 HD12 ILE B 62 3.324 8.587 -51.696 1.00 0.00 H new ATOM 0 HD13 ILE B 62 2.881 6.881 -51.937 1.00 0.00 H new ATOM 1140 N ARG B 63 1.595 7.961 -57.536 1.00 0.00 N ATOM 1141 CA ARG B 63 0.359 8.108 -58.296 1.00 0.00 C ATOM 1142 C ARG B 63 -0.597 6.954 -58.022 1.00 0.00 C ATOM 1143 O ARG B 63 -0.244 5.788 -58.198 1.00 0.00 O ATOM 1144 CB ARG B 63 0.652 8.176 -59.787 1.00 0.00 C ATOM 1145 CG ARG B 63 1.480 9.375 -60.222 1.00 0.00 C ATOM 1146 CD ARG B 63 0.719 10.644 -60.093 1.00 0.00 C ATOM 1147 NE ARG B 63 1.500 11.792 -60.523 1.00 0.00 N ATOM 1148 CZ ARG B 63 2.339 12.487 -59.730 1.00 0.00 C ATOM 1149 NH1 ARG B 63 2.493 12.140 -58.472 1.00 0.00 N ATOM 1150 NH2 ARG B 63 3.006 13.519 -60.218 1.00 0.00 N ATOM 0 H ARG B 63 2.105 7.098 -57.724 1.00 0.00 H new ATOM 0 HA ARG B 63 -0.112 9.038 -57.977 1.00 0.00 H new ATOM 0 HB2 ARG B 63 1.174 7.266 -60.082 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -0.294 8.190 -60.328 1.00 0.00 H new ATOM 0 HG2 ARG B 63 2.385 9.431 -59.618 1.00 0.00 H new ATOM 0 HG3 ARG B 63 1.795 9.243 -61.257 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -0.193 10.582 -60.687 1.00 0.00 H new ATOM 0 HD3 ARG B 63 0.414 10.781 -59.055 1.00 0.00 H new ATOM 0 HE ARG B 63 1.406 12.093 -61.493 1.00 0.00 H new ATOM 0 HH11 ARG B 63 1.977 11.344 -58.096 1.00 0.00 H new ATOM 0 HH12 ARG B 63 3.128 12.666 -57.872 1.00 0.00 H new ATOM 0 HH21 ARG B 63 2.885 13.789 -61.194 1.00 0.00 H new ATOM 0 HH22 ARG B 63 3.641 14.045 -59.618 1.00 0.00 H new ATOM 1164 N ILE B 64 -1.809 7.287 -57.590 1.00 0.00 N ATOM 1165 CA ILE B 64 -2.826 6.280 -57.314 1.00 0.00 C ATOM 1166 C ILE B 64 -4.119 6.585 -58.059 1.00 0.00 C ATOM 1167 O ILE B 64 -4.657 7.688 -57.963 1.00 0.00 O ATOM 1168 CB ILE B 64 -3.112 6.188 -55.804 1.00 0.00 C ATOM 1169 CG1 ILE B 64 -1.837 5.826 -55.040 1.00 0.00 C ATOM 1170 CG2 ILE B 64 -4.207 5.167 -55.531 1.00 0.00 C ATOM 1171 CD1 ILE B 64 -1.994 5.861 -53.536 1.00 0.00 C ATOM 0 H ILE B 64 -2.110 8.247 -57.424 1.00 0.00 H new ATOM 0 HA ILE B 64 -2.438 5.323 -57.662 1.00 0.00 H new ATOM 0 HB ILE B 64 -3.456 7.162 -55.457 1.00 0.00 H new ATOM 0 HG12 ILE B 64 -1.517 4.828 -55.339 1.00 0.00 H new ATOM 0 HG13 ILE B 64 -1.044 6.515 -55.329 1.00 0.00 H new ATOM 0 HG21 ILE B 64 -4.397 5.115 -54.459 1.00 0.00 H new ATOM 0 HG22 ILE B 64 -5.120 5.466 -56.047 1.00 0.00 H new ATOM 0 HG23 ILE B 64 -3.890 4.188 -55.892 1.00 0.00 H new ATOM 0 HD11 ILE B 64 -1.048 5.593 -53.065 1.00 0.00 H new ATOM 0 HD12 ILE B 64 -2.283 6.864 -53.224 1.00 0.00 H new ATOM 0 HD13 ILE B 64 -2.764 5.151 -53.234 1.00 0.00 H new ATOM 1183 N SER B 65 -4.615 5.602 -58.801 1.00 0.00 N ATOM 1184 CA SER B 65 -5.819 5.778 -59.603 1.00 0.00 C ATOM 1185 C SER B 65 -6.514 4.446 -59.856 1.00 0.00 C ATOM 1186 O SER B 65 -5.861 3.412 -59.997 1.00 0.00 O ATOM 1187 CB SER B 65 -5.475 6.438 -60.924 1.00 0.00 C ATOM 1188 OG SER B 65 -6.619 6.607 -61.714 1.00 0.00 O ATOM 0 H SER B 65 -4.200 4.672 -58.864 1.00 0.00 H new ATOM 0 HA SER B 65 -6.502 6.419 -59.046 1.00 0.00 H new ATOM 0 HB2 SER B 65 -5.009 7.406 -60.740 1.00 0.00 H new ATOM 0 HB3 SER B 65 -4.746 5.830 -61.459 1.00 0.00 H new ATOM 0 HG SER B 65 -6.372 7.036 -62.560 1.00 0.00 H new ATOM 1194 N GLN B 66 -7.841 4.478 -59.913 1.00 0.00 N ATOM 1195 CA GLN B 66 -8.628 3.269 -60.129 1.00 0.00 C ATOM 1196 C GLN B 66 -9.362 3.322 -61.463 1.00 0.00 C ATOM 1197 O GLN B 66 -9.904 4.359 -61.844 1.00 0.00 O ATOM 1198 CB GLN B 66 -9.629 3.071 -58.989 1.00 0.00 C ATOM 1199 CG GLN B 66 -10.412 1.771 -59.067 1.00 0.00 C ATOM 1200 CD GLN B 66 -11.146 1.459 -57.777 1.00 0.00 C ATOM 1201 OE1 GLN B 66 -11.488 2.361 -57.007 1.00 0.00 O ATOM 1202 NE2 GLN B 66 -11.392 0.177 -57.533 1.00 0.00 N ATOM 0 H GLN B 66 -8.395 5.329 -59.813 1.00 0.00 H new ATOM 0 HA GLN B 66 -7.941 2.423 -60.149 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -9.093 3.103 -58.040 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -10.331 3.905 -58.987 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -11.130 1.831 -59.885 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -9.730 0.953 -59.301 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -11.091 -0.536 -58.198 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -11.882 -0.095 -56.681 1.00 0.00 H new ATOM 1211 N GLU B 67 -9.376 2.196 -62.169 1.00 0.00 N ATOM 1212 CA GLU B 67 -9.917 2.148 -63.523 1.00 0.00 C ATOM 1213 C GLU B 67 -10.743 0.888 -63.740 1.00 0.00 C ATOM 1214 O GLU B 67 -10.390 -0.189 -63.259 1.00 0.00 O ATOM 1215 CB GLU B 67 -8.785 2.212 -64.552 1.00 0.00 C ATOM 1216 CG GLU B 67 -9.255 2.254 -65.999 1.00 0.00 C ATOM 1217 CD GLU B 67 -8.122 2.407 -66.976 1.00 0.00 C ATOM 1218 OE1 GLU B 67 -6.995 2.456 -66.547 1.00 0.00 O ATOM 1219 OE2 GLU B 67 -8.386 2.474 -68.154 1.00 0.00 O ATOM 0 H GLU B 67 -9.019 1.304 -61.826 1.00 0.00 H new ATOM 0 HA GLU B 67 -10.568 3.012 -63.653 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -8.179 3.096 -64.353 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -8.138 1.345 -64.417 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -9.802 1.339 -66.225 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -9.952 3.082 -66.126 1.00 0.00 H new ATOM 1226 N LYS B 68 -11.846 1.028 -64.468 1.00 0.00 N ATOM 1227 CA LYS B 68 -12.768 -0.081 -64.685 1.00 0.00 C ATOM 1228 C LYS B 68 -12.194 -1.088 -65.675 1.00 0.00 C ATOM 1229 O LYS B 68 -11.834 -0.733 -66.797 1.00 0.00 O ATOM 1230 CB LYS B 68 -14.119 0.434 -65.183 1.00 0.00 C ATOM 1231 CG LYS B 68 -15.180 -0.644 -65.351 1.00 0.00 C ATOM 1232 CD LYS B 68 -16.517 -0.046 -65.762 1.00 0.00 C ATOM 1233 CE LYS B 68 -17.578 -1.122 -65.933 1.00 0.00 C ATOM 1234 NZ LYS B 68 -18.896 -0.549 -66.320 1.00 0.00 N ATOM 0 H LYS B 68 -12.123 1.900 -64.918 1.00 0.00 H new ATOM 0 HA LYS B 68 -12.913 -0.586 -63.730 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -14.488 1.184 -64.484 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -13.973 0.935 -66.140 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -14.855 -1.363 -66.103 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -15.296 -1.191 -64.416 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -16.843 0.672 -65.009 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -16.400 0.503 -66.696 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -17.254 -1.833 -66.693 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -17.684 -1.678 -65.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -19.590 -1.316 -66.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -19.218 0.110 -65.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -18.802 -0.040 -67.222 1.00 0.00 H new ATOM 1248 N GLN B 69 -12.113 -2.344 -65.252 1.00 0.00 N ATOM 1249 CA GLN B 69 -11.699 -3.426 -66.138 1.00 0.00 C ATOM 1250 C GLN B 69 -12.711 -4.565 -66.127 1.00 0.00 C ATOM 1251 O GLN B 69 -12.892 -5.237 -65.112 1.00 0.00 O ATOM 1252 CB GLN B 69 -10.318 -3.950 -65.736 1.00 0.00 C ATOM 1253 CG GLN B 69 -9.828 -5.120 -66.572 1.00 0.00 C ATOM 1254 CD GLN B 69 -9.547 -4.726 -68.010 1.00 0.00 C ATOM 1255 OE1 GLN B 69 -8.689 -3.882 -68.281 1.00 0.00 O ATOM 1256 NE2 GLN B 69 -10.270 -5.338 -68.942 1.00 0.00 N ATOM 0 H GLN B 69 -12.329 -2.639 -64.300 1.00 0.00 H new ATOM 0 HA GLN B 69 -11.646 -3.025 -67.150 1.00 0.00 H new ATOM 0 HB2 GLN B 69 -9.597 -3.136 -65.812 1.00 0.00 H new ATOM 0 HB3 GLN B 69 -10.347 -4.253 -64.689 1.00 0.00 H new ATOM 0 HG2 GLN B 69 -8.921 -5.527 -66.126 1.00 0.00 H new ATOM 0 HG3 GLN B 69 -10.575 -5.913 -66.555 1.00 0.00 H new ATOM 0 HE21 GLN B 69 -10.969 -6.030 -68.672 1.00 0.00 H new ATOM 0 HE22 GLN B 69 -10.126 -5.116 -69.927 1.00 0.00 H new ATOM 1265 N ASP B 70 -13.368 -4.777 -67.262 1.00 0.00 N ATOM 1266 CA ASP B 70 -14.501 -5.693 -67.333 1.00 0.00 C ATOM 1267 C ASP B 70 -15.641 -5.229 -66.436 1.00 0.00 C ATOM 1268 O ASP B 70 -16.016 -4.057 -66.450 1.00 0.00 O ATOM 1269 CB ASP B 70 -14.072 -7.107 -66.933 1.00 0.00 C ATOM 1270 CG ASP B 70 -12.912 -7.632 -67.767 1.00 0.00 C ATOM 1271 OD1 ASP B 70 -12.668 -7.090 -68.819 1.00 0.00 O ATOM 1272 OD2 ASP B 70 -12.280 -8.571 -67.344 1.00 0.00 O ATOM 0 H ASP B 70 -13.135 -4.326 -68.147 1.00 0.00 H new ATOM 0 HA ASP B 70 -14.855 -5.703 -68.364 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -13.787 -7.111 -65.881 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -14.922 -7.782 -67.036 1.00 0.00 H new ATOM 1277 N GLY B 71 -16.188 -6.155 -65.656 1.00 0.00 N ATOM 1278 CA GLY B 71 -17.281 -5.840 -64.743 1.00 0.00 C ATOM 1279 C GLY B 71 -16.757 -5.507 -63.352 1.00 0.00 C ATOM 1280 O GLY B 71 -17.530 -5.378 -62.402 1.00 0.00 O ATOM 0 H GLY B 71 -15.892 -7.131 -65.638 1.00 0.00 H new ATOM 0 HA2 GLY B 71 -17.851 -4.996 -65.131 1.00 0.00 H new ATOM 0 HA3 GLY B 71 -17.965 -6.687 -64.684 1.00 0.00 H new ATOM 1284 N MET B 72 -15.441 -5.369 -63.238 1.00 0.00 N ATOM 1285 CA MET B 72 -14.815 -5.014 -61.970 1.00 0.00 C ATOM 1286 C MET B 72 -13.936 -3.778 -62.117 1.00 0.00 C ATOM 1287 O MET B 72 -13.664 -3.327 -63.229 1.00 0.00 O ATOM 1288 CB MET B 72 -13.998 -6.188 -61.437 1.00 0.00 C ATOM 1289 CG MET B 72 -14.819 -7.426 -61.102 1.00 0.00 C ATOM 1290 SD MET B 72 -13.798 -8.813 -60.564 1.00 0.00 S ATOM 1291 CE MET B 72 -13.099 -9.343 -62.125 1.00 0.00 C ATOM 0 H MET B 72 -14.786 -5.498 -64.009 1.00 0.00 H new ATOM 0 HA MET B 72 -15.605 -4.781 -61.256 1.00 0.00 H new ATOM 0 HB2 MET B 72 -13.244 -6.456 -62.178 1.00 0.00 H new ATOM 0 HB3 MET B 72 -13.465 -5.867 -60.542 1.00 0.00 H new ATOM 0 HG2 MET B 72 -15.535 -7.181 -60.317 1.00 0.00 H new ATOM 0 HG3 MET B 72 -15.396 -7.723 -61.978 1.00 0.00 H new ATOM 0 HE1 MET B 72 -12.603 -10.305 -61.994 1.00 0.00 H new ATOM 0 HE2 MET B 72 -13.894 -9.443 -62.864 1.00 0.00 H new ATOM 0 HE3 MET B 72 -12.374 -8.605 -62.468 1.00 0.00 H new ATOM 1301 N ASP B 73 -13.495 -3.234 -60.988 1.00 0.00 N ATOM 1302 CA ASP B 73 -12.569 -2.108 -60.990 1.00 0.00 C ATOM 1303 C ASP B 73 -11.197 -2.522 -60.473 1.00 0.00 C ATOM 1304 O ASP B 73 -11.088 -3.347 -59.566 1.00 0.00 O ATOM 1305 CB ASP B 73 -13.118 -0.960 -60.140 1.00 0.00 C ATOM 1306 CG ASP B 73 -14.390 -0.352 -60.714 1.00 0.00 C ATOM 1307 OD1 ASP B 73 -14.622 -0.511 -61.889 1.00 0.00 O ATOM 1308 OD2 ASP B 73 -15.117 0.264 -59.973 1.00 0.00 O ATOM 0 H ASP B 73 -13.765 -3.555 -60.058 1.00 0.00 H new ATOM 0 HA ASP B 73 -12.462 -1.770 -62.021 1.00 0.00 H new ATOM 0 HB2 ASP B 73 -13.318 -1.325 -59.133 1.00 0.00 H new ATOM 0 HB3 ASP B 73 -12.358 -0.184 -60.053 1.00 0.00 H new ATOM 1313 N VAL B 74 -10.152 -1.943 -61.054 1.00 0.00 N ATOM 1314 CA VAL B 74 -8.785 -2.250 -60.652 1.00 0.00 C ATOM 1315 C VAL B 74 -8.069 -1.007 -60.138 1.00 0.00 C ATOM 1316 O VAL B 74 -7.963 -0.004 -60.843 1.00 0.00 O ATOM 1317 CB VAL B 74 -7.997 -2.838 -61.838 1.00 0.00 C ATOM 1318 CG1 VAL B 74 -6.555 -3.110 -61.438 1.00 0.00 C ATOM 1319 CG2 VAL B 74 -8.671 -4.111 -62.326 1.00 0.00 C ATOM 0 H VAL B 74 -10.226 -1.258 -61.806 1.00 0.00 H new ATOM 0 HA VAL B 74 -8.834 -2.983 -59.847 1.00 0.00 H new ATOM 0 HB VAL B 74 -7.989 -2.113 -62.652 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -6.014 -3.525 -62.288 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -6.082 -2.179 -61.126 1.00 0.00 H new ATOM 0 HG13 VAL B 74 -6.534 -3.821 -60.612 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -8.109 -4.522 -63.165 1.00 0.00 H new ATOM 0 HG22 VAL B 74 -8.700 -4.841 -61.517 1.00 0.00 H new ATOM 0 HG23 VAL B 74 -9.688 -3.884 -62.647 1.00 0.00 H new ATOM 1329 N LEU B 75 -7.578 -1.081 -58.905 1.00 0.00 N ATOM 1330 CA LEU B 75 -6.812 0.012 -58.319 1.00 0.00 C ATOM 1331 C LEU B 75 -5.331 -0.110 -58.654 1.00 0.00 C ATOM 1332 O LEU B 75 -4.738 -1.179 -58.504 1.00 0.00 O ATOM 1333 CB LEU B 75 -6.998 0.034 -56.796 1.00 0.00 C ATOM 1334 CG LEU B 75 -6.227 1.128 -56.047 1.00 0.00 C ATOM 1335 CD1 LEU B 75 -6.767 2.495 -56.447 1.00 0.00 C ATOM 1336 CD2 LEU B 75 -6.358 0.906 -54.548 1.00 0.00 C ATOM 0 H LEU B 75 -7.697 -1.888 -58.292 1.00 0.00 H new ATOM 0 HA LEU B 75 -7.184 0.945 -58.743 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -8.060 0.151 -56.580 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -6.696 -0.935 -56.398 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.170 1.085 -56.310 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -6.219 3.273 -55.915 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -6.644 2.635 -57.521 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -7.825 2.557 -56.192 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.810 1.684 -54.016 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -7.410 0.945 -54.265 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -5.948 -0.070 -54.288 1.00 0.00 H new ATOM 1348 N GLU B 76 -4.740 0.988 -59.109 1.00 0.00 N ATOM 1349 CA GLU B 76 -3.354 0.981 -59.563 1.00 0.00 C ATOM 1350 C GLU B 76 -2.519 2.003 -58.803 1.00 0.00 C ATOM 1351 O GLU B 76 -2.885 3.175 -58.715 1.00 0.00 O ATOM 1352 CB GLU B 76 -3.284 1.265 -61.065 1.00 0.00 C ATOM 1353 CG GLU B 76 -1.876 1.247 -61.643 1.00 0.00 C ATOM 1354 CD GLU B 76 -1.844 1.553 -63.115 1.00 0.00 C ATOM 1355 OE1 GLU B 76 -2.533 0.894 -63.855 1.00 0.00 O ATOM 1356 OE2 GLU B 76 -1.127 2.448 -63.499 1.00 0.00 O ATOM 0 H GLU B 76 -5.199 1.896 -59.174 1.00 0.00 H new ATOM 0 HA GLU B 76 -2.944 -0.010 -59.366 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -3.889 0.526 -61.591 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -3.731 2.240 -61.259 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -1.261 1.974 -61.112 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -1.430 0.267 -61.471 1.00 0.00 H new ATOM 1363 N LEU B 77 -1.396 1.553 -58.256 1.00 0.00 N ATOM 1364 CA LEU B 77 -0.476 2.440 -57.555 1.00 0.00 C ATOM 1365 C LEU B 77 0.897 2.446 -58.216 1.00 0.00 C ATOM 1366 O LEU B 77 1.463 1.391 -58.502 1.00 0.00 O ATOM 1367 CB LEU B 77 -0.341 2.012 -56.088 1.00 0.00 C ATOM 1368 CG LEU B 77 -1.635 2.042 -55.265 1.00 0.00 C ATOM 1369 CD1 LEU B 77 -2.396 0.739 -55.466 1.00 0.00 C ATOM 1370 CD2 LEU B 77 -1.299 2.258 -53.797 1.00 0.00 C ATOM 0 H LEU B 77 -1.100 0.577 -58.285 1.00 0.00 H new ATOM 0 HA LEU B 77 -0.885 3.449 -57.602 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.063 1.000 -56.060 1.00 0.00 H new ATOM 0 HB3 LEU B 77 0.390 2.660 -55.605 1.00 0.00 H new ATOM 0 HG LEU B 77 -2.268 2.865 -55.597 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -3.315 0.761 -54.881 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -2.640 0.619 -56.522 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -1.778 -0.097 -55.140 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -2.219 2.279 -53.213 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -0.664 1.444 -53.445 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -0.773 3.205 -53.680 1.00 0.00 H new ATOM 1382 N ASN B 78 1.427 3.640 -58.458 1.00 0.00 N ATOM 1383 CA ASN B 78 2.723 3.785 -59.109 1.00 0.00 C ATOM 1384 C ASN B 78 3.680 4.606 -58.255 1.00 0.00 C ATOM 1385 O ASN B 78 3.413 5.769 -57.951 1.00 0.00 O ATOM 1386 CB ASN B 78 2.563 4.409 -60.483 1.00 0.00 C ATOM 1387 CG ASN B 78 1.789 3.535 -61.429 1.00 0.00 C ATOM 1388 OD1 ASN B 78 2.244 2.446 -61.801 1.00 0.00 O ATOM 1389 ND2 ASN B 78 0.627 3.987 -61.825 1.00 0.00 N ATOM 0 H ASN B 78 0.978 4.522 -58.213 1.00 0.00 H new ATOM 0 HA ASN B 78 3.151 2.790 -59.228 1.00 0.00 H new ATOM 0 HB2 ASN B 78 2.057 5.369 -60.385 1.00 0.00 H new ATOM 0 HB3 ASN B 78 3.548 4.610 -60.904 1.00 0.00 H new ATOM 0 HD21 ASN B 78 0.057 3.435 -62.466 1.00 0.00 H new ATOM 0 HD22 ASN B 78 0.291 4.891 -61.493 1.00 0.00 H new ATOM 1396 N ILE B 79 4.795 3.996 -57.870 1.00 0.00 N ATOM 1397 CA ILE B 79 5.753 4.638 -56.979 1.00 0.00 C ATOM 1398 C ILE B 79 7.115 4.783 -57.645 1.00 0.00 C ATOM 1399 O ILE B 79 7.744 3.791 -58.014 1.00 0.00 O ATOM 1400 CB ILE B 79 5.903 3.845 -55.668 1.00 0.00 C ATOM 1401 CG1 ILE B 79 4.540 3.659 -54.997 1.00 0.00 C ATOM 1402 CG2 ILE B 79 6.872 4.547 -54.729 1.00 0.00 C ATOM 1403 CD1 ILE B 79 3.839 2.377 -55.380 1.00 0.00 C ATOM 0 H ILE B 79 5.058 3.055 -58.162 1.00 0.00 H new ATOM 0 HA ILE B 79 5.367 5.632 -56.751 1.00 0.00 H new ATOM 0 HB ILE B 79 6.307 2.860 -55.903 1.00 0.00 H new ATOM 0 HG12 ILE B 79 4.673 3.680 -53.915 1.00 0.00 H new ATOM 0 HG13 ILE B 79 3.900 4.503 -55.256 1.00 0.00 H new ATOM 0 HG21 ILE B 79 6.966 3.973 -53.807 1.00 0.00 H new ATOM 0 HG22 ILE B 79 7.848 4.628 -55.207 1.00 0.00 H new ATOM 0 HG23 ILE B 79 6.497 5.544 -54.498 1.00 0.00 H new ATOM 0 HD11 ILE B 79 2.881 2.318 -54.864 1.00 0.00 H new ATOM 0 HD12 ILE B 79 3.673 2.361 -56.457 1.00 0.00 H new ATOM 0 HD13 ILE B 79 4.457 1.525 -55.096 1.00 0.00 H new ATOM 1415 N THR B 80 7.566 6.023 -57.797 1.00 0.00 N ATOM 1416 CA THR B 80 8.861 6.298 -58.406 1.00 0.00 C ATOM 1417 C THR B 80 9.978 6.263 -57.370 1.00 0.00 C ATOM 1418 O THR B 80 9.989 7.056 -56.429 1.00 0.00 O ATOM 1419 CB THR B 80 8.860 7.664 -59.118 1.00 0.00 C ATOM 1420 OG1 THR B 80 7.867 7.666 -60.152 1.00 0.00 O ATOM 1421 CG2 THR B 80 10.224 7.947 -59.730 1.00 0.00 C ATOM 0 H THR B 80 7.052 6.855 -57.506 1.00 0.00 H new ATOM 0 HA THR B 80 9.042 5.515 -59.143 1.00 0.00 H new ATOM 0 HB THR B 80 8.634 8.439 -58.385 1.00 0.00 H new ATOM 0 HG1 THR B 80 7.866 8.536 -60.603 1.00 0.00 H new ATOM 0 HG21 THR B 80 10.205 8.916 -60.229 1.00 0.00 H new ATOM 0 HG22 THR B 80 10.980 7.958 -58.945 1.00 0.00 H new ATOM 0 HG23 THR B 80 10.466 7.170 -60.455 1.00 0.00 H new ATOM 1429 N LEU B 81 10.914 5.337 -57.547 1.00 0.00 N ATOM 1430 CA LEU B 81 12.026 5.184 -56.617 1.00 0.00 C ATOM 1431 C LEU B 81 13.364 5.318 -57.331 1.00 0.00 C ATOM 1432 O LEU B 81 14.133 6.182 -57.008 1.00 0.00 O ATOM 1433 CB LEU B 81 11.947 3.821 -55.917 1.00 0.00 C ATOM 1434 CG LEU B 81 10.684 3.574 -55.082 1.00 0.00 C ATOM 1435 CD1 LEU B 81 10.686 2.140 -54.569 1.00 0.00 C ATOM 1436 CD2 LEU B 81 10.635 4.566 -53.930 1.00 0.00 C ATOM 0 H LEU B 81 10.924 4.680 -58.327 1.00 0.00 H new ATOM 0 HA LEU B 81 11.952 5.978 -55.874 1.00 0.00 H new ATOM 0 HB2 LEU B 81 12.018 3.040 -56.674 1.00 0.00 H new ATOM 0 HB3 LEU B 81 12.816 3.716 -55.267 1.00 0.00 H new ATOM 0 HG LEU B 81 9.796 3.718 -55.698 1.00 0.00 H new ATOM 0 HD11 LEU B 81 9.789 1.965 -53.976 1.00 0.00 H new ATOM 0 HD12 LEU B 81 10.703 1.451 -55.414 1.00 0.00 H new ATOM 0 HD13 LEU B 81 11.568 1.976 -53.950 1.00 0.00 H new ATOM 0 HD21 LEU B 81 9.738 4.391 -53.337 1.00 0.00 H new ATOM 0 HD22 LEU B 81 11.516 4.438 -53.302 1.00 0.00 H new ATOM 0 HD23 LEU B 81 10.616 5.582 -54.325 1.00 0.00 H new