USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ -151:sc= -0.0373 (180deg=-0.966) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 70:sc= -1.49! USER MOD Single : A 9 SER OG : rot -157:sc= -0.593! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 41:sc= 0.3 USER MOD Single : A 20 HIS : no HE2:sc= -21.2! C(o=-21!,f=-27!) USER MOD Single : A 21 ASN : amide:sc= -2.63! C(o=-2.6!,f=-8.1!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 81:sc= 0.88 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -103:sc= -0.584 USER MOD Single : A 57 THR OG1 : rot 168:sc= -3.32! USER MOD Single : A 58 THR OG1 : rot -74:sc= -6.28! USER MOD Single : A 59 SER OG : rot 180:sc= -0.772 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -34:sc= 0.571! USER MOD Single : A 72 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.3!) USER MOD Single : A 73 TYR OH : rot 102:sc= 0.646 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -3.03 K(o=-3,f=0.45) USER MOD Single : A 93 GLN : amide:sc= -0.858 K(o=-0.86,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 18.924 -1.225 2.525 1.00 0.00 N ATOM 23 CA LYS A 2 17.713 -2.062 2.297 1.00 0.00 C ATOM 24 C LYS A 2 16.505 -1.409 2.972 1.00 0.00 C ATOM 25 O LYS A 2 16.615 -0.877 4.058 1.00 0.00 O ATOM 26 CB LYS A 2 17.943 -3.451 2.896 1.00 0.00 C ATOM 27 CG LYS A 2 19.306 -3.979 2.445 1.00 0.00 C ATOM 28 CD LYS A 2 20.078 -4.513 3.653 1.00 0.00 C ATOM 29 CE LYS A 2 21.058 -5.593 3.193 1.00 0.00 C ATOM 30 NZ LYS A 2 20.298 -6.772 2.690 1.00 0.00 N ATOM 0 HA LYS A 2 17.524 -2.150 1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.902 -3.401 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.153 -4.132 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.174 -4.770 1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.873 -3.183 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.617 -3.701 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.386 -4.924 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.705 -5.202 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.704 -5.889 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.858 -7.635 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.398 -6.850 3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.107 -6.654 1.675 1.00 0.00 H new ATOM 44 N PRO A 3 15.374 -1.527 2.331 1.00 0.00 N ATOM 45 CA PRO A 3 14.246 -0.604 2.535 1.00 0.00 C ATOM 46 C PRO A 3 13.516 -0.937 3.838 1.00 0.00 C ATOM 47 O PRO A 3 12.526 -1.636 3.839 1.00 0.00 O ATOM 48 CB PRO A 3 13.348 -0.859 1.321 1.00 0.00 C ATOM 49 CG PRO A 3 13.707 -2.272 0.804 1.00 0.00 C ATOM 50 CD PRO A 3 15.114 -2.595 1.346 1.00 0.00 C ATOM 0 HA PRO A 3 14.552 0.439 2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.295 -0.802 1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.516 -0.108 0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.980 -3.007 1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.696 -2.300 -0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.146 -3.581 1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.858 -2.593 0.550 1.00 0.00 H new ATOM 58 N LYS A 4 13.996 -0.442 4.947 1.00 0.00 N ATOM 59 CA LYS A 4 13.326 -0.738 6.242 1.00 0.00 C ATOM 60 C LYS A 4 11.872 -0.284 6.179 1.00 0.00 C ATOM 61 O LYS A 4 11.546 0.825 6.548 1.00 0.00 O ATOM 62 CB LYS A 4 14.041 0.004 7.373 1.00 0.00 C ATOM 63 CG LYS A 4 13.958 -0.820 8.659 1.00 0.00 C ATOM 64 CD LYS A 4 14.899 -2.022 8.559 1.00 0.00 C ATOM 65 CE LYS A 4 16.348 -1.533 8.504 1.00 0.00 C ATOM 66 NZ LYS A 4 17.268 -2.680 8.748 1.00 0.00 N ATOM 0 H LYS A 4 14.822 0.153 5.010 1.00 0.00 H new ATOM 0 HA LYS A 4 13.365 -1.811 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 4 15.084 0.177 7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.585 0.982 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.229 -0.204 9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.935 -1.159 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.758 -2.680 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.667 -2.606 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.556 -1.086 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.510 -0.757 9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.253 -2.349 8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.075 -3.087 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.119 -3.406 8.018 1.00 0.00 H new ATOM 80 N ILE A 5 10.990 -1.134 5.730 1.00 0.00 N ATOM 81 CA ILE A 5 9.559 -0.742 5.669 1.00 0.00 C ATOM 82 C ILE A 5 8.959 -0.942 7.054 1.00 0.00 C ATOM 83 O ILE A 5 8.908 -2.040 7.572 1.00 0.00 O ATOM 84 CB ILE A 5 8.831 -1.587 4.616 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.532 -0.884 4.213 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.510 -2.971 5.180 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.493 -0.716 2.693 1.00 0.00 C ATOM 0 H ILE A 5 11.199 -2.078 5.405 1.00 0.00 H new ATOM 0 HA ILE A 5 9.454 0.303 5.377 1.00 0.00 H new ATOM 0 HB ILE A 5 9.474 -1.702 3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.673 -1.465 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.467 0.090 4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.993 -3.561 4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.436 -3.473 5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.872 -2.867 6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.568 -0.216 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.345 -0.117 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.538 -1.696 2.217 1.00 0.00 H new ATOM 99 N LEU A 6 8.547 0.125 7.678 1.00 0.00 N ATOM 100 CA LEU A 6 8.003 0.008 9.052 1.00 0.00 C ATOM 101 C LEU A 6 6.526 0.413 9.114 1.00 0.00 C ATOM 102 O LEU A 6 5.937 0.417 10.176 1.00 0.00 O ATOM 103 CB LEU A 6 8.843 0.875 10.002 1.00 0.00 C ATOM 104 CG LEU A 6 9.091 2.281 9.434 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.201 2.221 8.381 1.00 0.00 C ATOM 106 CD2 LEU A 6 7.812 2.846 8.811 1.00 0.00 C ATOM 0 H LEU A 6 8.565 1.070 7.294 1.00 0.00 H new ATOM 0 HA LEU A 6 8.060 -1.036 9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.334 0.957 10.962 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.799 0.386 10.188 1.00 0.00 H new ATOM 0 HG LEU A 6 9.396 2.938 10.248 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.376 3.219 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.117 1.849 8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.901 1.552 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.010 3.842 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.482 2.193 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.033 2.906 9.571 1.00 0.00 H new ATOM 118 N THR A 7 5.921 0.748 7.998 1.00 0.00 N ATOM 119 CA THR A 7 4.477 1.138 8.020 1.00 0.00 C ATOM 120 C THR A 7 3.720 0.281 9.031 1.00 0.00 C ATOM 121 O THR A 7 3.038 0.782 9.903 1.00 0.00 O ATOM 122 CB THR A 7 3.861 0.918 6.636 1.00 0.00 C ATOM 123 OG1 THR A 7 2.445 0.895 6.755 1.00 0.00 O ATOM 124 CG2 THR A 7 4.346 -0.414 6.059 1.00 0.00 C ATOM 0 H THR A 7 6.363 0.768 7.079 1.00 0.00 H new ATOM 0 HA THR A 7 4.404 2.189 8.299 1.00 0.00 H new ATOM 0 HB THR A 7 4.163 1.727 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.120 1.794 6.970 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.905 -0.566 5.074 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.432 -0.399 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.047 -1.227 6.720 1.00 0.00 H new ATOM 132 N ALA A 8 3.859 -1.007 8.910 1.00 0.00 N ATOM 133 CA ALA A 8 3.181 -1.957 9.834 1.00 0.00 C ATOM 134 C ALA A 8 1.746 -2.196 9.372 1.00 0.00 C ATOM 135 O ALA A 8 1.300 -3.318 9.235 1.00 0.00 O ATOM 136 CB ALA A 8 3.199 -1.373 11.236 1.00 0.00 C ATOM 0 H ALA A 8 4.429 -1.453 8.191 1.00 0.00 H new ATOM 0 HA ALA A 8 3.703 -2.914 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.705 -2.060 11.923 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.231 -1.222 11.554 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.675 -0.417 11.239 1.00 0.00 H new ATOM 142 N SER A 9 1.035 -1.145 9.120 1.00 0.00 N ATOM 143 CA SER A 9 -0.375 -1.266 8.650 1.00 0.00 C ATOM 144 C SER A 9 -1.096 -2.398 9.383 1.00 0.00 C ATOM 145 O SER A 9 -0.653 -2.887 10.403 1.00 0.00 O ATOM 146 CB SER A 9 -0.385 -1.552 7.149 1.00 0.00 C ATOM 147 OG SER A 9 -1.638 -1.155 6.607 1.00 0.00 O ATOM 0 H SER A 9 1.371 -0.187 9.219 1.00 0.00 H new ATOM 0 HA SER A 9 -0.892 -0.329 8.858 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.425 -1.012 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.216 -2.613 6.968 1.00 0.00 H new ATOM 0 HG SER A 9 -1.807 -1.649 5.778 1.00 0.00 H new ATOM 153 N ARG A 10 -2.218 -2.805 8.859 1.00 0.00 N ATOM 154 CA ARG A 10 -3.008 -3.895 9.493 1.00 0.00 C ATOM 155 C ARG A 10 -4.269 -4.123 8.667 1.00 0.00 C ATOM 156 O ARG A 10 -4.303 -4.938 7.766 1.00 0.00 O ATOM 157 CB ARG A 10 -3.393 -3.486 10.915 1.00 0.00 C ATOM 158 CG ARG A 10 -2.536 -4.260 11.919 1.00 0.00 C ATOM 159 CD ARG A 10 -3.431 -5.183 12.748 1.00 0.00 C ATOM 160 NE ARG A 10 -3.103 -6.603 12.437 1.00 0.00 N ATOM 161 CZ ARG A 10 -2.051 -7.160 12.970 1.00 0.00 C ATOM 162 NH1 ARG A 10 -2.113 -7.649 14.179 1.00 0.00 N ATOM 163 NH2 ARG A 10 -0.936 -7.229 12.295 1.00 0.00 N ATOM 0 H ARG A 10 -2.626 -2.423 8.006 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.418 -4.811 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.249 -2.414 11.048 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.450 -3.689 11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.780 -4.844 11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.006 -3.566 12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.286 -4.989 13.811 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.480 -4.984 12.528 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.701 -7.139 11.808 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.984 -7.595 14.707 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.290 -8.085 14.596 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.887 -6.847 11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.113 -7.665 12.712 1.00 0.00 H new ATOM 177 N LYS A 11 -5.296 -3.388 8.957 1.00 0.00 N ATOM 178 CA LYS A 11 -6.563 -3.526 8.184 1.00 0.00 C ATOM 179 C LYS A 11 -6.995 -2.143 7.701 1.00 0.00 C ATOM 180 O LYS A 11 -6.406 -1.141 8.054 1.00 0.00 O ATOM 181 CB LYS A 11 -7.661 -4.120 9.069 1.00 0.00 C ATOM 182 CG LYS A 11 -7.754 -3.327 10.374 1.00 0.00 C ATOM 183 CD LYS A 11 -9.157 -2.734 10.513 1.00 0.00 C ATOM 184 CE LYS A 11 -9.482 -2.531 11.994 1.00 0.00 C ATOM 185 NZ LYS A 11 -10.337 -3.654 12.473 1.00 0.00 N ATOM 0 H LYS A 11 -5.318 -2.691 9.701 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.399 -4.189 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.617 -4.093 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.444 -5.167 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.536 -3.976 11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.009 -2.531 10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.215 -1.783 9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.891 -3.398 10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.562 -2.486 12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.997 -1.581 12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.558 -3.517 13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.220 -3.676 11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.830 -4.554 12.350 1.00 0.00 H new ATOM 199 N ILE A 12 -8.014 -2.076 6.893 1.00 0.00 N ATOM 200 CA ILE A 12 -8.469 -0.753 6.390 1.00 0.00 C ATOM 201 C ILE A 12 -9.997 -0.737 6.285 1.00 0.00 C ATOM 202 O ILE A 12 -10.564 -1.118 5.279 1.00 0.00 O ATOM 203 CB ILE A 12 -7.852 -0.500 5.011 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.378 -0.113 5.170 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.603 0.626 4.302 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.252 1.058 6.145 1.00 0.00 C ATOM 0 H ILE A 12 -8.550 -2.878 6.560 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.153 0.029 7.080 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.927 -1.410 4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.806 -0.966 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.958 0.161 4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.158 0.800 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.649 0.346 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.538 1.537 4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.202 1.329 6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.809 1.913 5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.655 0.768 7.116 1.00 0.00 H new ATOM 218 N LYS A 13 -10.668 -0.286 7.311 1.00 0.00 N ATOM 219 CA LYS A 13 -12.156 -0.231 7.261 1.00 0.00 C ATOM 220 C LYS A 13 -12.569 0.964 6.400 1.00 0.00 C ATOM 221 O LYS A 13 -12.380 2.104 6.776 1.00 0.00 O ATOM 222 CB LYS A 13 -12.711 -0.061 8.676 1.00 0.00 C ATOM 223 CG LYS A 13 -14.184 -0.476 8.701 1.00 0.00 C ATOM 224 CD LYS A 13 -14.842 0.055 9.976 1.00 0.00 C ATOM 225 CE LYS A 13 -15.518 1.395 9.682 1.00 0.00 C ATOM 226 NZ LYS A 13 -15.399 2.284 10.872 1.00 0.00 N ATOM 0 H LYS A 13 -10.250 0.046 8.180 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.550 -1.153 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.139 -0.669 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.609 0.976 8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.698 -0.084 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.268 -1.562 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.576 -0.662 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.094 0.177 10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.054 1.866 8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.568 1.238 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.859 3.195 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.861 1.835 11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.394 2.443 11.087 1.00 0.00 H new ATOM 240 N ILE A 14 -13.114 0.717 5.241 1.00 0.00 N ATOM 241 CA ILE A 14 -13.514 1.848 4.359 1.00 0.00 C ATOM 242 C ILE A 14 -14.992 1.720 3.965 1.00 0.00 C ATOM 243 O ILE A 14 -15.441 0.694 3.492 1.00 0.00 O ATOM 244 CB ILE A 14 -12.639 1.829 3.101 1.00 0.00 C ATOM 245 CG1 ILE A 14 -11.183 1.610 3.494 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.765 3.161 2.365 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.275 1.842 2.275 1.00 0.00 C ATOM 0 H ILE A 14 -13.299 -0.214 4.868 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.378 2.789 4.893 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.969 1.020 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.908 2.291 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.047 0.597 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.141 3.143 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.804 3.322 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.439 3.970 3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.235 1.684 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.544 1.143 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.402 2.863 1.916 1.00 0.00 H new ATOM 259 N LYS A 15 -15.757 2.760 4.147 1.00 0.00 N ATOM 260 CA LYS A 15 -17.194 2.689 3.767 1.00 0.00 C ATOM 261 C LYS A 15 -17.294 2.689 2.242 1.00 0.00 C ATOM 262 O LYS A 15 -16.358 3.044 1.554 1.00 0.00 O ATOM 263 CB LYS A 15 -17.941 3.899 4.334 1.00 0.00 C ATOM 264 CG LYS A 15 -19.417 3.546 4.523 1.00 0.00 C ATOM 265 CD LYS A 15 -19.735 3.457 6.016 1.00 0.00 C ATOM 266 CE LYS A 15 -20.786 4.509 6.377 1.00 0.00 C ATOM 267 NZ LYS A 15 -21.305 4.241 7.748 1.00 0.00 N ATOM 0 H LYS A 15 -15.451 3.650 4.540 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.641 1.780 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.503 4.196 5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.843 4.749 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.045 4.301 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.640 2.597 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.103 2.461 6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.830 3.616 6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.349 5.506 6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.603 4.485 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.019 4.955 7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.737 3.295 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -20.522 4.285 8.431 1.00 0.00 H new ATOM 281 N ALA A 16 -18.410 2.290 1.702 1.00 0.00 N ATOM 282 CA ALA A 16 -18.541 2.269 0.219 1.00 0.00 C ATOM 283 C ALA A 16 -18.508 3.704 -0.316 1.00 0.00 C ATOM 284 O ALA A 16 -18.928 4.631 0.345 1.00 0.00 O ATOM 285 CB ALA A 16 -19.866 1.609 -0.170 1.00 0.00 C ATOM 0 H ALA A 16 -19.233 1.979 2.219 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.715 1.701 -0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.960 1.594 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.889 0.588 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.694 2.174 0.258 1.00 0.00 H new ATOM 291 N GLY A 17 -18.018 3.891 -1.513 1.00 0.00 N ATOM 292 CA GLY A 17 -17.956 5.263 -2.100 1.00 0.00 C ATOM 293 C GLY A 17 -17.225 6.213 -1.145 1.00 0.00 C ATOM 294 O GLY A 17 -17.587 7.365 -1.011 1.00 0.00 O ATOM 0 H GLY A 17 -17.656 3.149 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.441 5.233 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -18.964 5.631 -2.290 1.00 0.00 H new ATOM 298 N PHE A 18 -16.205 5.745 -0.473 1.00 0.00 N ATOM 299 CA PHE A 18 -15.470 6.637 0.479 1.00 0.00 C ATOM 300 C PHE A 18 -14.061 6.942 -0.035 1.00 0.00 C ATOM 301 O PHE A 18 -13.555 6.295 -0.935 1.00 0.00 O ATOM 302 CB PHE A 18 -15.362 5.958 1.845 1.00 0.00 C ATOM 303 CG PHE A 18 -16.534 6.372 2.693 1.00 0.00 C ATOM 304 CD1 PHE A 18 -17.796 6.491 2.109 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.364 6.637 4.057 1.00 0.00 C ATOM 306 CE1 PHE A 18 -18.895 6.875 2.885 1.00 0.00 C ATOM 307 CE2 PHE A 18 -17.462 7.022 4.836 1.00 0.00 C ATOM 308 CZ PHE A 18 -18.728 7.141 4.250 1.00 0.00 C ATOM 0 H PHE A 18 -15.850 4.791 -0.540 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.026 7.571 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.347 4.875 1.727 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.428 6.238 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.924 6.286 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.387 6.545 4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.871 6.966 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.332 7.227 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 18 -19.575 7.438 4.850 1.00 0.00 H new ATOM 318 N THR A 19 -13.427 7.934 0.542 1.00 0.00 N ATOM 319 CA THR A 19 -12.051 8.308 0.115 1.00 0.00 C ATOM 320 C THR A 19 -11.038 7.911 1.199 1.00 0.00 C ATOM 321 O THR A 19 -10.910 8.564 2.216 1.00 0.00 O ATOM 322 CB THR A 19 -11.994 9.815 -0.124 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.592 10.495 0.972 1.00 0.00 O ATOM 324 CG2 THR A 19 -12.758 10.137 -1.406 1.00 0.00 C ATOM 0 H THR A 19 -13.811 8.503 1.297 1.00 0.00 H new ATOM 0 HA THR A 19 -11.800 7.782 -0.806 1.00 0.00 H new ATOM 0 HB THR A 19 -10.957 10.137 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.326 10.062 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.725 11.211 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.300 9.612 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.795 9.818 -1.301 1.00 0.00 H new ATOM 332 N HIS A 20 -10.319 6.842 0.984 1.00 0.00 N ATOM 333 CA HIS A 20 -9.309 6.385 1.986 1.00 0.00 C ATOM 334 C HIS A 20 -7.980 7.096 1.729 1.00 0.00 C ATOM 335 O HIS A 20 -7.846 7.830 0.779 1.00 0.00 O ATOM 336 CB HIS A 20 -9.100 4.877 1.820 1.00 0.00 C ATOM 337 CG HIS A 20 -8.848 4.240 3.154 1.00 0.00 C ATOM 338 ND1 HIS A 20 -9.821 4.195 4.133 1.00 0.00 N ATOM 339 CD2 HIS A 20 -7.757 3.583 3.674 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.312 3.530 5.181 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.054 3.139 4.959 1.00 0.00 N ATOM 0 H HIS A 20 -10.388 6.260 0.149 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.660 6.612 2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.979 4.430 1.355 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.257 4.690 1.154 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -10.757 4.595 4.071 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.816 3.435 3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -9.854 3.334 6.094 1.00 0.00 H new ATOM 349 N ASN A 21 -6.994 6.858 2.559 1.00 0.00 N ATOM 350 CA ASN A 21 -5.653 7.489 2.357 1.00 0.00 C ATOM 351 C ASN A 21 -4.594 6.612 3.025 1.00 0.00 C ATOM 352 O ASN A 21 -3.956 6.993 3.986 1.00 0.00 O ATOM 353 CB ASN A 21 -5.620 8.904 2.941 1.00 0.00 C ATOM 354 CG ASN A 21 -5.758 8.837 4.464 1.00 0.00 C ATOM 355 OD1 ASN A 21 -5.885 7.769 5.029 1.00 0.00 O ATOM 356 ND2 ASN A 21 -5.743 9.943 5.158 1.00 0.00 N ATOM 0 H ASN A 21 -7.062 6.249 3.374 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.449 7.569 1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.686 9.397 2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.428 9.501 2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.838 9.909 6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.636 10.840 4.685 1.00 0.00 H new ATOM 363 N LEU A 22 -4.416 5.430 2.505 1.00 0.00 N ATOM 364 CA LEU A 22 -3.417 4.481 3.065 1.00 0.00 C ATOM 365 C LEU A 22 -2.082 5.194 3.290 1.00 0.00 C ATOM 366 O LEU A 22 -1.659 6.009 2.494 1.00 0.00 O ATOM 367 CB LEU A 22 -3.243 3.342 2.059 1.00 0.00 C ATOM 368 CG LEU A 22 -2.031 2.487 2.399 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.283 1.079 1.876 1.00 0.00 C ATOM 370 CD2 LEU A 22 -0.782 3.052 1.712 1.00 0.00 C ATOM 0 H LEU A 22 -4.932 5.076 1.699 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.757 4.092 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.139 2.721 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.131 3.753 1.056 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.874 2.481 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.427 0.446 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.176 0.670 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.427 1.112 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.081 2.434 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.929 3.052 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.608 4.072 2.054 1.00 0.00 H new ATOM 382 N GLU A 23 -1.414 4.886 4.368 1.00 0.00 N ATOM 383 CA GLU A 23 -0.104 5.538 4.648 1.00 0.00 C ATOM 384 C GLU A 23 0.962 4.461 4.859 1.00 0.00 C ATOM 385 O GLU A 23 0.723 3.453 5.493 1.00 0.00 O ATOM 386 CB GLU A 23 -0.218 6.394 5.910 1.00 0.00 C ATOM 387 CG GLU A 23 -0.541 5.498 7.107 1.00 0.00 C ATOM 388 CD GLU A 23 -1.642 6.146 7.949 1.00 0.00 C ATOM 389 OE1 GLU A 23 -2.484 6.816 7.374 1.00 0.00 O ATOM 390 OE2 GLU A 23 -1.625 5.961 9.155 1.00 0.00 O ATOM 0 H GLU A 23 -1.720 4.210 5.068 1.00 0.00 H new ATOM 0 HA GLU A 23 0.175 6.170 3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.715 6.930 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.998 7.145 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.863 4.515 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.353 5.346 7.713 1.00 0.00 H new ATOM 397 N VAL A 24 2.139 4.665 4.334 1.00 0.00 N ATOM 398 CA VAL A 24 3.219 3.653 4.506 1.00 0.00 C ATOM 399 C VAL A 24 4.576 4.354 4.477 1.00 0.00 C ATOM 400 O VAL A 24 4.724 5.421 3.912 1.00 0.00 O ATOM 401 CB VAL A 24 3.143 2.625 3.370 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.494 1.921 3.198 1.00 0.00 C ATOM 403 CG2 VAL A 24 2.080 1.582 3.703 1.00 0.00 C ATOM 0 H VAL A 24 2.399 5.490 3.793 1.00 0.00 H new ATOM 0 HA VAL A 24 3.095 3.142 5.461 1.00 0.00 H new ATOM 0 HB VAL A 24 2.887 3.141 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.425 1.194 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.261 2.658 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.758 1.409 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.024 0.850 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.343 1.078 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.113 2.072 3.817 1.00 0.00 H new ATOM 413 N ASP A 25 5.572 3.758 5.070 1.00 0.00 N ATOM 414 CA ASP A 25 6.911 4.390 5.063 1.00 0.00 C ATOM 415 C ASP A 25 7.992 3.329 5.211 1.00 0.00 C ATOM 416 O ASP A 25 7.843 2.364 5.931 1.00 0.00 O ATOM 417 CB ASP A 25 7.015 5.401 6.206 1.00 0.00 C ATOM 418 CG ASP A 25 5.719 6.209 6.292 1.00 0.00 C ATOM 419 OD1 ASP A 25 4.717 5.644 6.699 1.00 0.00 O ATOM 420 OD2 ASP A 25 5.751 7.380 5.950 1.00 0.00 O ATOM 0 H ASP A 25 5.513 2.863 5.557 1.00 0.00 H new ATOM 0 HA ASP A 25 7.052 4.907 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.197 4.884 7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.861 6.068 6.040 1.00 0.00 H new ATOM 425 N PHE A 26 9.085 3.508 4.527 1.00 0.00 N ATOM 426 CA PHE A 26 10.189 2.512 4.625 1.00 0.00 C ATOM 427 C PHE A 26 11.542 3.227 4.502 1.00 0.00 C ATOM 428 O PHE A 26 11.606 4.413 4.249 1.00 0.00 O ATOM 429 CB PHE A 26 10.037 1.454 3.517 1.00 0.00 C ATOM 430 CG PHE A 26 9.848 2.103 2.165 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.577 2.545 1.760 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.943 2.241 1.304 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.410 3.124 0.499 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.771 2.818 0.041 1.00 0.00 C ATOM 435 CZ PHE A 26 9.506 3.260 -0.361 1.00 0.00 C ATOM 0 H PHE A 26 9.263 4.297 3.906 1.00 0.00 H new ATOM 0 HA PHE A 26 10.142 2.012 5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.920 0.815 3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.184 0.812 3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.731 2.437 2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.920 1.902 1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.434 3.467 0.188 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.615 2.922 -0.624 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.375 3.706 -1.336 1.00 0.00 H new ATOM 445 N ILE A 27 12.627 2.521 4.697 1.00 0.00 N ATOM 446 CA ILE A 27 13.969 3.174 4.608 1.00 0.00 C ATOM 447 C ILE A 27 14.816 2.472 3.550 1.00 0.00 C ATOM 448 O ILE A 27 15.645 1.639 3.856 1.00 0.00 O ATOM 449 CB ILE A 27 14.667 3.087 5.968 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.112 4.174 6.881 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.177 3.295 5.804 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.595 4.032 6.983 1.00 0.00 C ATOM 0 H ILE A 27 12.642 1.524 4.913 1.00 0.00 H new ATOM 0 HA ILE A 27 13.845 4.220 4.329 1.00 0.00 H new ATOM 0 HB ILE A 27 14.488 2.102 6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.562 4.096 7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.370 5.158 6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.661 3.231 6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.581 2.525 5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.364 4.277 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.200 4.810 7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.153 4.131 5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.348 3.053 7.394 1.00 0.00 H new ATOM 464 N GLY A 28 14.619 2.803 2.311 1.00 0.00 N ATOM 465 CA GLY A 28 15.417 2.150 1.234 1.00 0.00 C ATOM 466 C GLY A 28 16.178 3.207 0.434 1.00 0.00 C ATOM 467 O GLY A 28 15.731 4.324 0.277 1.00 0.00 O ATOM 0 H GLY A 28 13.942 3.496 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.118 1.438 1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.759 1.586 0.573 1.00 0.00 H new ATOM 471 N ALA A 29 17.325 2.862 -0.083 1.00 0.00 N ATOM 472 CA ALA A 29 18.098 3.853 -0.881 1.00 0.00 C ATOM 473 C ALA A 29 19.393 3.214 -1.401 1.00 0.00 C ATOM 474 O ALA A 29 19.777 2.147 -0.965 1.00 0.00 O ATOM 475 CB ALA A 29 18.430 5.069 -0.016 1.00 0.00 C ATOM 0 H ALA A 29 17.758 1.943 0.012 1.00 0.00 H new ATOM 0 HA ALA A 29 17.495 4.172 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.996 5.791 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.506 5.530 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.025 4.754 0.841 1.00 0.00 H new ATOM 481 N PRO A 30 20.014 3.887 -2.338 1.00 0.00 N ATOM 482 CA PRO A 30 19.529 5.180 -2.850 1.00 0.00 C ATOM 483 C PRO A 30 18.304 4.967 -3.734 1.00 0.00 C ATOM 484 O PRO A 30 18.206 4.000 -4.463 1.00 0.00 O ATOM 485 CB PRO A 30 20.705 5.721 -3.660 1.00 0.00 C ATOM 486 CG PRO A 30 21.557 4.495 -4.036 1.00 0.00 C ATOM 487 CD PRO A 30 21.248 3.408 -2.988 1.00 0.00 C ATOM 0 HA PRO A 30 19.222 5.867 -2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.358 6.244 -4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.285 6.436 -3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.313 4.146 -5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.618 4.745 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.102 2.433 -3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.062 3.300 -2.271 1.00 0.00 H new ATOM 495 N ASP A 31 17.371 5.864 -3.657 1.00 0.00 N ATOM 496 CA ASP A 31 16.128 5.741 -4.468 1.00 0.00 C ATOM 497 C ASP A 31 15.671 4.278 -4.491 1.00 0.00 C ATOM 498 O ASP A 31 16.056 3.525 -5.363 1.00 0.00 O ATOM 499 CB ASP A 31 16.398 6.216 -5.897 1.00 0.00 C ATOM 500 CG ASP A 31 15.178 5.923 -6.771 1.00 0.00 C ATOM 501 OD1 ASP A 31 14.917 4.757 -7.019 1.00 0.00 O ATOM 502 OD2 ASP A 31 14.525 6.870 -7.179 1.00 0.00 O ATOM 0 H ASP A 31 17.413 6.690 -3.060 1.00 0.00 H new ATOM 0 HA ASP A 31 15.346 6.357 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.614 7.284 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.276 5.712 -6.299 1.00 0.00 H new ATOM 507 N PRO A 32 14.860 3.921 -3.527 1.00 0.00 N ATOM 508 CA PRO A 32 14.329 2.552 -3.402 1.00 0.00 C ATOM 509 C PRO A 32 13.189 2.326 -4.397 1.00 0.00 C ATOM 510 O PRO A 32 12.960 3.120 -5.288 1.00 0.00 O ATOM 511 CB PRO A 32 13.803 2.499 -1.965 1.00 0.00 C ATOM 512 CG PRO A 32 13.535 3.964 -1.548 1.00 0.00 C ATOM 513 CD PRO A 32 14.397 4.848 -2.473 1.00 0.00 C ATOM 0 HA PRO A 32 15.076 1.786 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.891 1.905 -1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.531 2.032 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.478 4.210 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.799 4.124 -0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.818 5.671 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.235 5.290 -1.934 1.00 0.00 H new ATOM 521 N THR A 33 12.470 1.250 -4.245 1.00 0.00 N ATOM 522 CA THR A 33 11.338 0.968 -5.171 1.00 0.00 C ATOM 523 C THR A 33 10.153 0.439 -4.362 1.00 0.00 C ATOM 524 O THR A 33 10.304 -0.420 -3.517 1.00 0.00 O ATOM 525 CB THR A 33 11.767 -0.081 -6.198 1.00 0.00 C ATOM 526 OG1 THR A 33 13.082 0.211 -6.649 1.00 0.00 O ATOM 527 CG2 THR A 33 10.803 -0.059 -7.385 1.00 0.00 C ATOM 0 H THR A 33 12.618 0.551 -3.517 1.00 0.00 H new ATOM 0 HA THR A 33 11.050 1.882 -5.691 1.00 0.00 H new ATOM 0 HB THR A 33 11.751 -1.069 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.359 -0.461 -7.306 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.109 -0.807 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.794 -0.282 -7.038 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.818 0.928 -7.847 1.00 0.00 H new ATOM 535 N ALA A 34 8.977 0.948 -4.606 1.00 0.00 N ATOM 536 CA ALA A 34 7.791 0.471 -3.840 1.00 0.00 C ATOM 537 C ALA A 34 6.668 0.096 -4.809 1.00 0.00 C ATOM 538 O ALA A 34 6.189 0.917 -5.567 1.00 0.00 O ATOM 539 CB ALA A 34 7.308 1.583 -2.907 1.00 0.00 C ATOM 0 H ALA A 34 8.786 1.671 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 34 8.068 -0.405 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.440 1.236 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.106 1.849 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.033 2.458 -3.496 1.00 0.00 H new ATOM 545 N THR A 35 6.241 -1.137 -4.788 1.00 0.00 N ATOM 546 CA THR A 35 5.146 -1.561 -5.704 1.00 0.00 C ATOM 547 C THR A 35 3.861 -1.760 -4.899 1.00 0.00 C ATOM 548 O THR A 35 3.819 -2.529 -3.958 1.00 0.00 O ATOM 549 CB THR A 35 5.529 -2.875 -6.389 1.00 0.00 C ATOM 550 OG1 THR A 35 6.565 -2.632 -7.331 1.00 0.00 O ATOM 551 CG2 THR A 35 4.308 -3.453 -7.106 1.00 0.00 C ATOM 0 H THR A 35 6.603 -1.868 -4.176 1.00 0.00 H new ATOM 0 HA THR A 35 4.988 -0.793 -6.461 1.00 0.00 H new ATOM 0 HB THR A 35 5.878 -3.587 -5.641 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.813 -3.473 -7.769 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.582 -4.389 -7.594 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.515 -3.640 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.956 -2.743 -7.855 1.00 0.00 H new ATOM 559 N TRP A 36 2.812 -1.071 -5.259 1.00 0.00 N ATOM 560 CA TRP A 36 1.531 -1.220 -4.513 1.00 0.00 C ATOM 561 C TRP A 36 0.704 -2.349 -5.137 1.00 0.00 C ATOM 562 O TRP A 36 0.080 -2.202 -6.183 1.00 0.00 O ATOM 563 CB TRP A 36 0.755 0.097 -4.565 1.00 0.00 C ATOM 564 CG TRP A 36 1.182 0.961 -3.417 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.902 2.102 -3.525 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.941 0.767 -1.992 1.00 0.00 C ATOM 567 NE1 TRP A 36 2.108 2.622 -2.262 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.536 1.837 -1.284 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.267 -0.220 -1.253 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.465 1.923 0.107 1.00 0.00 C ATOM 571 CZ3 TRP A 36 0.197 -0.138 0.146 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.794 0.929 0.823 1.00 0.00 C ATOM 0 H TRP A 36 2.787 -0.412 -6.037 1.00 0.00 H new ATOM 0 HA TRP A 36 1.738 -1.468 -3.472 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.942 0.607 -5.510 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.317 -0.095 -4.513 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.258 2.535 -4.448 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.622 3.483 -2.076 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.201 -1.048 -1.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.925 2.751 0.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.321 -0.904 0.703 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.736 0.985 1.900 1.00 0.00 H new ATOM 583 N THR A 37 0.694 -3.489 -4.509 1.00 0.00 N ATOM 584 CA THR A 37 -0.088 -4.615 -5.070 1.00 0.00 C ATOM 585 C THR A 37 -1.356 -4.826 -4.261 1.00 0.00 C ATOM 586 O THR A 37 -1.634 -4.131 -3.304 1.00 0.00 O ATOM 587 CB THR A 37 0.722 -5.912 -5.047 1.00 0.00 C ATOM 588 OG1 THR A 37 1.844 -5.759 -4.190 1.00 0.00 O ATOM 589 CG2 THR A 37 1.194 -6.258 -6.460 1.00 0.00 C ATOM 0 H THR A 37 1.189 -3.686 -3.640 1.00 0.00 H new ATOM 0 HA THR A 37 -0.336 -4.363 -6.101 1.00 0.00 H new ATOM 0 HB THR A 37 0.092 -6.720 -4.675 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.566 -5.891 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.770 -7.183 -6.435 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.329 -6.387 -7.111 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.819 -5.451 -6.842 1.00 0.00 H new ATOM 597 N VAL A 38 -2.130 -5.788 -4.655 1.00 0.00 N ATOM 598 CA VAL A 38 -3.393 -6.064 -3.946 1.00 0.00 C ATOM 599 C VAL A 38 -3.558 -7.579 -3.782 1.00 0.00 C ATOM 600 O VAL A 38 -2.648 -8.341 -4.040 1.00 0.00 O ATOM 601 CB VAL A 38 -4.530 -5.472 -4.780 1.00 0.00 C ATOM 602 CG1 VAL A 38 -4.959 -6.465 -5.856 1.00 0.00 C ATOM 603 CG2 VAL A 38 -5.712 -5.130 -3.880 1.00 0.00 C ATOM 0 H VAL A 38 -1.937 -6.400 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.399 -5.616 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.179 -4.560 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.769 -6.035 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.113 -6.684 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.302 -7.386 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.518 -4.709 -4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.065 -6.034 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.400 -4.402 -3.131 1.00 0.00 H new ATOM 650 N ALA A 43 -1.797 -9.862 -7.384 1.00 0.00 N ATOM 651 CA ALA A 43 -2.768 -8.819 -7.798 1.00 0.00 C ATOM 652 C ALA A 43 -2.114 -7.445 -7.646 1.00 0.00 C ATOM 653 O ALA A 43 -1.066 -7.318 -7.048 1.00 0.00 O ATOM 654 CB ALA A 43 -4.013 -8.903 -6.911 1.00 0.00 C ATOM 0 HA ALA A 43 -3.060 -8.972 -8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.728 -8.138 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.469 -9.887 -7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.730 -8.744 -5.870 1.00 0.00 H new ATOM 660 N ALA A 44 -2.711 -6.416 -8.180 1.00 0.00 N ATOM 661 CA ALA A 44 -2.098 -5.064 -8.052 1.00 0.00 C ATOM 662 C ALA A 44 -3.193 -4.014 -7.859 1.00 0.00 C ATOM 663 O ALA A 44 -4.328 -4.222 -8.238 1.00 0.00 O ATOM 664 CB ALA A 44 -1.304 -4.742 -9.320 1.00 0.00 C ATOM 0 H ALA A 44 -3.590 -6.451 -8.696 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.432 -5.053 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.855 -3.753 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.519 -5.485 -9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.972 -4.758 -10.181 1.00 0.00 H new ATOM 670 N LEU A 45 -2.870 -2.874 -7.294 1.00 0.00 N ATOM 671 CA LEU A 45 -3.935 -1.834 -7.126 1.00 0.00 C ATOM 672 C LEU A 45 -3.397 -0.470 -7.561 1.00 0.00 C ATOM 673 O LEU A 45 -2.233 -0.164 -7.398 1.00 0.00 O ATOM 674 CB LEU A 45 -4.461 -1.799 -5.675 1.00 0.00 C ATOM 675 CG LEU A 45 -3.457 -1.163 -4.708 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.080 -1.750 -4.935 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.419 0.354 -4.911 1.00 0.00 C ATOM 0 H LEU A 45 -1.943 -2.623 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.781 -2.092 -7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.396 -1.240 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.685 -2.814 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.769 -1.374 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.371 -1.293 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.111 -2.826 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.765 -1.554 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.702 0.796 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.119 0.577 -5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.409 0.771 -4.724 1.00 0.00 H new ATOM 728 N LEU A 49 -7.937 3.525 -7.642 1.00 0.00 N ATOM 729 CA LEU A 49 -7.746 4.538 -6.577 1.00 0.00 C ATOM 730 C LEU A 49 -6.576 5.444 -6.951 1.00 0.00 C ATOM 731 O LEU A 49 -6.115 5.455 -8.075 1.00 0.00 O ATOM 732 CB LEU A 49 -7.432 3.834 -5.258 1.00 0.00 C ATOM 733 CG LEU A 49 -6.184 2.971 -5.433 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.189 3.274 -4.312 1.00 0.00 C ATOM 735 CD2 LEU A 49 -6.580 1.499 -5.376 1.00 0.00 C ATOM 0 HA LEU A 49 -8.654 5.131 -6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.273 4.569 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.276 3.216 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.721 3.190 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.299 2.657 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.909 4.327 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.649 3.054 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.693 0.878 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.041 1.283 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.289 1.282 -6.175 1.00 0.00 H new ATOM 747 N LEU A 50 -6.086 6.193 -6.009 1.00 0.00 N ATOM 748 CA LEU A 50 -4.934 7.093 -6.290 1.00 0.00 C ATOM 749 C LEU A 50 -3.749 6.643 -5.442 1.00 0.00 C ATOM 750 O LEU A 50 -3.818 6.614 -4.227 1.00 0.00 O ATOM 751 CB LEU A 50 -5.300 8.535 -5.942 1.00 0.00 C ATOM 752 CG LEU A 50 -5.747 9.262 -7.211 1.00 0.00 C ATOM 753 CD1 LEU A 50 -4.582 9.311 -8.200 1.00 0.00 C ATOM 754 CD2 LEU A 50 -6.916 8.507 -7.849 1.00 0.00 C ATOM 0 H LEU A 50 -6.434 6.222 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.677 7.045 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.098 8.551 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.443 9.044 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.061 10.275 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.896 9.828 -9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.744 9.844 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.274 8.296 -8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.234 9.026 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.600 7.495 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.747 8.462 -7.145 1.00 0.00 H new ATOM 766 N VAL A 51 -2.667 6.270 -6.065 1.00 0.00 N ATOM 767 CA VAL A 51 -1.498 5.799 -5.280 1.00 0.00 C ATOM 768 C VAL A 51 -0.301 6.724 -5.480 1.00 0.00 C ATOM 769 O VAL A 51 0.252 6.826 -6.557 1.00 0.00 O ATOM 770 CB VAL A 51 -1.129 4.383 -5.723 1.00 0.00 C ATOM 771 CG1 VAL A 51 0.149 3.938 -5.011 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.268 3.427 -5.366 1.00 0.00 C ATOM 0 H VAL A 51 -2.543 6.271 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.764 5.802 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.965 4.372 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.410 2.928 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.962 4.619 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.012 3.949 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.007 2.417 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.430 3.441 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.180 3.741 -5.874 1.00 0.00 H new ATOM 782 N ASP A 52 0.117 7.374 -4.433 1.00 0.00 N ATOM 783 CA ASP A 52 1.297 8.270 -4.527 1.00 0.00 C ATOM 784 C ASP A 52 2.416 7.650 -3.693 1.00 0.00 C ATOM 785 O ASP A 52 2.177 6.788 -2.872 1.00 0.00 O ATOM 786 CB ASP A 52 0.944 9.653 -3.974 1.00 0.00 C ATOM 787 CG ASP A 52 0.706 10.620 -5.136 1.00 0.00 C ATOM 788 OD1 ASP A 52 -0.258 10.424 -5.857 1.00 0.00 O ATOM 789 OD2 ASP A 52 1.493 11.541 -5.284 1.00 0.00 O ATOM 0 H ASP A 52 -0.312 7.322 -3.509 1.00 0.00 H new ATOM 0 HA ASP A 52 1.610 8.383 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.052 9.591 -3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.751 10.020 -3.340 1.00 0.00 H new ATOM 794 N ALA A 53 3.632 8.054 -3.889 1.00 0.00 N ATOM 795 CA ALA A 53 4.720 7.443 -3.086 1.00 0.00 C ATOM 796 C ALA A 53 5.952 8.348 -3.096 1.00 0.00 C ATOM 797 O ALA A 53 6.214 9.051 -4.051 1.00 0.00 O ATOM 798 CB ALA A 53 5.056 6.073 -3.671 1.00 0.00 C ATOM 0 H ALA A 53 3.919 8.768 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 53 4.395 7.325 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.855 5.615 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.172 5.437 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.381 6.189 -4.705 1.00 0.00 H new ATOM 804 N LYS A 54 6.703 8.346 -2.027 1.00 0.00 N ATOM 805 CA LYS A 54 7.910 9.218 -1.962 1.00 0.00 C ATOM 806 C LYS A 54 9.176 8.369 -1.817 1.00 0.00 C ATOM 807 O LYS A 54 9.122 7.204 -1.473 1.00 0.00 O ATOM 808 CB LYS A 54 7.794 10.160 -0.763 1.00 0.00 C ATOM 809 CG LYS A 54 6.514 10.988 -0.881 1.00 0.00 C ATOM 810 CD LYS A 54 6.420 11.953 0.302 1.00 0.00 C ATOM 811 CE LYS A 54 5.108 12.734 0.224 1.00 0.00 C ATOM 812 NZ LYS A 54 5.344 14.144 0.643 1.00 0.00 N ATOM 0 H LYS A 54 6.532 7.778 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 54 7.975 9.796 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.783 9.586 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.662 10.818 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.513 11.544 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.644 10.332 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.471 11.400 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.266 12.641 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.716 12.706 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.359 12.273 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.452 14.676 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.700 14.161 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.045 14.581 0.012 1.00 0.00 H new ATOM 826 N SER A 55 10.308 8.975 -2.088 1.00 0.00 N ATOM 827 CA SER A 55 11.637 8.285 -2.004 1.00 0.00 C ATOM 828 C SER A 55 11.568 6.959 -1.235 1.00 0.00 C ATOM 829 O SER A 55 11.296 5.920 -1.802 1.00 0.00 O ATOM 830 CB SER A 55 12.634 9.214 -1.309 1.00 0.00 C ATOM 831 OG SER A 55 11.926 10.128 -0.483 1.00 0.00 O ATOM 0 H SER A 55 10.367 9.952 -2.374 1.00 0.00 H new ATOM 0 HA SER A 55 11.953 8.055 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.334 8.632 -0.710 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.222 9.756 -2.050 1.00 0.00 H new ATOM 0 HG SER A 55 12.562 10.724 -0.035 1.00 0.00 H new ATOM 837 N SER A 56 11.851 6.978 0.041 1.00 0.00 N ATOM 838 CA SER A 56 11.844 5.708 0.825 1.00 0.00 C ATOM 839 C SER A 56 10.497 5.484 1.518 1.00 0.00 C ATOM 840 O SER A 56 10.364 4.598 2.330 1.00 0.00 O ATOM 841 CB SER A 56 12.941 5.777 1.888 1.00 0.00 C ATOM 842 OG SER A 56 14.211 5.786 1.252 1.00 0.00 O ATOM 0 H SER A 56 12.086 7.816 0.573 1.00 0.00 H new ATOM 0 HA SER A 56 12.018 4.880 0.138 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.819 6.674 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.865 4.923 2.562 1.00 0.00 H new ATOM 0 HG SER A 56 14.620 4.899 1.326 1.00 0.00 H new ATOM 848 N THR A 57 9.499 6.259 1.215 1.00 0.00 N ATOM 849 CA THR A 57 8.179 6.051 1.885 1.00 0.00 C ATOM 850 C THR A 57 7.079 6.110 0.833 1.00 0.00 C ATOM 851 O THR A 57 7.350 6.129 -0.350 1.00 0.00 O ATOM 852 CB THR A 57 7.956 7.162 2.915 1.00 0.00 C ATOM 853 OG1 THR A 57 6.842 6.848 3.737 1.00 0.00 O ATOM 854 CG2 THR A 57 7.684 8.468 2.183 1.00 0.00 C ATOM 0 H THR A 57 9.533 7.022 0.539 1.00 0.00 H new ATOM 0 HA THR A 57 8.163 5.082 2.385 1.00 0.00 H new ATOM 0 HB THR A 57 8.844 7.258 3.539 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.817 7.460 4.502 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.524 9.265 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.538 8.717 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.795 8.359 1.562 1.00 0.00 H new ATOM 862 N THR A 58 5.839 6.162 1.240 1.00 0.00 N ATOM 863 CA THR A 58 4.760 6.248 0.225 1.00 0.00 C ATOM 864 C THR A 58 3.378 6.277 0.884 1.00 0.00 C ATOM 865 O THR A 58 3.221 5.985 2.052 1.00 0.00 O ATOM 866 CB THR A 58 4.840 5.040 -0.712 1.00 0.00 C ATOM 867 OG1 THR A 58 3.796 5.124 -1.668 1.00 0.00 O ATOM 868 CG2 THR A 58 4.685 3.745 0.092 1.00 0.00 C ATOM 0 H THR A 58 5.534 6.149 2.213 1.00 0.00 H new ATOM 0 HA THR A 58 4.897 7.173 -0.336 1.00 0.00 H new ATOM 0 HB THR A 58 5.807 5.037 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.942 4.903 -1.240 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.743 2.890 -0.581 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.482 3.679 0.832 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.719 3.744 0.598 1.00 0.00 H new ATOM 876 N SER A 59 2.374 6.613 0.116 1.00 0.00 N ATOM 877 CA SER A 59 0.983 6.653 0.648 1.00 0.00 C ATOM 878 C SER A 59 0.016 6.552 -0.529 1.00 0.00 C ATOM 879 O SER A 59 0.287 7.033 -1.610 1.00 0.00 O ATOM 880 CB SER A 59 0.750 7.960 1.408 1.00 0.00 C ATOM 881 OG SER A 59 1.954 8.347 2.056 1.00 0.00 O ATOM 0 H SER A 59 2.462 6.864 -0.869 1.00 0.00 H new ATOM 0 HA SER A 59 0.822 5.823 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.426 8.741 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.046 7.831 2.141 1.00 0.00 H new ATOM 0 HG SER A 59 1.809 9.185 2.543 1.00 0.00 H new ATOM 887 N ILE A 60 -1.096 5.905 -0.347 1.00 0.00 N ATOM 888 CA ILE A 60 -2.042 5.747 -1.483 1.00 0.00 C ATOM 889 C ILE A 60 -3.479 5.849 -0.974 1.00 0.00 C ATOM 890 O ILE A 60 -3.877 5.161 -0.063 1.00 0.00 O ATOM 891 CB ILE A 60 -1.774 4.382 -2.132 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.505 3.271 -1.372 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.268 4.105 -2.076 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.259 1.930 -2.071 1.00 0.00 C ATOM 0 H ILE A 60 -1.391 5.481 0.532 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.900 6.534 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.131 4.400 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.152 3.227 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.573 3.483 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.059 3.138 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.266 4.886 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.062 4.094 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.778 1.138 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.633 1.979 -3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.190 1.718 -2.086 1.00 0.00 H new ATOM 906 N PHE A 61 -4.262 6.718 -1.537 1.00 0.00 N ATOM 907 CA PHE A 61 -5.657 6.853 -1.039 1.00 0.00 C ATOM 908 C PHE A 61 -6.643 6.136 -1.946 1.00 0.00 C ATOM 909 O PHE A 61 -6.360 5.813 -3.082 1.00 0.00 O ATOM 910 CB PHE A 61 -6.072 8.326 -0.950 1.00 0.00 C ATOM 911 CG PHE A 61 -5.111 9.215 -1.678 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.965 9.666 -1.025 1.00 0.00 C ATOM 913 CD2 PHE A 61 -5.384 9.612 -2.988 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.082 10.517 -1.681 1.00 0.00 C ATOM 915 CE2 PHE A 61 -4.502 10.463 -3.653 1.00 0.00 C ATOM 916 CZ PHE A 61 -3.345 10.920 -3.000 1.00 0.00 C ATOM 0 H PHE A 61 -4.005 7.333 -2.309 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.678 6.401 -0.047 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.071 8.449 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.126 8.627 0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.763 9.355 -0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.276 9.261 -3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.194 10.868 -1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.708 10.770 -4.668 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.660 11.580 -3.511 1.00 0.00 H new ATOM 926 N PHE A 62 -7.817 5.915 -1.431 1.00 0.00 N ATOM 927 CA PHE A 62 -8.887 5.251 -2.211 1.00 0.00 C ATOM 928 C PHE A 62 -9.946 6.314 -2.487 1.00 0.00 C ATOM 929 O PHE A 62 -10.956 6.350 -1.823 1.00 0.00 O ATOM 930 CB PHE A 62 -9.528 4.133 -1.378 1.00 0.00 C ATOM 931 CG PHE A 62 -8.554 2.999 -1.108 1.00 0.00 C ATOM 932 CD1 PHE A 62 -7.240 3.255 -0.680 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.984 1.676 -1.276 1.00 0.00 C ATOM 934 CE1 PHE A 62 -6.365 2.189 -0.427 1.00 0.00 C ATOM 935 CE2 PHE A 62 -8.108 0.614 -1.023 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.799 0.870 -0.600 1.00 0.00 C ATOM 0 H PHE A 62 -8.083 6.174 -0.481 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.485 4.821 -3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.880 4.542 -0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.401 3.745 -1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.904 4.273 -0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.994 1.475 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.355 2.386 -0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.443 -0.404 -1.154 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.124 0.050 -0.407 1.00 0.00 H new ATOM 946 N PRO A 63 -9.676 7.163 -3.441 1.00 0.00 N ATOM 947 CA PRO A 63 -10.584 8.272 -3.793 1.00 0.00 C ATOM 948 C PRO A 63 -11.901 7.722 -4.331 1.00 0.00 C ATOM 949 O PRO A 63 -12.879 8.428 -4.478 1.00 0.00 O ATOM 950 CB PRO A 63 -9.799 9.054 -4.852 1.00 0.00 C ATOM 951 CG PRO A 63 -8.772 8.059 -5.426 1.00 0.00 C ATOM 952 CD PRO A 63 -8.475 7.069 -4.290 1.00 0.00 C ATOM 0 HA PRO A 63 -10.861 8.903 -2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.461 9.428 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.303 9.919 -4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.171 7.544 -6.300 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.865 8.573 -5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.326 6.057 -4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.573 7.342 -3.743 1.00 0.00 H new ATOM 960 N SER A 64 -11.927 6.455 -4.601 1.00 0.00 N ATOM 961 CA SER A 64 -13.169 5.814 -5.104 1.00 0.00 C ATOM 962 C SER A 64 -13.290 4.421 -4.479 1.00 0.00 C ATOM 963 O SER A 64 -13.417 3.433 -5.174 1.00 0.00 O ATOM 964 CB SER A 64 -13.099 5.686 -6.627 1.00 0.00 C ATOM 965 OG SER A 64 -14.417 5.667 -7.158 1.00 0.00 O ATOM 0 H SER A 64 -11.132 5.825 -4.494 1.00 0.00 H new ATOM 0 HA SER A 64 -14.035 6.420 -4.836 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.537 6.520 -7.048 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.570 4.774 -6.903 1.00 0.00 H new ATOM 0 HG SER A 64 -14.375 5.587 -8.134 1.00 0.00 H new ATOM 971 N ALA A 65 -13.243 4.326 -3.171 1.00 0.00 N ATOM 972 CA ALA A 65 -13.346 2.984 -2.534 1.00 0.00 C ATOM 973 C ALA A 65 -14.807 2.575 -2.421 1.00 0.00 C ATOM 974 O ALA A 65 -15.667 3.375 -2.107 1.00 0.00 O ATOM 975 CB ALA A 65 -12.736 3.003 -1.138 1.00 0.00 C ATOM 0 H ALA A 65 -13.139 5.111 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.804 2.272 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.822 2.013 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.684 3.282 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.265 3.728 -0.520 1.00 0.00 H new ATOM 981 N LYS A 66 -15.075 1.323 -2.664 1.00 0.00 N ATOM 982 CA LYS A 66 -16.471 0.806 -2.578 1.00 0.00 C ATOM 983 C LYS A 66 -16.444 -0.639 -2.070 1.00 0.00 C ATOM 984 O LYS A 66 -15.396 -1.201 -1.824 1.00 0.00 O ATOM 985 CB LYS A 66 -17.115 0.840 -3.967 1.00 0.00 C ATOM 986 CG LYS A 66 -17.473 2.280 -4.338 1.00 0.00 C ATOM 987 CD LYS A 66 -18.968 2.510 -4.111 1.00 0.00 C ATOM 988 CE LYS A 66 -19.707 2.414 -5.447 1.00 0.00 C ATOM 989 NZ LYS A 66 -21.018 3.115 -5.342 1.00 0.00 N ATOM 0 H LYS A 66 -14.377 0.626 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.048 1.427 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.430 0.424 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.011 0.219 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.891 2.977 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.219 2.472 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.359 1.770 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.132 3.490 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.107 2.860 -6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.862 1.369 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.520 3.050 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.591 2.670 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.859 4.115 -5.106 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.591 -1.244 -1.915 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.634 -2.653 -1.426 1.00 0.00 C ATOM 1005 C ARG A 67 -16.580 -3.486 -2.159 1.00 0.00 C ATOM 1006 O ARG A 67 -15.861 -4.261 -1.561 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.021 -3.241 -1.693 1.00 0.00 C ATOM 1008 CG ARG A 67 -20.018 -2.688 -0.673 1.00 0.00 C ATOM 1009 CD ARG A 67 -21.193 -3.658 -0.527 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.949 -3.720 -1.810 1.00 0.00 N ATOM 1011 CZ ARG A 67 -23.251 -3.638 -1.805 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -23.932 -4.127 -0.805 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -23.873 -3.067 -2.800 1.00 0.00 N ATOM 0 H ARG A 67 -18.500 -0.824 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.428 -2.670 -0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.344 -2.992 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.985 -4.328 -1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.528 -2.547 0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -20.378 -1.710 -0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.829 -4.650 -0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -21.850 -3.331 0.279 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.448 -3.827 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -23.446 -4.573 -0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -24.950 -4.063 -0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.341 -2.685 -3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -24.891 -3.003 -2.796 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.492 -3.341 -3.453 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.497 -4.128 -4.228 1.00 0.00 C ATOM 1029 C ALA A 68 -14.084 -3.845 -3.714 1.00 0.00 C ATOM 1030 O ALA A 68 -13.271 -4.738 -3.587 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.584 -3.740 -5.704 1.00 0.00 C ATOM 0 H ALA A 68 -17.069 -2.708 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.713 -5.190 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.855 -4.315 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.586 -3.951 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.373 -2.676 -5.814 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.780 -2.609 -3.422 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.415 -2.279 -2.924 1.00 0.00 C ATOM 1039 C ASP A 69 -12.026 -3.254 -1.815 1.00 0.00 C ATOM 1040 O ASP A 69 -10.862 -3.502 -1.573 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.399 -0.852 -2.375 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.989 0.115 -3.486 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -12.732 0.233 -4.446 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.938 0.722 -3.359 1.00 0.00 O ATOM 0 H ASP A 69 -14.416 -1.816 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.703 -2.359 -3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.385 -0.587 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.703 -0.780 -1.540 1.00 0.00 H new ATOM 1049 N SER A 70 -12.991 -3.811 -1.138 1.00 0.00 N ATOM 1050 CA SER A 70 -12.668 -4.770 -0.047 1.00 0.00 C ATOM 1051 C SER A 70 -11.774 -5.879 -0.607 1.00 0.00 C ATOM 1052 O SER A 70 -12.231 -6.791 -1.266 1.00 0.00 O ATOM 1053 CB SER A 70 -13.963 -5.367 0.511 1.00 0.00 C ATOM 1054 OG SER A 70 -14.167 -6.663 -0.034 1.00 0.00 O ATOM 0 H SER A 70 -13.985 -3.644 -1.293 1.00 0.00 H new ATOM 0 HA SER A 70 -12.144 -4.255 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.910 -5.424 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.807 -4.722 0.266 1.00 0.00 H new ATOM 0 HG SER A 70 -13.836 -6.686 -0.956 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.495 -5.800 -0.361 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.574 -6.847 -0.889 1.00 0.00 C ATOM 1062 C GLY A 71 -8.336 -6.951 0.003 1.00 0.00 C ATOM 1063 O GLY A 71 -8.338 -6.522 1.142 1.00 0.00 O ATOM 0 H GLY A 71 -10.049 -5.059 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.087 -7.808 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.278 -6.602 -1.909 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.276 -7.517 -0.506 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.037 -7.651 0.310 1.00 0.00 C ATOM 1069 C ASN A 72 -4.943 -6.770 -0.289 1.00 0.00 C ATOM 1070 O ASN A 72 -4.192 -7.194 -1.144 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.578 -9.110 0.304 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.267 -9.868 1.440 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -7.102 -9.321 2.132 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -5.951 -11.115 1.663 1.00 0.00 N ATOM 0 H ASN A 72 -7.215 -7.893 -1.452 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.238 -7.339 1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.817 -9.573 -0.653 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.496 -9.162 0.422 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.405 -11.629 2.418 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.250 -11.575 1.082 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.843 -5.548 0.151 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.795 -4.649 -0.401 1.00 0.00 C ATOM 1083 C TYR A 73 -2.428 -5.087 0.124 1.00 0.00 C ATOM 1084 O TYR A 73 -2.175 -5.080 1.310 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.093 -3.208 0.014 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.157 -2.653 -0.904 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.411 -3.273 -0.971 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -4.887 -1.534 -1.701 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.396 -2.771 -1.830 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -5.872 -1.034 -2.563 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.126 -1.653 -2.627 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.098 -1.161 -3.474 1.00 0.00 O ATOM 0 H TYR A 73 -5.440 -5.134 0.867 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.789 -4.706 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.432 -3.175 1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.189 -2.602 -0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.618 -4.139 -0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.920 -1.056 -1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.364 -3.247 -1.878 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.664 -0.171 -3.178 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.512 -0.369 -3.072 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.544 -5.478 -0.753 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.194 -5.925 -0.304 1.00 0.00 C ATOM 1104 C LYS A 74 0.867 -5.063 -0.981 1.00 0.00 C ATOM 1105 O LYS A 74 0.895 -4.942 -2.187 1.00 0.00 O ATOM 1106 CB LYS A 74 0.014 -7.391 -0.691 1.00 0.00 C ATOM 1107 CG LYS A 74 1.062 -8.019 0.229 1.00 0.00 C ATOM 1108 CD LYS A 74 0.530 -9.345 0.779 1.00 0.00 C ATOM 1109 CE LYS A 74 0.655 -9.353 2.304 1.00 0.00 C ATOM 1110 NZ LYS A 74 0.293 -10.701 2.826 1.00 0.00 N ATOM 0 H LYS A 74 -1.698 -5.507 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.114 -5.824 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.927 -7.936 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.338 -7.461 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.989 -8.186 -0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.295 -7.340 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.512 -9.479 0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.090 -10.178 0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.674 -9.099 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.001 -8.596 2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.378 -10.706 3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.686 -10.926 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.934 -11.413 2.422 1.00 0.00 H new ATOM 1124 N LEU A 75 1.734 -4.456 -0.220 1.00 0.00 N ATOM 1125 CA LEU A 75 2.780 -3.592 -0.837 1.00 0.00 C ATOM 1126 C LEU A 75 4.152 -4.252 -0.687 1.00 0.00 C ATOM 1127 O LEU A 75 4.425 -4.929 0.280 1.00 0.00 O ATOM 1128 CB LEU A 75 2.763 -2.229 -0.134 1.00 0.00 C ATOM 1129 CG LEU A 75 4.053 -1.456 -0.415 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.708 -0.122 -1.068 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.778 -1.195 0.904 1.00 0.00 C ATOM 0 H LEU A 75 1.764 -4.520 0.798 1.00 0.00 H new ATOM 0 HA LEU A 75 2.579 -3.458 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.905 -1.650 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.645 -2.370 0.940 1.00 0.00 H new ATOM 0 HG LEU A 75 4.692 -2.037 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.625 0.432 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.179 -0.301 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.074 0.458 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.699 -0.644 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.136 -0.609 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.017 -2.145 1.382 1.00 0.00 H new ATOM 1143 N LYS A 76 5.019 -4.059 -1.643 1.00 0.00 N ATOM 1144 CA LYS A 76 6.373 -4.670 -1.555 1.00 0.00 C ATOM 1145 C LYS A 76 7.408 -3.685 -2.104 1.00 0.00 C ATOM 1146 O LYS A 76 7.482 -3.451 -3.295 1.00 0.00 O ATOM 1147 CB LYS A 76 6.406 -5.959 -2.380 1.00 0.00 C ATOM 1148 CG LYS A 76 6.141 -7.159 -1.467 1.00 0.00 C ATOM 1149 CD LYS A 76 6.273 -8.452 -2.274 1.00 0.00 C ATOM 1150 CE LYS A 76 5.186 -9.439 -1.842 1.00 0.00 C ATOM 1151 NZ LYS A 76 3.915 -9.119 -2.552 1.00 0.00 N ATOM 0 H LYS A 76 4.847 -3.504 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 76 6.604 -4.901 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.656 -5.917 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.375 -6.067 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.848 -7.162 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.143 -7.088 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.183 -8.239 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.259 -8.890 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.495 -10.459 -2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.037 -9.383 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.176 -9.789 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.619 -8.151 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.063 -9.193 -3.579 1.00 0.00 H new ATOM 1165 N VAL A 77 8.212 -3.105 -1.252 1.00 0.00 N ATOM 1166 CA VAL A 77 9.237 -2.143 -1.744 1.00 0.00 C ATOM 1167 C VAL A 77 10.616 -2.793 -1.654 1.00 0.00 C ATOM 1168 O VAL A 77 11.002 -3.318 -0.631 1.00 0.00 O ATOM 1169 CB VAL A 77 9.196 -0.857 -0.909 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.742 -0.497 -0.617 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.943 -1.051 0.415 1.00 0.00 C ATOM 0 H VAL A 77 8.202 -3.256 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 77 9.028 -1.884 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 77 9.678 -0.056 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.705 0.417 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.210 -0.341 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.270 -1.309 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.903 -0.128 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.475 -1.856 0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.983 -1.307 0.212 1.00 0.00 H new ATOM 1181 N LYS A 78 11.354 -2.775 -2.726 1.00 0.00 N ATOM 1182 CA LYS A 78 12.702 -3.411 -2.711 1.00 0.00 C ATOM 1183 C LYS A 78 13.794 -2.344 -2.803 1.00 0.00 C ATOM 1184 O LYS A 78 13.525 -1.178 -3.010 1.00 0.00 O ATOM 1185 CB LYS A 78 12.822 -4.362 -3.903 1.00 0.00 C ATOM 1186 CG LYS A 78 11.469 -5.026 -4.163 1.00 0.00 C ATOM 1187 CD LYS A 78 11.679 -6.340 -4.919 1.00 0.00 C ATOM 1188 CE LYS A 78 10.375 -7.140 -4.925 1.00 0.00 C ATOM 1189 NZ LYS A 78 9.978 -7.432 -6.332 1.00 0.00 N ATOM 0 H LYS A 78 11.084 -2.348 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 78 12.825 -3.962 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.146 -3.814 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.579 -5.120 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.958 -5.215 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.831 -4.359 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.998 -6.137 -5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.472 -6.920 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.504 -8.070 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.588 -6.577 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.092 -7.976 -6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.839 -6.539 -6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.726 -7.986 -6.796 1.00 0.00 H new ATOM 1203 N ASN A 79 15.029 -2.742 -2.655 1.00 0.00 N ATOM 1204 CA ASN A 79 16.150 -1.763 -2.736 1.00 0.00 C ATOM 1205 C ASN A 79 17.298 -2.371 -3.545 1.00 0.00 C ATOM 1206 O ASN A 79 17.390 -3.574 -3.698 1.00 0.00 O ATOM 1207 CB ASN A 79 16.642 -1.428 -1.327 1.00 0.00 C ATOM 1208 CG ASN A 79 17.716 -0.343 -1.408 1.00 0.00 C ATOM 1209 OD1 ASN A 79 18.741 -0.436 -0.763 1.00 0.00 O ATOM 1210 ND2 ASN A 79 17.523 0.690 -2.182 1.00 0.00 N ATOM 0 H ASN A 79 15.310 -3.707 -2.481 1.00 0.00 H new ATOM 0 HA ASN A 79 15.801 -0.852 -3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.810 -1.086 -0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 79 17.046 -2.320 -0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.233 1.420 -2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 79 16.662 0.768 -2.724 1.00 0.00 H new ATOM 1217 N GLU A 80 18.171 -1.544 -4.063 1.00 0.00 N ATOM 1218 CA GLU A 80 19.321 -2.052 -4.870 1.00 0.00 C ATOM 1219 C GLU A 80 19.847 -3.358 -4.270 1.00 0.00 C ATOM 1220 O GLU A 80 20.106 -4.315 -4.973 1.00 0.00 O ATOM 1221 CB GLU A 80 20.441 -1.008 -4.870 1.00 0.00 C ATOM 1222 CG GLU A 80 21.400 -1.285 -6.029 1.00 0.00 C ATOM 1223 CD GLU A 80 22.282 -2.486 -5.685 1.00 0.00 C ATOM 1224 OE1 GLU A 80 22.740 -2.556 -4.557 1.00 0.00 O ATOM 1225 OE2 GLU A 80 22.484 -3.316 -6.556 1.00 0.00 O ATOM 0 H GLU A 80 18.135 -0.530 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 80 18.987 -2.237 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.019 -0.007 -4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.980 -1.038 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.837 -1.483 -6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.019 -0.408 -6.220 1.00 0.00 H new ATOM 1232 N LEU A 81 20.004 -3.408 -2.977 1.00 0.00 N ATOM 1233 CA LEU A 81 20.510 -4.654 -2.338 1.00 0.00 C ATOM 1234 C LEU A 81 19.706 -4.933 -1.067 1.00 0.00 C ATOM 1235 O LEU A 81 20.257 -5.240 -0.028 1.00 0.00 O ATOM 1236 CB LEU A 81 21.990 -4.484 -1.985 1.00 0.00 C ATOM 1237 CG LEU A 81 22.794 -5.637 -2.588 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.241 -6.968 -2.078 1.00 0.00 C ATOM 1239 CD2 LEU A 81 22.683 -5.592 -4.114 1.00 0.00 C ATOM 0 H LEU A 81 19.804 -2.641 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 81 20.399 -5.490 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.359 -3.531 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 81 22.117 -4.465 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 81 23.840 -5.542 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.814 -7.789 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.318 -7.002 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.195 -7.064 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.256 -6.413 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 81 21.637 -5.687 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 81 23.077 -4.644 -4.480 1.00 0.00 H new ATOM 1251 N GLY A 82 18.406 -4.828 -1.139 1.00 0.00 N ATOM 1252 CA GLY A 82 17.571 -5.088 0.069 1.00 0.00 C ATOM 1253 C GLY A 82 16.127 -5.365 -0.351 1.00 0.00 C ATOM 1254 O GLY A 82 15.809 -5.404 -1.522 1.00 0.00 O ATOM 0 H GLY A 82 17.887 -4.574 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.969 -5.939 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.606 -4.229 0.739 1.00 0.00 H new ATOM 1258 N GLU A 83 15.248 -5.555 0.597 1.00 0.00 N ATOM 1259 CA GLU A 83 13.826 -5.824 0.244 1.00 0.00 C ATOM 1260 C GLU A 83 12.955 -5.757 1.500 1.00 0.00 C ATOM 1261 O GLU A 83 13.362 -6.146 2.577 1.00 0.00 O ATOM 1262 CB GLU A 83 13.704 -7.215 -0.378 1.00 0.00 C ATOM 1263 CG GLU A 83 13.706 -7.099 -1.904 1.00 0.00 C ATOM 1264 CD GLU A 83 13.000 -8.314 -2.509 1.00 0.00 C ATOM 1265 OE1 GLU A 83 11.815 -8.470 -2.262 1.00 0.00 O ATOM 1266 OE2 GLU A 83 13.656 -9.068 -3.209 1.00 0.00 O ATOM 0 H GLU A 83 15.453 -5.535 1.596 1.00 0.00 H new ATOM 0 HA GLU A 83 13.491 -5.072 -0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.531 -7.844 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.785 -7.695 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.202 -6.182 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.730 -7.039 -2.273 1.00 0.00 H new ATOM 1273 N ASP A 84 11.756 -5.269 1.360 1.00 0.00 N ATOM 1274 CA ASP A 84 10.834 -5.172 2.526 1.00 0.00 C ATOM 1275 C ASP A 84 9.402 -5.028 2.008 1.00 0.00 C ATOM 1276 O ASP A 84 9.182 -4.662 0.870 1.00 0.00 O ATOM 1277 CB ASP A 84 11.205 -3.955 3.373 1.00 0.00 C ATOM 1278 CG ASP A 84 12.076 -4.400 4.549 1.00 0.00 C ATOM 1279 OD1 ASP A 84 12.108 -5.590 4.820 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.698 -3.546 5.159 1.00 0.00 O ATOM 0 H ASP A 84 11.371 -4.929 0.479 1.00 0.00 H new ATOM 0 HA ASP A 84 10.915 -6.068 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.740 -3.225 2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.303 -3.465 3.739 1.00 0.00 H new ATOM 1285 N GLU A 85 8.424 -5.318 2.820 1.00 0.00 N ATOM 1286 CA GLU A 85 7.022 -5.201 2.344 1.00 0.00 C ATOM 1287 C GLU A 85 6.084 -4.897 3.515 1.00 0.00 C ATOM 1288 O GLU A 85 6.495 -4.814 4.655 1.00 0.00 O ATOM 1289 CB GLU A 85 6.619 -6.520 1.681 1.00 0.00 C ATOM 1290 CG GLU A 85 6.243 -7.554 2.747 1.00 0.00 C ATOM 1291 CD GLU A 85 6.102 -8.931 2.097 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.807 -9.184 1.134 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.291 -9.709 2.572 1.00 0.00 O ATOM 0 H GLU A 85 8.535 -5.629 3.785 1.00 0.00 H new ATOM 0 HA GLU A 85 6.947 -4.384 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.776 -6.356 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.442 -6.896 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.006 -7.584 3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.308 -7.271 3.229 1.00 0.00 H new ATOM 1300 N ALA A 86 4.821 -4.740 3.231 1.00 0.00 N ATOM 1301 CA ALA A 86 3.832 -4.450 4.302 1.00 0.00 C ATOM 1302 C ALA A 86 2.480 -5.044 3.900 1.00 0.00 C ATOM 1303 O ALA A 86 2.106 -5.035 2.740 1.00 0.00 O ATOM 1304 CB ALA A 86 3.693 -2.936 4.478 1.00 0.00 C ATOM 0 H ALA A 86 4.429 -4.801 2.291 1.00 0.00 H new ATOM 0 HA ALA A 86 4.166 -4.889 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.967 -2.726 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.659 -2.512 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.354 -2.491 3.543 1.00 0.00 H new ATOM 1310 N ILE A 87 1.748 -5.566 4.844 1.00 0.00 N ATOM 1311 CA ILE A 87 0.425 -6.164 4.514 1.00 0.00 C ATOM 1312 C ILE A 87 -0.676 -5.135 4.768 1.00 0.00 C ATOM 1313 O ILE A 87 -0.615 -4.363 5.705 1.00 0.00 O ATOM 1314 CB ILE A 87 0.195 -7.400 5.390 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.236 -7.922 5.183 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.418 -7.039 6.861 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.235 -7.107 6.015 1.00 0.00 C ATOM 0 H ILE A 87 2.009 -5.604 5.829 1.00 0.00 H new ATOM 0 HA ILE A 87 0.405 -6.458 3.464 1.00 0.00 H new ATOM 0 HB ILE A 87 0.901 -8.181 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.501 -7.863 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.290 -8.973 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.254 -7.920 7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.440 -6.685 6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.280 -6.255 7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.242 -7.492 5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.980 -7.188 7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.194 -6.061 5.711 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.685 -5.119 3.943 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.793 -4.143 4.138 1.00 0.00 C ATOM 1331 C PHE A 88 -4.130 -4.817 3.823 1.00 0.00 C ATOM 1332 O PHE A 88 -4.579 -4.831 2.694 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.602 -2.943 3.203 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.219 -2.363 3.386 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.110 -3.006 2.824 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -1.047 -1.181 4.118 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.171 -2.467 2.994 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.235 -0.645 4.288 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.343 -1.289 3.725 1.00 0.00 C ATOM 0 H PHE A 88 -1.790 -5.740 3.141 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.787 -3.801 5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.742 -3.252 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.355 -2.184 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.242 -3.917 2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.903 -0.684 4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.027 -2.962 2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.369 0.265 4.853 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.332 -0.875 3.856 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.780 -5.362 4.814 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.094 -6.016 4.567 1.00 0.00 C ATOM 1351 C GLU A 89 -7.149 -4.919 4.462 1.00 0.00 C ATOM 1352 O GLU A 89 -7.442 -4.234 5.421 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.434 -6.952 5.730 1.00 0.00 C ATOM 1354 CG GLU A 89 -5.442 -8.116 5.756 1.00 0.00 C ATOM 1355 CD GLU A 89 -6.071 -9.308 6.480 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -7.265 -9.264 6.726 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -5.347 -10.245 6.775 1.00 0.00 O ATOM 0 H GLU A 89 -4.458 -5.382 5.782 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.061 -6.602 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.395 -6.406 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.451 -7.329 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.169 -8.398 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.524 -7.814 6.260 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.698 -4.719 3.298 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.700 -3.634 3.141 1.00 0.00 C ATOM 1366 C VAL A 90 -10.111 -4.204 3.044 1.00 0.00 C ATOM 1367 O VAL A 90 -10.408 -5.044 2.217 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.370 -2.832 1.883 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.027 -1.453 1.964 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.851 -2.669 1.782 1.00 0.00 C ATOM 0 H VAL A 90 -7.497 -5.256 2.455 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.661 -2.985 4.016 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.746 -3.356 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.790 -0.884 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.108 -1.569 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.652 -0.922 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.605 -2.098 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.482 -2.142 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.383 -3.652 1.725 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.986 -3.729 3.886 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.396 -4.202 3.868 1.00 0.00 C ATOM 1382 C ILE A 91 -13.279 -3.011 3.511 1.00 0.00 C ATOM 1383 O ILE A 91 -12.930 -1.884 3.791 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.769 -4.714 5.262 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -14.092 -5.490 5.194 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -12.903 -3.527 6.224 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -15.274 -4.523 5.070 1.00 0.00 C ATOM 0 H ILE A 91 -10.780 -3.024 4.594 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.528 -5.006 3.144 1.00 0.00 H new ATOM 0 HB ILE A 91 -11.988 -5.382 5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -14.079 -6.169 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -14.208 -6.103 6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -13.169 -3.891 7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.955 -2.992 6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.681 -2.853 5.865 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -16.204 -5.089 5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -15.295 -3.862 5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.165 -3.929 4.163 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.412 -3.224 2.910 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.260 -2.052 2.576 1.00 0.00 C ATOM 1401 C VAL A 92 -16.739 -2.398 2.700 1.00 0.00 C ATOM 1402 O VAL A 92 -17.162 -3.503 2.424 1.00 0.00 O ATOM 1403 CB VAL A 92 -14.952 -1.585 1.158 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -15.990 -0.549 0.723 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.565 -0.948 1.140 1.00 0.00 C ATOM 0 H VAL A 92 -14.781 -4.136 2.641 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.037 -1.250 3.280 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.982 -2.434 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.769 -0.216 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.984 -0.996 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.958 0.304 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.333 -0.610 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.547 -0.097 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.824 -1.682 1.456 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.529 -1.445 3.114 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.991 -1.696 3.259 1.00 0.00 C ATOM 1417 C GLN A 93 -19.764 -0.429 2.889 1.00 0.00 C ATOM 1418 O GLN A 93 -20.441 -0.447 1.874 1.00 0.00 O ATOM 1419 CB GLN A 93 -19.304 -2.079 4.708 1.00 0.00 C ATOM 1420 CG GLN A 93 -20.300 -3.240 4.723 1.00 0.00 C ATOM 1421 CD GLN A 93 -19.732 -4.390 5.557 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -19.947 -5.545 5.247 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -19.010 -4.121 6.610 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.668 0.537 3.627 1.00 0.00 O ATOM 0 H GLN A 93 -17.225 -0.503 3.358 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.287 -2.510 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.388 -2.364 5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.718 -1.223 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -21.252 -2.911 5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -20.497 -3.577 3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -18.829 -3.151 6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -18.626 -4.880 7.173 1.00 0.00 H new