USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot 63:sc= -9.44! USER MOD Set 1.2: A 60 ASN : amide:sc= -20.7! C(o=-30!,f=-24!) USER MOD Set 2.1: A 16 SER OG : rot -27:sc= 0.303 USER MOD Set 2.2: A 66 ASN : amide:sc= 0.336 K(o=0.64,f=1.2) USER MOD Single : A 20 HIS : no HE2:sc= -6.96! C(o=-7!,f=-9.4!) USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.445) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 121:sc= 0.88 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.09! K(o=-2.1!,f=0.11) USER MOD Single : A 48 MET CE :methyl -124:sc= -8.86! (180deg=-16.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0215) USER MOD Single : A 53 ASN : amide:sc= -10.3! C(o=-10!,f=-6.1!) USER MOD Single : A 54 GLN : amide:sc= 0.00574 X(o=0.0057,f=-0.0023) USER MOD Single : A 59 MET CE :methyl -164:sc= 0 (180deg=-0.301) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0712 K(o=-0.071,f=-0.83) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 84:sc= -3.45! USER MOD Single : A 73 THR OG1 : rot 119:sc= -0.167 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 16 -12.105 4.862 1.185 1.00 0.00 N ATOM 49 CA SER A 16 -10.689 4.515 1.223 1.00 0.00 C ATOM 50 C SER A 16 -10.326 3.852 2.549 1.00 0.00 C ATOM 51 O SER A 16 -10.949 4.112 3.577 1.00 0.00 O ATOM 52 CB SER A 16 -9.831 5.762 1.012 1.00 0.00 C ATOM 53 OG SER A 16 -9.931 6.644 2.117 1.00 0.00 O ATOM 0 HA SER A 16 -10.493 3.807 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.790 5.471 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.147 6.275 0.104 1.00 0.00 H new ATOM 0 HG SER A 16 -10.800 6.524 2.554 1.00 0.00 H new ATOM 59 N ARG A 17 -9.311 2.994 2.515 1.00 0.00 N ATOM 60 CA ARG A 17 -8.859 2.292 3.710 1.00 0.00 C ATOM 61 C ARG A 17 -7.678 1.384 3.388 1.00 0.00 C ATOM 62 O ARG A 17 -6.627 1.463 4.028 1.00 0.00 O ATOM 63 CB ARG A 17 -10.003 1.470 4.307 1.00 0.00 C ATOM 64 CG ARG A 17 -9.948 1.362 5.823 1.00 0.00 C ATOM 65 CD ARG A 17 -11.182 1.971 6.469 1.00 0.00 C ATOM 66 NE ARG A 17 -11.620 1.208 7.635 1.00 0.00 N ATOM 67 CZ ARG A 17 -12.304 1.736 8.644 1.00 0.00 C ATOM 68 NH1 ARG A 17 -12.628 3.022 8.629 1.00 0.00 N ATOM 69 NH2 ARG A 17 -12.667 0.977 9.670 1.00 0.00 N ATOM 0 H ARG A 17 -8.785 2.768 1.671 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.537 3.034 4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.952 1.920 4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.981 0.468 3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.864 0.314 6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.056 1.867 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.967 2.997 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.990 2.014 5.739 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.388 0.216 7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.352 3.608 7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.153 3.425 9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.421 -0.013 9.684 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.192 1.383 10.444 1.00 0.00 H new ATOM 83 N VAL A 18 -7.855 0.525 2.390 1.00 0.00 N ATOM 84 CA VAL A 18 -6.802 -0.394 1.977 1.00 0.00 C ATOM 85 C VAL A 18 -5.928 0.234 0.896 1.00 0.00 C ATOM 86 O VAL A 18 -6.419 0.971 0.040 1.00 0.00 O ATOM 87 CB VAL A 18 -7.385 -1.717 1.445 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.276 -2.729 1.200 1.00 0.00 C ATOM 89 CG2 VAL A 18 -8.418 -2.271 2.414 1.00 0.00 C ATOM 0 H VAL A 18 -8.718 0.446 1.852 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.197 -0.604 2.859 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.881 -1.519 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.707 -3.657 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.576 -2.331 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.750 -2.925 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.820 -3.206 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.949 -2.454 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.227 -1.551 2.534 1.00 0.00 H new ATOM 99 N ILE A 19 -4.634 -0.055 0.944 1.00 0.00 N ATOM 100 CA ILE A 19 -3.697 0.490 -0.031 1.00 0.00 C ATOM 101 C ILE A 19 -3.026 -0.618 -0.837 1.00 0.00 C ATOM 102 O ILE A 19 -2.111 -1.284 -0.353 1.00 0.00 O ATOM 103 CB ILE A 19 -2.609 1.340 0.651 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.243 2.503 1.415 1.00 0.00 C ATOM 105 CG2 ILE A 19 -1.615 1.854 -0.380 1.00 0.00 C ATOM 106 CD1 ILE A 19 -3.786 3.593 0.517 1.00 0.00 C ATOM 0 H ILE A 19 -4.210 -0.662 1.645 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.278 1.122 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.072 0.713 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.052 2.120 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.500 2.933 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.852 2.453 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.143 1.010 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.137 2.468 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.220 4.385 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.977 4.003 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.552 3.177 -0.137 1.00 0.00 H new ATOM 118 N HIS A 20 -3.481 -0.802 -2.072 1.00 0.00 N ATOM 119 CA HIS A 20 -2.919 -1.823 -2.948 1.00 0.00 C ATOM 120 C HIS A 20 -1.606 -1.338 -3.553 1.00 0.00 C ATOM 121 O HIS A 20 -1.447 -0.153 -3.840 1.00 0.00 O ATOM 122 CB HIS A 20 -3.909 -2.175 -4.060 1.00 0.00 C ATOM 123 CG HIS A 20 -3.795 -3.589 -4.537 1.00 0.00 C ATOM 124 ND1 HIS A 20 -4.599 -4.119 -5.524 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.961 -4.588 -4.158 1.00 0.00 C ATOM 126 CE1 HIS A 20 -4.267 -5.381 -5.730 1.00 0.00 C ATOM 127 NE2 HIS A 20 -3.276 -5.690 -4.914 1.00 0.00 N ATOM 0 H HIS A 20 -4.237 -0.258 -2.488 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.725 -2.717 -2.355 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.923 -2.002 -3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.751 -1.502 -4.903 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.335 -3.615 -6.018 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.192 -4.528 -3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.728 -6.047 -6.445 1.00 0.00 H new ATOM 136 N ILE A 21 -0.665 -2.258 -3.740 1.00 0.00 N ATOM 137 CA ILE A 21 0.632 -1.909 -4.305 1.00 0.00 C ATOM 138 C ILE A 21 1.041 -2.882 -5.406 1.00 0.00 C ATOM 139 O ILE A 21 0.856 -4.093 -5.281 1.00 0.00 O ATOM 140 CB ILE A 21 1.727 -1.892 -3.222 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.198 -1.243 -1.942 1.00 0.00 C ATOM 142 CG2 ILE A 21 2.959 -1.155 -3.727 1.00 0.00 C ATOM 143 CD1 ILE A 21 2.169 -1.312 -0.783 1.00 0.00 C ATOM 0 H ILE A 21 -0.776 -3.245 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 21 0.529 -0.911 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 21 2.010 -2.920 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.961 -0.199 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.267 -1.731 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.724 -1.151 -2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.345 -1.657 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.692 -0.129 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.727 -0.833 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.388 -2.355 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.092 -0.798 -1.051 1.00 0.00 H new ATOM 155 N ARG A 22 1.605 -2.340 -6.482 1.00 0.00 N ATOM 156 CA ARG A 22 2.052 -3.152 -7.609 1.00 0.00 C ATOM 157 C ARG A 22 3.532 -2.911 -7.886 1.00 0.00 C ATOM 158 O ARG A 22 4.137 -2.002 -7.316 1.00 0.00 O ATOM 159 CB ARG A 22 1.224 -2.836 -8.856 1.00 0.00 C ATOM 160 CG ARG A 22 1.620 -1.536 -9.537 1.00 0.00 C ATOM 161 CD ARG A 22 0.839 -1.322 -10.824 1.00 0.00 C ATOM 162 NE ARG A 22 1.259 -2.241 -11.878 1.00 0.00 N ATOM 163 CZ ARG A 22 0.486 -2.591 -12.901 1.00 0.00 C ATOM 164 NH1 ARG A 22 -0.741 -2.099 -13.006 1.00 0.00 N ATOM 165 NH2 ARG A 22 0.940 -3.433 -13.820 1.00 0.00 N ATOM 0 H ARG A 22 1.763 -1.339 -6.597 1.00 0.00 H new ATOM 0 HA ARG A 22 1.912 -4.202 -7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.327 -3.655 -9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.171 -2.785 -8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.443 -0.700 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.688 -1.549 -9.756 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.225 -1.456 -10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.974 -0.295 -11.163 1.00 0.00 H new ATOM 0 HE ARG A 22 2.198 -2.636 -11.826 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.093 -1.451 -12.301 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.333 -2.369 -13.792 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.883 -3.813 -13.742 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.346 -3.701 -14.605 1.00 0.00 H new ATOM 179 N LYS A 23 4.116 -3.730 -8.756 1.00 0.00 N ATOM 180 CA LYS A 23 5.529 -3.595 -9.089 1.00 0.00 C ATOM 181 C LYS A 23 6.369 -3.571 -7.819 1.00 0.00 C ATOM 182 O LYS A 23 7.334 -2.814 -7.713 1.00 0.00 O ATOM 183 CB LYS A 23 5.770 -2.314 -9.890 1.00 0.00 C ATOM 184 CG LYS A 23 6.760 -2.485 -11.029 1.00 0.00 C ATOM 185 CD LYS A 23 6.369 -3.638 -11.939 1.00 0.00 C ATOM 186 CE LYS A 23 4.891 -3.595 -12.288 1.00 0.00 C ATOM 187 NZ LYS A 23 4.603 -4.283 -13.578 1.00 0.00 N ATOM 0 H LYS A 23 3.636 -4.489 -9.240 1.00 0.00 H new ATOM 0 HA LYS A 23 5.822 -4.452 -9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.820 -1.965 -10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.134 -1.538 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.811 -1.564 -11.609 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.756 -2.662 -10.623 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.961 -3.598 -12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.601 -4.584 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.316 -4.065 -11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.563 -2.557 -12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.088 -3.636 -14.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.497 -4.566 -14.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.023 -5.127 -13.399 1.00 0.00 H new ATOM 201 N LEU A 24 5.985 -4.395 -6.852 1.00 0.00 N ATOM 202 CA LEU A 24 6.691 -4.459 -5.579 1.00 0.00 C ATOM 203 C LEU A 24 7.134 -5.881 -5.258 1.00 0.00 C ATOM 204 O LEU A 24 6.306 -6.779 -5.117 1.00 0.00 O ATOM 205 CB LEU A 24 5.786 -3.932 -4.460 1.00 0.00 C ATOM 206 CG LEU A 24 6.020 -4.548 -3.076 1.00 0.00 C ATOM 207 CD1 LEU A 24 7.308 -4.019 -2.467 1.00 0.00 C ATOM 208 CD2 LEU A 24 4.839 -4.266 -2.161 1.00 0.00 C ATOM 0 H LEU A 24 5.189 -5.028 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 24 7.584 -3.838 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.921 -2.853 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.748 -4.105 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 24 6.115 -5.628 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.457 -4.468 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.148 -4.274 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.244 -2.936 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.022 -4.711 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.712 -3.189 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.935 -4.696 -2.591 1.00 0.00 H new ATOM 220 N PRO A 25 8.450 -6.100 -5.108 1.00 0.00 N ATOM 221 CA PRO A 25 8.989 -7.417 -4.772 1.00 0.00 C ATOM 222 C PRO A 25 8.445 -7.896 -3.433 1.00 0.00 C ATOM 223 O PRO A 25 9.106 -7.767 -2.403 1.00 0.00 O ATOM 224 CB PRO A 25 10.504 -7.189 -4.692 1.00 0.00 C ATOM 225 CG PRO A 25 10.668 -5.717 -4.515 1.00 0.00 C ATOM 226 CD PRO A 25 9.506 -5.083 -5.226 1.00 0.00 C ATOM 0 HA PRO A 25 8.717 -8.180 -5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.941 -7.737 -3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.003 -7.535 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.672 -5.449 -3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.615 -5.377 -4.934 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.213 -4.142 -4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.741 -4.864 -6.268 1.00 0.00 H new ATOM 234 N ILE A 26 7.221 -8.418 -3.458 1.00 0.00 N ATOM 235 CA ILE A 26 6.563 -8.891 -2.242 1.00 0.00 C ATOM 236 C ILE A 26 7.559 -9.443 -1.244 1.00 0.00 C ATOM 237 O ILE A 26 8.647 -9.891 -1.608 1.00 0.00 O ATOM 238 CB ILE A 26 5.503 -9.974 -2.508 1.00 0.00 C ATOM 239 CG1 ILE A 26 5.012 -9.934 -3.953 1.00 0.00 C ATOM 240 CG2 ILE A 26 4.344 -9.801 -1.545 1.00 0.00 C ATOM 241 CD1 ILE A 26 5.913 -10.682 -4.907 1.00 0.00 C ATOM 0 H ILE A 26 6.665 -8.524 -4.306 1.00 0.00 H new ATOM 0 HA ILE A 26 6.067 -8.010 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 26 5.962 -10.950 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.009 -10.359 -4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.934 -8.896 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.595 -10.569 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.705 -9.893 -0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.898 -8.816 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.509 -10.615 -5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.910 -10.243 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.971 -11.728 -4.608 1.00 0.00 H new ATOM 253 N ASP A 27 7.176 -9.404 0.023 1.00 0.00 N ATOM 254 CA ASP A 27 8.029 -9.892 1.084 1.00 0.00 C ATOM 255 C ASP A 27 9.094 -8.854 1.422 1.00 0.00 C ATOM 256 O ASP A 27 9.945 -9.083 2.281 1.00 0.00 O ATOM 257 CB ASP A 27 8.679 -11.211 0.670 1.00 0.00 C ATOM 258 CG ASP A 27 9.145 -12.025 1.861 1.00 0.00 C ATOM 259 OD1 ASP A 27 8.560 -11.869 2.953 1.00 0.00 O ATOM 260 OD2 ASP A 27 10.096 -12.820 1.702 1.00 0.00 O ATOM 0 H ASP A 27 6.277 -9.038 0.337 1.00 0.00 H new ATOM 0 HA ASP A 27 7.423 -10.068 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.967 -11.797 0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.529 -11.005 0.019 1.00 0.00 H new ATOM 265 N VAL A 28 9.030 -7.705 0.749 1.00 0.00 N ATOM 266 CA VAL A 28 9.975 -6.631 0.991 1.00 0.00 C ATOM 267 C VAL A 28 9.970 -6.275 2.473 1.00 0.00 C ATOM 268 O VAL A 28 9.453 -7.039 3.288 1.00 0.00 O ATOM 269 CB VAL A 28 9.646 -5.393 0.122 1.00 0.00 C ATOM 270 CG1 VAL A 28 8.566 -4.529 0.760 1.00 0.00 C ATOM 271 CG2 VAL A 28 10.901 -4.579 -0.165 1.00 0.00 C ATOM 0 H VAL A 28 8.332 -7.501 0.034 1.00 0.00 H new ATOM 0 HA VAL A 28 10.973 -6.968 0.710 1.00 0.00 H new ATOM 0 HB VAL A 28 9.253 -5.755 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.362 -3.670 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.655 -5.115 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.906 -4.183 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.642 -3.715 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.338 -4.240 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.622 -5.198 -0.698 1.00 0.00 H new ATOM 281 N THR A 29 10.542 -5.137 2.835 1.00 0.00 N ATOM 282 CA THR A 29 10.578 -4.747 4.235 1.00 0.00 C ATOM 283 C THR A 29 9.566 -3.655 4.546 1.00 0.00 C ATOM 284 O THR A 29 9.311 -2.773 3.727 1.00 0.00 O ATOM 285 CB THR A 29 11.979 -4.270 4.655 1.00 0.00 C ATOM 286 OG1 THR A 29 12.317 -3.065 3.957 1.00 0.00 O ATOM 287 CG2 THR A 29 13.024 -5.337 4.368 1.00 0.00 C ATOM 0 H THR A 29 10.980 -4.478 2.192 1.00 0.00 H new ATOM 0 HA THR A 29 10.319 -5.639 4.805 1.00 0.00 H new ATOM 0 HB THR A 29 11.965 -4.077 5.728 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.209 -2.767 4.231 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.006 -4.976 4.674 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.781 -6.243 4.924 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.035 -5.558 3.301 1.00 0.00 H new ATOM 295 N GLU A 30 8.996 -3.723 5.745 1.00 0.00 N ATOM 296 CA GLU A 30 8.015 -2.741 6.182 1.00 0.00 C ATOM 297 C GLU A 30 8.638 -1.354 6.237 1.00 0.00 C ATOM 298 O GLU A 30 8.064 -0.383 5.745 1.00 0.00 O ATOM 299 CB GLU A 30 7.458 -3.121 7.556 1.00 0.00 C ATOM 300 CG GLU A 30 6.108 -3.817 7.495 1.00 0.00 C ATOM 301 CD GLU A 30 6.116 -5.025 6.577 1.00 0.00 C ATOM 302 OE1 GLU A 30 6.707 -4.934 5.481 1.00 0.00 O ATOM 303 OE2 GLU A 30 5.531 -6.062 6.955 1.00 0.00 O ATOM 0 H GLU A 30 9.198 -4.450 6.431 1.00 0.00 H new ATOM 0 HA GLU A 30 7.197 -2.728 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.171 -3.773 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.366 -2.220 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.819 -4.130 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.354 -3.109 7.152 1.00 0.00 H new ATOM 310 N GLY A 31 9.824 -1.266 6.832 1.00 0.00 N ATOM 311 CA GLY A 31 10.501 0.009 6.929 1.00 0.00 C ATOM 312 C GLY A 31 10.338 0.825 5.665 1.00 0.00 C ATOM 313 O GLY A 31 10.329 2.055 5.705 1.00 0.00 O ATOM 0 H GLY A 31 10.324 -2.053 7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.105 0.568 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.561 -0.155 7.122 1.00 0.00 H new ATOM 317 N GLU A 32 10.195 0.133 4.539 1.00 0.00 N ATOM 318 CA GLU A 32 10.015 0.794 3.254 1.00 0.00 C ATOM 319 C GLU A 32 8.551 1.165 3.052 1.00 0.00 C ATOM 320 O GLU A 32 8.211 2.340 2.922 1.00 0.00 O ATOM 321 CB GLU A 32 10.491 -0.109 2.115 1.00 0.00 C ATOM 322 CG GLU A 32 11.305 0.625 1.064 1.00 0.00 C ATOM 323 CD GLU A 32 12.634 1.121 1.597 1.00 0.00 C ATOM 324 OE1 GLU A 32 13.410 0.294 2.122 1.00 0.00 O ATOM 325 OE2 GLU A 32 12.900 2.337 1.491 1.00 0.00 O ATOM 0 H GLU A 32 10.200 -0.886 4.492 1.00 0.00 H new ATOM 0 HA GLU A 32 10.613 1.705 3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.092 -0.918 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.625 -0.567 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.482 -0.039 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.729 1.471 0.690 1.00 0.00 H new ATOM 332 N VAL A 33 7.684 0.155 3.039 1.00 0.00 N ATOM 333 CA VAL A 33 6.256 0.388 2.866 1.00 0.00 C ATOM 334 C VAL A 33 5.740 1.364 3.919 1.00 0.00 C ATOM 335 O VAL A 33 5.209 2.425 3.589 1.00 0.00 O ATOM 336 CB VAL A 33 5.455 -0.924 2.960 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.037 -0.723 2.449 1.00 0.00 C ATOM 338 CG2 VAL A 33 6.155 -2.033 2.190 1.00 0.00 C ATOM 0 H VAL A 33 7.945 -0.825 3.146 1.00 0.00 H new ATOM 0 HA VAL A 33 6.117 0.813 1.872 1.00 0.00 H new ATOM 0 HB VAL A 33 5.399 -1.220 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.487 -1.661 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.539 0.038 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.068 -0.402 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.575 -2.952 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.244 -1.748 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.149 -2.195 2.608 1.00 0.00 H new ATOM 348 N ILE A 34 5.907 0.998 5.186 1.00 0.00 N ATOM 349 CA ILE A 34 5.469 1.831 6.290 1.00 0.00 C ATOM 350 C ILE A 34 6.029 3.246 6.179 1.00 0.00 C ATOM 351 O ILE A 34 5.283 4.223 6.231 1.00 0.00 O ATOM 352 CB ILE A 34 5.904 1.223 7.629 1.00 0.00 C ATOM 353 CG1 ILE A 34 5.711 -0.295 7.600 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.117 1.848 8.764 1.00 0.00 C ATOM 355 CD1 ILE A 34 5.490 -0.905 8.964 1.00 0.00 C ATOM 0 H ILE A 34 6.346 0.122 5.470 1.00 0.00 H new ATOM 0 HA ILE A 34 4.381 1.880 6.245 1.00 0.00 H new ATOM 0 HB ILE A 34 6.961 1.431 7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.859 -0.532 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.587 -0.755 7.144 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.433 1.410 9.711 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.298 2.923 8.783 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.053 1.662 8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.361 -1.983 8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.352 -0.700 9.598 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.597 -0.473 9.415 1.00 0.00 H new ATOM 367 N SER A 35 7.346 3.347 6.031 1.00 0.00 N ATOM 368 CA SER A 35 8.003 4.646 5.916 1.00 0.00 C ATOM 369 C SER A 35 7.173 5.601 5.069 1.00 0.00 C ATOM 370 O SER A 35 6.907 6.734 5.472 1.00 0.00 O ATOM 371 CB SER A 35 9.397 4.485 5.306 1.00 0.00 C ATOM 372 OG SER A 35 10.377 4.307 6.314 1.00 0.00 O ATOM 0 H SER A 35 7.979 2.548 5.988 1.00 0.00 H new ATOM 0 HA SER A 35 8.099 5.066 6.917 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.405 3.629 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.640 5.364 4.709 1.00 0.00 H new ATOM 0 HG SER A 35 10.838 3.453 6.175 1.00 0.00 H new ATOM 378 N LEU A 36 6.764 5.137 3.893 1.00 0.00 N ATOM 379 CA LEU A 36 5.961 5.950 2.988 1.00 0.00 C ATOM 380 C LEU A 36 4.638 6.336 3.639 1.00 0.00 C ATOM 381 O LEU A 36 4.097 7.411 3.383 1.00 0.00 O ATOM 382 CB LEU A 36 5.703 5.190 1.683 1.00 0.00 C ATOM 383 CG LEU A 36 6.908 5.062 0.742 1.00 0.00 C ATOM 384 CD1 LEU A 36 8.211 5.353 1.474 1.00 0.00 C ATOM 385 CD2 LEU A 36 6.946 3.674 0.119 1.00 0.00 C ATOM 0 H LEU A 36 6.976 4.202 3.545 1.00 0.00 H new ATOM 0 HA LEU A 36 6.514 6.862 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.350 4.189 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.897 5.689 1.146 1.00 0.00 H new ATOM 0 HG LEU A 36 6.797 5.801 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.047 5.254 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.186 6.368 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.334 4.645 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.806 3.597 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.028 2.924 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.031 3.505 -0.449 1.00 0.00 H new ATOM 397 N GLY A 37 4.123 5.450 4.485 1.00 0.00 N ATOM 398 CA GLY A 37 2.868 5.712 5.163 1.00 0.00 C ATOM 399 C GLY A 37 3.043 6.566 6.404 1.00 0.00 C ATOM 400 O GLY A 37 2.118 7.261 6.822 1.00 0.00 O ATOM 0 H GLY A 37 4.554 4.554 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.185 6.212 4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.404 4.765 5.440 1.00 0.00 H new ATOM 404 N LEU A 38 4.232 6.514 6.996 1.00 0.00 N ATOM 405 CA LEU A 38 4.520 7.291 8.197 1.00 0.00 C ATOM 406 C LEU A 38 3.886 8.674 8.109 1.00 0.00 C ATOM 407 O LEU A 38 3.040 9.034 8.927 1.00 0.00 O ATOM 408 CB LEU A 38 6.031 7.418 8.404 1.00 0.00 C ATOM 409 CG LEU A 38 6.564 6.768 9.682 1.00 0.00 C ATOM 410 CD1 LEU A 38 5.775 7.244 10.892 1.00 0.00 C ATOM 411 CD2 LEU A 38 6.509 5.252 9.572 1.00 0.00 C ATOM 0 H LEU A 38 5.010 5.944 6.665 1.00 0.00 H new ATOM 0 HA LEU A 38 4.092 6.766 9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.539 6.973 7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.294 8.476 8.415 1.00 0.00 H new ATOM 0 HG LEU A 38 7.604 7.066 9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.168 6.771 11.792 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.865 8.327 10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.725 6.976 10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.892 4.806 10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.477 4.936 9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.118 4.926 8.729 1.00 0.00 H new ATOM 423 N PRO A 39 4.281 9.466 7.100 1.00 0.00 N ATOM 424 CA PRO A 39 3.742 10.813 6.898 1.00 0.00 C ATOM 425 C PRO A 39 2.274 10.776 6.492 1.00 0.00 C ATOM 426 O PRO A 39 1.539 11.746 6.678 1.00 0.00 O ATOM 427 CB PRO A 39 4.601 11.376 5.763 1.00 0.00 C ATOM 428 CG PRO A 39 5.104 10.176 5.036 1.00 0.00 C ATOM 429 CD PRO A 39 5.275 9.104 6.076 1.00 0.00 C ATOM 0 HA PRO A 39 3.778 11.414 7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.016 12.020 5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.423 11.978 6.150 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.400 9.863 4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.049 10.390 4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.087 8.112 5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.286 9.095 6.482 1.00 0.00 H new ATOM 437 N PHE A 40 1.857 9.643 5.937 1.00 0.00 N ATOM 438 CA PHE A 40 0.478 9.460 5.501 1.00 0.00 C ATOM 439 C PHE A 40 -0.443 9.212 6.689 1.00 0.00 C ATOM 440 O PHE A 40 -1.662 9.151 6.539 1.00 0.00 O ATOM 441 CB PHE A 40 0.395 8.290 4.520 1.00 0.00 C ATOM 442 CG PHE A 40 1.268 8.472 3.313 1.00 0.00 C ATOM 443 CD1 PHE A 40 1.725 9.730 2.963 1.00 0.00 C ATOM 444 CD2 PHE A 40 1.632 7.387 2.532 1.00 0.00 C ATOM 445 CE1 PHE A 40 2.531 9.907 1.856 1.00 0.00 C ATOM 446 CE2 PHE A 40 2.439 7.557 1.423 1.00 0.00 C ATOM 447 CZ PHE A 40 2.889 8.819 1.084 1.00 0.00 C ATOM 0 H PHE A 40 2.458 8.834 5.778 1.00 0.00 H new ATOM 0 HA PHE A 40 0.151 10.373 5.003 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.681 7.372 5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.639 8.166 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.448 10.584 3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.282 6.399 2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.881 10.895 1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.718 6.704 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.519 8.954 0.217 1.00 0.00 H new ATOM 457 N GLY A 41 0.146 9.069 7.872 1.00 0.00 N ATOM 458 CA GLY A 41 -0.639 8.829 9.065 1.00 0.00 C ATOM 459 C GLY A 41 -0.038 7.751 9.942 1.00 0.00 C ATOM 460 O GLY A 41 0.941 7.990 10.649 1.00 0.00 O ATOM 0 H GLY A 41 1.154 9.115 8.024 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.721 9.754 9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.650 8.540 8.779 1.00 0.00 H new ATOM 464 N LYS A 42 -0.622 6.559 9.896 1.00 0.00 N ATOM 465 CA LYS A 42 -0.133 5.444 10.693 1.00 0.00 C ATOM 466 C LYS A 42 -0.412 4.113 10.006 1.00 0.00 C ATOM 467 O LYS A 42 -1.493 3.900 9.458 1.00 0.00 O ATOM 468 CB LYS A 42 -0.780 5.457 12.080 1.00 0.00 C ATOM 469 CG LYS A 42 0.042 6.186 13.130 1.00 0.00 C ATOM 470 CD LYS A 42 0.666 5.216 14.121 1.00 0.00 C ATOM 471 CE LYS A 42 -0.303 4.864 15.238 1.00 0.00 C ATOM 472 NZ LYS A 42 -0.035 5.648 16.475 1.00 0.00 N ATOM 0 H LYS A 42 -1.433 6.342 9.316 1.00 0.00 H new ATOM 0 HA LYS A 42 0.946 5.557 10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.761 5.926 12.009 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.941 4.429 12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.827 6.765 12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.592 6.895 13.663 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.970 4.307 13.601 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.568 5.657 14.545 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.324 5.050 14.905 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.229 3.799 15.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.717 5.378 17.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.930 5.451 16.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.130 6.663 16.270 1.00 0.00 H new ATOM 486 N VAL A 43 0.566 3.213 10.049 1.00 0.00 N ATOM 487 CA VAL A 43 0.418 1.898 9.441 1.00 0.00 C ATOM 488 C VAL A 43 -0.099 0.897 10.465 1.00 0.00 C ATOM 489 O VAL A 43 0.675 0.255 11.174 1.00 0.00 O ATOM 490 CB VAL A 43 1.746 1.390 8.851 1.00 0.00 C ATOM 491 CG1 VAL A 43 1.648 -0.088 8.502 1.00 0.00 C ATOM 492 CG2 VAL A 43 2.130 2.208 7.627 1.00 0.00 C ATOM 0 H VAL A 43 1.468 3.372 10.498 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.301 1.995 8.628 1.00 0.00 H new ATOM 0 HB VAL A 43 2.526 1.510 9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.597 -0.427 8.087 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.420 -0.660 9.402 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.856 -0.237 7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.071 1.836 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.349 2.120 6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.245 3.254 7.910 1.00 0.00 H new ATOM 502 N THR A 44 -1.417 0.791 10.543 1.00 0.00 N ATOM 503 CA THR A 44 -2.067 -0.107 11.486 1.00 0.00 C ATOM 504 C THR A 44 -1.964 -1.565 11.046 1.00 0.00 C ATOM 505 O THR A 44 -2.485 -2.459 11.714 1.00 0.00 O ATOM 506 CB THR A 44 -3.548 0.276 11.657 1.00 0.00 C ATOM 507 OG1 THR A 44 -3.900 1.265 10.692 1.00 0.00 O ATOM 508 CG2 THR A 44 -3.818 0.803 13.057 1.00 0.00 C ATOM 0 H THR A 44 -2.063 1.321 9.958 1.00 0.00 H new ATOM 0 HA THR A 44 -1.549 -0.004 12.440 1.00 0.00 H new ATOM 0 HB THR A 44 -4.155 -0.617 11.507 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.802 0.892 9.791 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.872 1.066 13.150 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.570 0.035 13.789 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.206 1.687 13.237 1.00 0.00 H new ATOM 516 N ASN A 45 -1.286 -1.804 9.927 1.00 0.00 N ATOM 517 CA ASN A 45 -1.117 -3.162 9.417 1.00 0.00 C ATOM 518 C ASN A 45 -0.508 -3.161 8.017 1.00 0.00 C ATOM 519 O ASN A 45 -0.583 -2.167 7.295 1.00 0.00 O ATOM 520 CB ASN A 45 -2.462 -3.892 9.398 1.00 0.00 C ATOM 521 CG ASN A 45 -2.516 -5.028 10.401 1.00 0.00 C ATOM 522 OD1 ASN A 45 -2.481 -4.805 11.612 1.00 0.00 O ATOM 523 ND2 ASN A 45 -2.599 -6.256 9.902 1.00 0.00 N ATOM 0 H ASN A 45 -0.847 -1.080 9.359 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.432 -3.684 10.085 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.261 -3.182 9.613 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.645 -4.285 8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.636 -7.060 10.529 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.625 -6.395 8.892 1.00 0.00 H new ATOM 530 N LEU A 46 0.091 -4.289 7.641 1.00 0.00 N ATOM 531 CA LEU A 46 0.711 -4.433 6.328 1.00 0.00 C ATOM 532 C LEU A 46 0.706 -5.894 5.890 1.00 0.00 C ATOM 533 O LEU A 46 1.518 -6.695 6.353 1.00 0.00 O ATOM 534 CB LEU A 46 2.147 -3.899 6.350 1.00 0.00 C ATOM 535 CG LEU A 46 3.014 -4.288 5.148 1.00 0.00 C ATOM 536 CD1 LEU A 46 2.156 -4.531 3.915 1.00 0.00 C ATOM 537 CD2 LEU A 46 4.050 -3.209 4.870 1.00 0.00 C ATOM 0 H LEU A 46 0.160 -5.119 8.230 1.00 0.00 H new ATOM 0 HA LEU A 46 0.130 -3.850 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.111 -2.811 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.634 -4.255 7.258 1.00 0.00 H new ATOM 0 HG LEU A 46 3.532 -5.216 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.795 -4.806 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.452 -5.339 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.606 -3.623 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.658 -3.500 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.546 -2.267 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.690 -3.085 5.744 1.00 0.00 H new ATOM 549 N LEU A 47 -0.219 -6.236 4.998 1.00 0.00 N ATOM 550 CA LEU A 47 -0.333 -7.602 4.502 1.00 0.00 C ATOM 551 C LEU A 47 0.417 -7.773 3.184 1.00 0.00 C ATOM 552 O LEU A 47 -0.050 -7.335 2.132 1.00 0.00 O ATOM 553 CB LEU A 47 -1.804 -7.976 4.315 1.00 0.00 C ATOM 554 CG LEU A 47 -2.089 -9.477 4.243 1.00 0.00 C ATOM 555 CD1 LEU A 47 -3.355 -9.742 3.445 1.00 0.00 C ATOM 556 CD2 LEU A 47 -0.908 -10.214 3.633 1.00 0.00 C ATOM 0 H LEU A 47 -0.900 -5.586 4.605 1.00 0.00 H new ATOM 0 HA LEU A 47 0.116 -8.266 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.378 -7.552 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.168 -7.509 3.400 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.239 -9.848 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.542 -10.815 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.198 -9.245 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.234 -9.356 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.128 -11.281 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.726 -9.839 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.022 -10.051 4.246 1.00 0.00 H new ATOM 568 N MET A 48 1.578 -8.416 3.247 1.00 0.00 N ATOM 569 CA MET A 48 2.389 -8.648 2.057 1.00 0.00 C ATOM 570 C MET A 48 1.826 -9.810 1.243 1.00 0.00 C ATOM 571 O MET A 48 1.925 -10.969 1.645 1.00 0.00 O ATOM 572 CB MET A 48 3.840 -8.938 2.448 1.00 0.00 C ATOM 573 CG MET A 48 4.451 -7.877 3.350 1.00 0.00 C ATOM 574 SD MET A 48 5.018 -6.430 2.436 1.00 0.00 S ATOM 575 CE MET A 48 6.669 -6.944 1.971 1.00 0.00 C ATOM 0 H MET A 48 1.979 -8.786 4.109 1.00 0.00 H new ATOM 0 HA MET A 48 2.363 -7.747 1.445 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.885 -9.903 2.953 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.441 -9.024 1.543 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.714 -7.568 4.091 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.290 -8.309 3.896 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.393 -6.212 2.329 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.886 -7.916 2.415 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.735 -7.018 0.885 1.00 0.00 H new ATOM 585 N LEU A 49 1.230 -9.487 0.101 1.00 0.00 N ATOM 586 CA LEU A 49 0.644 -10.500 -0.769 1.00 0.00 C ATOM 587 C LEU A 49 1.678 -11.028 -1.763 1.00 0.00 C ATOM 588 O LEU A 49 1.986 -10.379 -2.763 1.00 0.00 O ATOM 589 CB LEU A 49 -0.565 -9.917 -1.507 1.00 0.00 C ATOM 590 CG LEU A 49 -1.071 -10.737 -2.693 1.00 0.00 C ATOM 591 CD1 LEU A 49 -0.286 -10.391 -3.947 1.00 0.00 C ATOM 592 CD2 LEU A 49 -0.983 -12.227 -2.392 1.00 0.00 C ATOM 0 H LEU A 49 1.140 -8.531 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 49 0.312 -11.337 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.381 -9.800 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.306 -8.920 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.118 -10.489 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.657 -10.983 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.406 -9.331 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.770 -10.611 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.348 -12.793 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.054 -12.497 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.592 -12.458 -1.518 1.00 0.00 H new ATOM 604 N LYS A 50 2.215 -12.210 -1.472 1.00 0.00 N ATOM 605 CA LYS A 50 3.221 -12.832 -2.329 1.00 0.00 C ATOM 606 C LYS A 50 2.589 -13.390 -3.601 1.00 0.00 C ATOM 607 O LYS A 50 1.431 -13.106 -3.907 1.00 0.00 O ATOM 608 CB LYS A 50 3.943 -13.947 -1.568 1.00 0.00 C ATOM 609 CG LYS A 50 5.296 -13.530 -1.011 1.00 0.00 C ATOM 610 CD LYS A 50 5.172 -12.333 -0.082 1.00 0.00 C ATOM 611 CE LYS A 50 5.855 -12.588 1.253 1.00 0.00 C ATOM 612 NZ LYS A 50 4.985 -13.357 2.185 1.00 0.00 N ATOM 0 H LYS A 50 1.970 -12.758 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 50 3.943 -12.068 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.310 -14.283 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.081 -14.799 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.742 -14.366 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.969 -13.286 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.614 -11.456 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.118 -12.108 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.783 -13.136 1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.124 -11.636 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.487 -13.510 3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.111 -12.823 2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.748 -14.276 1.760 1.00 0.00 H new ATOM 626 N GLY A 51 3.357 -14.183 -4.340 1.00 0.00 N ATOM 627 CA GLY A 51 2.855 -14.765 -5.571 1.00 0.00 C ATOM 628 C GLY A 51 3.231 -13.949 -6.792 1.00 0.00 C ATOM 629 O GLY A 51 4.357 -14.032 -7.280 1.00 0.00 O ATOM 0 H GLY A 51 4.318 -14.433 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.248 -15.776 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.770 -14.849 -5.514 1.00 0.00 H new ATOM 633 N LYS A 52 2.284 -13.157 -7.286 1.00 0.00 N ATOM 634 CA LYS A 52 2.523 -12.320 -8.456 1.00 0.00 C ATOM 635 C LYS A 52 3.403 -11.127 -8.096 1.00 0.00 C ATOM 636 O LYS A 52 4.561 -11.052 -8.506 1.00 0.00 O ATOM 637 CB LYS A 52 1.195 -11.832 -9.038 1.00 0.00 C ATOM 638 CG LYS A 52 0.414 -12.915 -9.765 1.00 0.00 C ATOM 639 CD LYS A 52 0.201 -12.564 -11.227 1.00 0.00 C ATOM 640 CE LYS A 52 -1.245 -12.186 -11.504 1.00 0.00 C ATOM 641 NZ LYS A 52 -1.661 -10.980 -10.736 1.00 0.00 N ATOM 0 H LYS A 52 1.345 -13.078 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 52 3.041 -12.920 -9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.580 -11.431 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.390 -11.011 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.949 -13.862 -9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.552 -13.056 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.854 -11.736 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.482 -13.412 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.374 -11.999 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.895 -13.022 -11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.648 -10.745 -10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.579 -11.172 -9.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.047 -10.179 -10.988 1.00 0.00 H new ATOM 655 N ASN A 53 2.845 -10.199 -7.326 1.00 0.00 N ATOM 656 CA ASN A 53 3.578 -9.012 -6.906 1.00 0.00 C ATOM 657 C ASN A 53 2.624 -7.908 -6.474 1.00 0.00 C ATOM 658 O ASN A 53 2.378 -6.959 -7.220 1.00 0.00 O ATOM 659 CB ASN A 53 4.473 -8.504 -8.035 1.00 0.00 C ATOM 660 CG ASN A 53 5.926 -8.876 -7.827 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.602 -9.330 -8.750 1.00 0.00 O ATOM 662 ND2 ASN A 53 6.416 -8.684 -6.608 1.00 0.00 N ATOM 0 H ASN A 53 1.887 -10.247 -6.980 1.00 0.00 H new ATOM 0 HA ASN A 53 4.200 -9.290 -6.056 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.127 -8.915 -8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.384 -7.420 -8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.389 -8.915 -6.407 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.820 -8.305 -5.872 1.00 0.00 H new ATOM 669 N GLN A 54 2.090 -8.034 -5.265 1.00 0.00 N ATOM 670 CA GLN A 54 1.165 -7.041 -4.739 1.00 0.00 C ATOM 671 C GLN A 54 1.094 -7.117 -3.220 1.00 0.00 C ATOM 672 O GLN A 54 1.481 -8.117 -2.619 1.00 0.00 O ATOM 673 CB GLN A 54 -0.229 -7.242 -5.339 1.00 0.00 C ATOM 674 CG GLN A 54 -0.445 -6.489 -6.642 1.00 0.00 C ATOM 675 CD GLN A 54 -0.888 -7.398 -7.772 1.00 0.00 C ATOM 676 OE1 GLN A 54 -1.912 -8.073 -7.676 1.00 0.00 O ATOM 677 NE2 GLN A 54 -0.115 -7.417 -8.852 1.00 0.00 N ATOM 0 H GLN A 54 2.282 -8.812 -4.633 1.00 0.00 H new ATOM 0 HA GLN A 54 1.533 -6.054 -5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.391 -8.306 -5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.977 -6.920 -4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.195 -5.713 -6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.480 -5.987 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.726 -6.840 -8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.362 -8.008 -9.646 1.00 0.00 H new ATOM 686 N ALA A 55 0.595 -6.053 -2.607 1.00 0.00 N ATOM 687 CA ALA A 55 0.470 -6.002 -1.159 1.00 0.00 C ATOM 688 C ALA A 55 -0.688 -5.102 -0.750 1.00 0.00 C ATOM 689 O ALA A 55 -1.187 -4.315 -1.554 1.00 0.00 O ATOM 690 CB ALA A 55 1.769 -5.517 -0.532 1.00 0.00 C ATOM 0 H ALA A 55 0.271 -5.215 -3.090 1.00 0.00 H new ATOM 0 HA ALA A 55 0.264 -7.009 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.660 -5.484 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.577 -6.200 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.002 -4.519 -0.904 1.00 0.00 H new ATOM 696 N PHE A 56 -1.117 -5.223 0.501 1.00 0.00 N ATOM 697 CA PHE A 56 -2.220 -4.417 1.004 1.00 0.00 C ATOM 698 C PHE A 56 -1.991 -4.012 2.455 1.00 0.00 C ATOM 699 O PHE A 56 -1.951 -4.858 3.348 1.00 0.00 O ATOM 700 CB PHE A 56 -3.536 -5.187 0.884 1.00 0.00 C ATOM 701 CG PHE A 56 -3.681 -5.934 -0.411 1.00 0.00 C ATOM 702 CD1 PHE A 56 -2.802 -6.954 -0.742 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.699 -5.617 -1.297 1.00 0.00 C ATOM 704 CE1 PHE A 56 -2.937 -7.643 -1.933 1.00 0.00 C ATOM 705 CE2 PHE A 56 -4.837 -6.302 -2.489 1.00 0.00 C ATOM 706 CZ PHE A 56 -3.955 -7.316 -2.807 1.00 0.00 C ATOM 0 H PHE A 56 -0.719 -5.869 1.182 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.274 -3.512 0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.611 -5.893 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.366 -4.488 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.004 -7.213 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.392 -4.826 -1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.247 -8.436 -2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.634 -6.045 -3.171 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.061 -7.853 -3.738 1.00 0.00 H new ATOM 716 N ILE A 57 -1.853 -2.710 2.685 1.00 0.00 N ATOM 717 CA ILE A 57 -1.643 -2.193 4.030 1.00 0.00 C ATOM 718 C ILE A 57 -2.915 -1.541 4.557 1.00 0.00 C ATOM 719 O ILE A 57 -3.556 -0.755 3.858 1.00 0.00 O ATOM 720 CB ILE A 57 -0.490 -1.171 4.080 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.809 0.045 3.209 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.811 -1.819 3.636 1.00 0.00 C ATOM 723 CD1 ILE A 57 0.066 1.245 3.506 1.00 0.00 C ATOM 0 H ILE A 57 -1.883 -1.996 1.958 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.376 -3.042 4.659 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.374 -0.832 5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.694 -0.229 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.853 0.322 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.616 -1.085 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.047 -2.653 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.705 -2.185 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.215 2.071 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.067 1.544 4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.111 0.985 3.334 1.00 0.00 H new ATOM 735 N GLU A 58 -3.280 -1.874 5.787 1.00 0.00 N ATOM 736 CA GLU A 58 -4.480 -1.321 6.398 1.00 0.00 C ATOM 737 C GLU A 58 -4.148 -0.082 7.220 1.00 0.00 C ATOM 738 O GLU A 58 -3.640 -0.183 8.336 1.00 0.00 O ATOM 739 CB GLU A 58 -5.158 -2.368 7.282 1.00 0.00 C ATOM 740 CG GLU A 58 -6.437 -2.933 6.684 1.00 0.00 C ATOM 741 CD GLU A 58 -7.683 -2.337 7.308 1.00 0.00 C ATOM 742 OE1 GLU A 58 -7.551 -1.387 8.108 1.00 0.00 O ATOM 743 OE2 GLU A 58 -8.792 -2.821 6.996 1.00 0.00 O ATOM 0 H GLU A 58 -2.763 -2.523 6.380 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.165 -1.034 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.460 -3.185 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.386 -1.922 8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.446 -2.744 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.450 -4.015 6.818 1.00 0.00 H new ATOM 750 N MET A 59 -4.442 1.088 6.662 1.00 0.00 N ATOM 751 CA MET A 59 -4.177 2.343 7.349 1.00 0.00 C ATOM 752 C MET A 59 -5.025 2.450 8.610 1.00 0.00 C ATOM 753 O MET A 59 -6.061 1.794 8.731 1.00 0.00 O ATOM 754 CB MET A 59 -4.447 3.528 6.419 1.00 0.00 C ATOM 755 CG MET A 59 -3.399 3.687 5.328 1.00 0.00 C ATOM 756 SD MET A 59 -2.649 5.326 5.316 1.00 0.00 S ATOM 757 CE MET A 59 -1.054 4.984 6.053 1.00 0.00 C ATOM 0 H MET A 59 -4.863 1.191 5.739 1.00 0.00 H new ATOM 0 HA MET A 59 -3.126 2.364 7.638 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.426 3.403 5.957 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.488 4.443 7.010 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.620 2.937 5.466 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.858 3.495 4.358 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.593 5.919 6.373 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.184 4.330 6.915 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.412 4.495 5.320 1.00 0.00 H new ATOM 767 N ASN A 60 -4.576 3.269 9.553 1.00 0.00 N ATOM 768 CA ASN A 60 -5.290 3.448 10.812 1.00 0.00 C ATOM 769 C ASN A 60 -6.609 4.178 10.583 1.00 0.00 C ATOM 770 O ASN A 60 -7.625 3.855 11.199 1.00 0.00 O ATOM 771 CB ASN A 60 -4.437 4.236 11.808 1.00 0.00 C ATOM 772 CG ASN A 60 -3.284 3.444 12.389 1.00 0.00 C ATOM 773 OD1 ASN A 60 -3.212 3.240 13.601 1.00 0.00 O ATOM 774 ND2 ASN A 60 -2.369 3.003 11.537 1.00 0.00 N ATOM 0 H ASN A 60 -3.721 3.820 9.470 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.497 2.460 11.223 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.042 5.123 11.312 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.074 4.583 12.622 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.568 2.473 11.879 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.467 3.194 10.540 1.00 0.00 H new ATOM 781 N THR A 61 -6.583 5.168 9.696 1.00 0.00 N ATOM 782 CA THR A 61 -7.774 5.949 9.389 1.00 0.00 C ATOM 783 C THR A 61 -7.957 6.105 7.884 1.00 0.00 C ATOM 784 O THR A 61 -7.068 5.772 7.102 1.00 0.00 O ATOM 785 CB THR A 61 -7.704 7.346 10.032 1.00 0.00 C ATOM 786 OG1 THR A 61 -8.388 8.300 9.211 1.00 0.00 O ATOM 787 CG2 THR A 61 -6.259 7.779 10.224 1.00 0.00 C ATOM 0 H THR A 61 -5.750 5.447 9.178 1.00 0.00 H new ATOM 0 HA THR A 61 -8.625 5.406 9.800 1.00 0.00 H new ATOM 0 HB THR A 61 -8.186 7.297 11.008 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.340 9.185 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.233 8.769 10.680 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.749 7.067 10.873 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.757 7.812 9.257 1.00 0.00 H new ATOM 795 N GLU A 62 -9.118 6.617 7.484 1.00 0.00 N ATOM 796 CA GLU A 62 -9.416 6.820 6.073 1.00 0.00 C ATOM 797 C GLU A 62 -8.629 8.001 5.519 1.00 0.00 C ATOM 798 O GLU A 62 -8.186 7.983 4.370 1.00 0.00 O ATOM 799 CB GLU A 62 -10.915 7.050 5.874 1.00 0.00 C ATOM 800 CG GLU A 62 -11.783 5.955 6.471 1.00 0.00 C ATOM 801 CD GLU A 62 -12.730 6.478 7.534 1.00 0.00 C ATOM 802 OE1 GLU A 62 -12.340 7.406 8.272 1.00 0.00 O ATOM 803 OE2 GLU A 62 -13.862 5.958 7.627 1.00 0.00 O ATOM 0 H GLU A 62 -9.866 6.898 8.118 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.120 5.922 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.190 8.005 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.124 7.126 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.360 5.480 5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.144 5.186 6.905 1.00 0.00 H new ATOM 810 N GLU A 63 -8.455 9.028 6.345 1.00 0.00 N ATOM 811 CA GLU A 63 -7.717 10.217 5.939 1.00 0.00 C ATOM 812 C GLU A 63 -6.280 9.863 5.581 1.00 0.00 C ATOM 813 O GLU A 63 -5.722 10.386 4.615 1.00 0.00 O ATOM 814 CB GLU A 63 -7.733 11.260 7.059 1.00 0.00 C ATOM 815 CG GLU A 63 -7.734 12.693 6.554 1.00 0.00 C ATOM 816 CD GLU A 63 -6.339 13.201 6.243 1.00 0.00 C ATOM 817 OE1 GLU A 63 -5.361 12.549 6.665 1.00 0.00 O ATOM 818 OE2 GLU A 63 -6.224 14.251 5.575 1.00 0.00 O ATOM 0 H GLU A 63 -8.815 9.060 7.299 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.203 10.635 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.615 11.101 7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.863 11.109 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.349 12.758 5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.193 13.338 7.303 1.00 0.00 H new ATOM 825 N ALA A 64 -5.684 8.969 6.362 1.00 0.00 N ATOM 826 CA ALA A 64 -4.311 8.542 6.126 1.00 0.00 C ATOM 827 C ALA A 64 -4.190 7.811 4.793 1.00 0.00 C ATOM 828 O ALA A 64 -3.308 8.109 3.987 1.00 0.00 O ATOM 829 CB ALA A 64 -3.827 7.657 7.267 1.00 0.00 C ATOM 0 H ALA A 64 -6.131 8.526 7.165 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.680 9.430 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.800 7.346 7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.869 8.214 8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.465 6.776 7.340 1.00 0.00 H new ATOM 835 N ALA A 65 -5.081 6.849 4.569 1.00 0.00 N ATOM 836 CA ALA A 65 -5.075 6.071 3.335 1.00 0.00 C ATOM 837 C ALA A 65 -5.030 6.979 2.110 1.00 0.00 C ATOM 838 O ALA A 65 -4.171 6.824 1.241 1.00 0.00 O ATOM 839 CB ALA A 65 -6.296 5.166 3.278 1.00 0.00 C ATOM 0 H ALA A 65 -5.816 6.590 5.227 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.176 5.454 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.280 4.591 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.284 4.485 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.201 5.773 3.312 1.00 0.00 H new ATOM 845 N ASN A 66 -5.963 7.923 2.047 1.00 0.00 N ATOM 846 CA ASN A 66 -6.034 8.856 0.928 1.00 0.00 C ATOM 847 C ASN A 66 -4.657 9.427 0.600 1.00 0.00 C ATOM 848 O ASN A 66 -4.126 9.208 -0.488 1.00 0.00 O ATOM 849 CB ASN A 66 -7.006 9.994 1.246 1.00 0.00 C ATOM 850 CG ASN A 66 -8.247 9.956 0.375 1.00 0.00 C ATOM 851 OD1 ASN A 66 -8.420 10.787 -0.516 1.00 0.00 O ATOM 852 ND2 ASN A 66 -9.119 8.989 0.632 1.00 0.00 N ATOM 0 H ASN A 66 -6.681 8.062 2.758 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.395 8.308 0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.299 9.935 2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.499 10.949 1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.974 8.913 0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.934 8.322 1.381 1.00 0.00 H new ATOM 859 N THR A 67 -4.087 10.162 1.548 1.00 0.00 N ATOM 860 CA THR A 67 -2.774 10.769 1.360 1.00 0.00 C ATOM 861 C THR A 67 -1.818 9.814 0.652 1.00 0.00 C ATOM 862 O THR A 67 -1.123 10.200 -0.288 1.00 0.00 O ATOM 863 CB THR A 67 -2.151 11.192 2.704 1.00 0.00 C ATOM 864 OG1 THR A 67 -2.888 12.285 3.263 1.00 0.00 O ATOM 865 CG2 THR A 67 -0.696 11.596 2.521 1.00 0.00 C ATOM 0 H THR A 67 -4.513 10.352 2.455 1.00 0.00 H new ATOM 0 HA THR A 67 -2.925 11.653 0.741 1.00 0.00 H new ATOM 0 HB THR A 67 -2.193 10.341 3.384 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.487 12.547 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.277 11.891 3.483 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.132 10.753 2.122 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.636 12.434 1.827 1.00 0.00 H new ATOM 873 N MET A 68 -1.784 8.568 1.113 1.00 0.00 N ATOM 874 CA MET A 68 -0.908 7.560 0.526 1.00 0.00 C ATOM 875 C MET A 68 -0.996 7.575 -0.996 1.00 0.00 C ATOM 876 O MET A 68 -0.020 7.887 -1.680 1.00 0.00 O ATOM 877 CB MET A 68 -1.268 6.170 1.054 1.00 0.00 C ATOM 878 CG MET A 68 -0.231 5.109 0.727 1.00 0.00 C ATOM 879 SD MET A 68 0.271 4.158 2.173 1.00 0.00 S ATOM 880 CE MET A 68 1.904 3.618 1.675 1.00 0.00 C ATOM 0 H MET A 68 -2.352 8.232 1.891 1.00 0.00 H new ATOM 0 HA MET A 68 0.116 7.798 0.813 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.394 6.222 2.135 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.228 5.869 0.636 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.635 4.432 -0.026 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.646 5.586 0.289 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.346 3.016 2.469 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.828 3.021 0.766 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.533 4.488 1.486 1.00 0.00 H new ATOM 890 N VAL A 69 -2.167 7.235 -1.522 1.00 0.00 N ATOM 891 CA VAL A 69 -2.377 7.208 -2.965 1.00 0.00 C ATOM 892 C VAL A 69 -2.397 8.618 -3.547 1.00 0.00 C ATOM 893 O VAL A 69 -1.652 8.927 -4.476 1.00 0.00 O ATOM 894 CB VAL A 69 -3.693 6.496 -3.327 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.852 6.402 -4.837 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.746 5.116 -2.691 1.00 0.00 C ATOM 0 H VAL A 69 -2.985 6.974 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.542 6.654 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.523 7.084 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.788 5.896 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.864 7.404 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.019 5.838 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.683 4.628 -2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.910 4.517 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.683 5.212 -1.607 1.00 0.00 H new ATOM 906 N ASN A 70 -3.257 9.468 -2.995 1.00 0.00 N ATOM 907 CA ASN A 70 -3.376 10.845 -3.461 1.00 0.00 C ATOM 908 C ASN A 70 -2.010 11.425 -3.811 1.00 0.00 C ATOM 909 O ASN A 70 -1.743 11.758 -4.966 1.00 0.00 O ATOM 910 CB ASN A 70 -4.052 11.709 -2.395 1.00 0.00 C ATOM 911 CG ASN A 70 -5.024 12.708 -2.991 1.00 0.00 C ATOM 912 OD1 ASN A 70 -4.927 13.061 -4.166 1.00 0.00 O ATOM 913 ND2 ASN A 70 -5.970 13.169 -2.180 1.00 0.00 N ATOM 0 H ASN A 70 -3.881 9.228 -2.225 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.989 10.844 -4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.582 11.066 -1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.290 12.242 -1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.653 13.843 -2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.013 12.849 -1.213 1.00 0.00 H new ATOM 920 N TYR A 71 -1.149 11.547 -2.808 1.00 0.00 N ATOM 921 CA TYR A 71 0.190 12.089 -3.010 1.00 0.00 C ATOM 922 C TYR A 71 0.971 11.255 -4.021 1.00 0.00 C ATOM 923 O TYR A 71 1.819 11.777 -4.747 1.00 0.00 O ATOM 924 CB TYR A 71 0.946 12.143 -1.681 1.00 0.00 C ATOM 925 CG TYR A 71 2.374 12.623 -1.814 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.732 13.536 -2.799 1.00 0.00 C ATOM 927 CD2 TYR A 71 3.363 12.164 -0.954 1.00 0.00 C ATOM 928 CE1 TYR A 71 4.036 13.976 -2.923 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.669 12.600 -1.071 1.00 0.00 C ATOM 930 CZ TYR A 71 5.000 13.506 -2.057 1.00 0.00 C ATOM 931 OH TYR A 71 6.299 13.942 -2.176 1.00 0.00 O ATOM 0 H TYR A 71 -1.354 11.278 -1.846 1.00 0.00 H new ATOM 0 HA TYR A 71 0.089 13.100 -3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.413 12.802 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.946 11.150 -1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.979 13.907 -3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 71 3.107 11.455 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.299 14.685 -3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.426 12.233 -0.394 1.00 0.00 H new ATOM 0 HH TYR A 71 6.852 13.515 -1.488 1.00 0.00 H new ATOM 941 N TYR A 72 0.683 9.959 -4.061 1.00 0.00 N ATOM 942 CA TYR A 72 1.361 9.054 -4.982 1.00 0.00 C ATOM 943 C TYR A 72 0.628 8.981 -6.317 1.00 0.00 C ATOM 944 O TYR A 72 0.807 8.035 -7.085 1.00 0.00 O ATOM 945 CB TYR A 72 1.474 7.657 -4.368 1.00 0.00 C ATOM 946 CG TYR A 72 2.507 7.557 -3.267 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.330 8.633 -2.955 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.659 6.383 -2.538 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.275 8.541 -1.951 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.602 6.285 -1.532 1.00 0.00 C ATOM 951 CZ TYR A 72 4.406 7.366 -1.243 1.00 0.00 C ATOM 952 OH TYR A 72 5.345 7.273 -0.242 1.00 0.00 O ATOM 0 H TYR A 72 -0.015 9.512 -3.467 1.00 0.00 H new ATOM 0 HA TYR A 72 2.362 9.445 -5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.502 7.365 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.723 6.944 -5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.229 9.556 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.030 5.534 -2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.908 9.386 -1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.708 5.366 -0.975 1.00 0.00 H new ATOM 0 HH TYR A 72 4.976 7.641 0.588 1.00 0.00 H new ATOM 962 N THR A 73 -0.194 9.988 -6.593 1.00 0.00 N ATOM 963 CA THR A 73 -0.948 10.039 -7.840 1.00 0.00 C ATOM 964 C THR A 73 -0.063 10.504 -8.990 1.00 0.00 C ATOM 965 O THR A 73 -0.348 10.232 -10.157 1.00 0.00 O ATOM 966 CB THR A 73 -2.163 10.978 -7.726 1.00 0.00 C ATOM 967 OG1 THR A 73 -2.960 10.613 -6.593 1.00 0.00 O ATOM 968 CG2 THR A 73 -3.012 10.920 -8.987 1.00 0.00 C ATOM 0 H THR A 73 -0.355 10.780 -5.970 1.00 0.00 H new ATOM 0 HA THR A 73 -1.303 9.028 -8.041 1.00 0.00 H new ATOM 0 HB THR A 73 -1.796 11.997 -7.600 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.000 11.365 -5.965 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.864 11.591 -8.883 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.412 11.225 -9.844 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.369 9.901 -9.139 1.00 0.00 H new ATOM 976 N SER A 74 1.014 11.205 -8.652 1.00 0.00 N ATOM 977 CA SER A 74 1.949 11.708 -9.652 1.00 0.00 C ATOM 978 C SER A 74 3.364 11.225 -9.357 1.00 0.00 C ATOM 979 O SER A 74 4.104 10.844 -10.264 1.00 0.00 O ATOM 980 CB SER A 74 1.916 13.237 -9.690 1.00 0.00 C ATOM 981 OG SER A 74 0.661 13.709 -10.148 1.00 0.00 O ATOM 0 H SER A 74 1.262 11.438 -7.690 1.00 0.00 H new ATOM 0 HA SER A 74 1.646 11.323 -10.626 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.116 13.633 -8.694 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.707 13.605 -10.344 1.00 0.00 H new ATOM 0 HG SER A 74 0.665 14.689 -10.161 1.00 0.00 H new ATOM 987 N VAL A 75 3.732 11.238 -8.080 1.00 0.00 N ATOM 988 CA VAL A 75 5.056 10.798 -7.657 1.00 0.00 C ATOM 989 C VAL A 75 5.060 9.305 -7.345 1.00 0.00 C ATOM 990 O VAL A 75 4.205 8.815 -6.607 1.00 0.00 O ATOM 991 CB VAL A 75 5.532 11.571 -6.413 1.00 0.00 C ATOM 992 CG1 VAL A 75 6.784 10.932 -5.832 1.00 0.00 C ATOM 993 CG2 VAL A 75 5.777 13.032 -6.753 1.00 0.00 C ATOM 0 H VAL A 75 3.130 11.550 -7.318 1.00 0.00 H new ATOM 0 HA VAL A 75 5.738 10.998 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 75 4.747 11.525 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.105 11.493 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.568 9.903 -5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.578 10.942 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.113 13.562 -5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.542 13.102 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.852 13.481 -7.115 1.00 0.00 H new ATOM 1003 N THR A 76 6.024 8.586 -7.912 1.00 0.00 N ATOM 1004 CA THR A 76 6.133 7.154 -7.693 1.00 0.00 C ATOM 1005 C THR A 76 7.049 6.849 -6.511 1.00 0.00 C ATOM 1006 O THR A 76 8.024 7.561 -6.272 1.00 0.00 O ATOM 1007 CB THR A 76 6.672 6.444 -8.950 1.00 0.00 C ATOM 1008 OG1 THR A 76 5.625 6.299 -9.918 1.00 0.00 O ATOM 1009 CG2 THR A 76 7.235 5.078 -8.601 1.00 0.00 C ATOM 0 H THR A 76 6.739 8.975 -8.526 1.00 0.00 H new ATOM 0 HA THR A 76 5.132 6.782 -7.473 1.00 0.00 H new ATOM 0 HB THR A 76 7.473 7.054 -9.368 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.976 5.849 -10.714 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.609 4.597 -9.505 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.050 5.192 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.450 4.463 -8.161 1.00 0.00 H new ATOM 1017 N PRO A 77 6.751 5.778 -5.754 1.00 0.00 N ATOM 1018 CA PRO A 77 7.537 5.372 -4.609 1.00 0.00 C ATOM 1019 C PRO A 77 8.551 4.290 -4.962 1.00 0.00 C ATOM 1020 O PRO A 77 8.245 3.360 -5.709 1.00 0.00 O ATOM 1021 CB PRO A 77 6.470 4.819 -3.656 1.00 0.00 C ATOM 1022 CG PRO A 77 5.276 4.493 -4.516 1.00 0.00 C ATOM 1023 CD PRO A 77 5.624 4.863 -5.936 1.00 0.00 C ATOM 0 HA PRO A 77 8.129 6.188 -4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.832 3.931 -3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.212 5.552 -2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.031 3.433 -4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.399 5.046 -4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.901 3.990 -6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.789 5.343 -6.447 1.00 0.00 H new ATOM 1031 N VAL A 78 9.759 4.413 -4.423 1.00 0.00 N ATOM 1032 CA VAL A 78 10.811 3.439 -4.687 1.00 0.00 C ATOM 1033 C VAL A 78 11.374 2.866 -3.395 1.00 0.00 C ATOM 1034 O VAL A 78 11.335 3.507 -2.344 1.00 0.00 O ATOM 1035 CB VAL A 78 11.970 4.057 -5.493 1.00 0.00 C ATOM 1036 CG1 VAL A 78 12.937 2.978 -5.964 1.00 0.00 C ATOM 1037 CG2 VAL A 78 11.436 4.859 -6.670 1.00 0.00 C ATOM 0 H VAL A 78 10.033 5.175 -3.803 1.00 0.00 H new ATOM 0 HA VAL A 78 10.350 2.642 -5.271 1.00 0.00 H new ATOM 0 HB VAL A 78 12.517 4.736 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.747 3.437 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.349 2.456 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.408 2.267 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.270 5.287 -7.227 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.860 4.205 -7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.795 5.660 -6.303 1.00 0.00 H new ATOM 1047 N LEU A 79 11.914 1.661 -3.491 1.00 0.00 N ATOM 1048 CA LEU A 79 12.514 0.988 -2.348 1.00 0.00 C ATOM 1049 C LEU A 79 14.010 0.837 -2.585 1.00 0.00 C ATOM 1050 O LEU A 79 14.438 -0.048 -3.319 1.00 0.00 O ATOM 1051 CB LEU A 79 11.851 -0.382 -2.137 1.00 0.00 C ATOM 1052 CG LEU A 79 12.706 -1.453 -1.447 1.00 0.00 C ATOM 1053 CD1 LEU A 79 13.535 -2.221 -2.468 1.00 0.00 C ATOM 1054 CD2 LEU A 79 13.602 -0.839 -0.380 1.00 0.00 C ATOM 0 H LEU A 79 11.949 1.124 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 79 12.358 1.581 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.945 -0.236 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.542 -0.766 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 79 12.031 -2.153 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.134 -2.975 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.872 -2.707 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.194 -1.531 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.196 -1.622 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.266 -0.107 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.986 -0.347 0.373 1.00 0.00 H new ATOM 1066 N ARG A 80 14.797 1.724 -1.982 1.00 0.00 N ATOM 1067 CA ARG A 80 16.246 1.703 -2.154 1.00 0.00 C ATOM 1068 C ARG A 80 16.606 1.941 -3.618 1.00 0.00 C ATOM 1069 O ARG A 80 17.256 2.929 -3.959 1.00 0.00 O ATOM 1070 CB ARG A 80 16.830 0.371 -1.679 1.00 0.00 C ATOM 1071 CG ARG A 80 18.130 0.519 -0.905 1.00 0.00 C ATOM 1072 CD ARG A 80 17.991 1.521 0.229 1.00 0.00 C ATOM 1073 NE ARG A 80 18.331 0.936 1.523 1.00 0.00 N ATOM 1074 CZ ARG A 80 17.862 1.389 2.681 1.00 0.00 C ATOM 1075 NH1 ARG A 80 17.039 2.428 2.704 1.00 0.00 N ATOM 1076 NH2 ARG A 80 18.216 0.802 3.816 1.00 0.00 N ATOM 0 H ARG A 80 14.456 2.466 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 80 16.674 2.502 -1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.097 -0.134 -1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 80 17.002 -0.270 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 80 18.427 -0.449 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.923 0.840 -1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.638 2.377 0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.968 1.895 0.258 1.00 0.00 H new ATOM 0 HE ARG A 80 18.963 0.136 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 80 16.765 2.881 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 80 16.680 2.775 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.849 0.002 3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 80 17.856 1.150 4.704 1.00 0.00 H new ATOM 1090 N GLY A 81 16.163 1.031 -4.476 1.00 0.00 N ATOM 1091 CA GLY A 81 16.423 1.146 -5.893 1.00 0.00 C ATOM 1092 C GLY A 81 15.453 0.330 -6.726 1.00 0.00 C ATOM 1093 O GLY A 81 15.759 -0.045 -7.858 1.00 0.00 O ATOM 0 H GLY A 81 15.623 0.208 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.359 2.193 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.442 0.818 -6.101 1.00 0.00 H new ATOM 1097 N GLN A 82 14.280 0.057 -6.163 1.00 0.00 N ATOM 1098 CA GLN A 82 13.258 -0.717 -6.859 1.00 0.00 C ATOM 1099 C GLN A 82 11.918 0.012 -6.832 1.00 0.00 C ATOM 1100 O GLN A 82 11.181 -0.058 -5.849 1.00 0.00 O ATOM 1101 CB GLN A 82 13.114 -2.101 -6.223 1.00 0.00 C ATOM 1102 CG GLN A 82 12.900 -3.216 -7.233 1.00 0.00 C ATOM 1103 CD GLN A 82 14.201 -3.835 -7.702 1.00 0.00 C ATOM 1104 OE1 GLN A 82 14.778 -3.412 -8.704 1.00 0.00 O ATOM 1105 NE2 GLN A 82 14.670 -4.846 -6.979 1.00 0.00 N ATOM 0 H GLN A 82 14.014 0.360 -5.226 1.00 0.00 H new ATOM 0 HA GLN A 82 13.568 -0.835 -7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.008 -2.318 -5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.275 -2.086 -5.527 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.274 -3.989 -6.788 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.358 -2.823 -8.093 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.159 -5.164 -6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.541 -5.304 -7.247 1.00 0.00 H new ATOM 1114 N PRO A 83 11.592 0.728 -7.917 1.00 0.00 N ATOM 1115 CA PRO A 83 10.339 1.485 -8.024 1.00 0.00 C ATOM 1116 C PRO A 83 9.106 0.619 -7.788 1.00 0.00 C ATOM 1117 O PRO A 83 8.718 -0.172 -8.647 1.00 0.00 O ATOM 1118 CB PRO A 83 10.355 2.005 -9.464 1.00 0.00 C ATOM 1119 CG PRO A 83 11.794 2.019 -9.848 1.00 0.00 C ATOM 1120 CD PRO A 83 12.425 0.865 -9.123 1.00 0.00 C ATOM 0 HA PRO A 83 10.280 2.271 -7.271 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.776 1.359 -10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.918 3.002 -9.529 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.911 1.914 -10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.264 2.961 -9.567 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.414 -0.043 -9.725 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.466 1.068 -8.872 1.00 0.00 H new ATOM 1128 N ILE A 84 8.487 0.786 -6.624 1.00 0.00 N ATOM 1129 CA ILE A 84 7.289 0.030 -6.281 1.00 0.00 C ATOM 1130 C ILE A 84 6.058 0.929 -6.333 1.00 0.00 C ATOM 1131 O ILE A 84 5.871 1.794 -5.478 1.00 0.00 O ATOM 1132 CB ILE A 84 7.403 -0.612 -4.881 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.665 0.451 -3.813 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.511 -1.654 -4.869 1.00 0.00 C ATOM 1135 CD1 ILE A 84 8.233 -0.115 -2.526 1.00 0.00 C ATOM 0 H ILE A 84 8.795 1.438 -5.903 1.00 0.00 H new ATOM 0 HA ILE A 84 7.187 -0.769 -7.016 1.00 0.00 H new ATOM 0 HB ILE A 84 6.456 -1.100 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 84 8.357 1.193 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.733 0.971 -3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.581 -2.099 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.288 -2.431 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.459 -1.180 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.394 0.693 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.532 -0.836 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.181 -0.610 -2.734 1.00 0.00 H new ATOM 1147 N TYR A 85 5.231 0.726 -7.355 1.00 0.00 N ATOM 1148 CA TYR A 85 4.025 1.527 -7.540 1.00 0.00 C ATOM 1149 C TYR A 85 3.023 1.304 -6.411 1.00 0.00 C ATOM 1150 O TYR A 85 2.857 0.188 -5.921 1.00 0.00 O ATOM 1151 CB TYR A 85 3.372 1.194 -8.882 1.00 0.00 C ATOM 1152 CG TYR A 85 4.258 1.476 -10.074 1.00 0.00 C ATOM 1153 CD1 TYR A 85 5.509 2.059 -9.913 1.00 0.00 C ATOM 1154 CD2 TYR A 85 3.844 1.157 -11.362 1.00 0.00 C ATOM 1155 CE1 TYR A 85 6.321 2.318 -11.001 1.00 0.00 C ATOM 1156 CE2 TYR A 85 4.650 1.412 -12.454 1.00 0.00 C ATOM 1157 CZ TYR A 85 5.887 1.992 -12.269 1.00 0.00 C ATOM 1158 OH TYR A 85 6.692 2.248 -13.354 1.00 0.00 O ATOM 0 H TYR A 85 5.375 0.012 -8.069 1.00 0.00 H new ATOM 0 HA TYR A 85 4.321 2.576 -7.527 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.093 0.140 -8.889 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.451 1.769 -8.981 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.852 2.314 -8.921 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.876 0.702 -11.511 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.290 2.773 -10.859 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.313 1.158 -13.448 1.00 0.00 H new ATOM 0 HH TYR A 85 6.239 1.958 -14.173 1.00 0.00 H new ATOM 1168 N ILE A 86 2.355 2.382 -6.010 1.00 0.00 N ATOM 1169 CA ILE A 86 1.363 2.323 -4.949 1.00 0.00 C ATOM 1170 C ILE A 86 0.036 2.911 -5.428 1.00 0.00 C ATOM 1171 O ILE A 86 0.006 3.976 -6.046 1.00 0.00 O ATOM 1172 CB ILE A 86 1.852 3.085 -3.699 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.845 2.230 -2.911 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.682 3.493 -2.817 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.822 3.042 -2.090 1.00 0.00 C ATOM 0 H ILE A 86 2.487 3.311 -6.409 1.00 0.00 H new ATOM 0 HA ILE A 86 1.214 1.276 -4.683 1.00 0.00 H new ATOM 0 HB ILE A 86 2.357 3.993 -4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.293 1.563 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.401 1.601 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.054 4.028 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.010 4.141 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.142 2.603 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.496 2.371 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.401 3.690 -2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.275 3.652 -1.371 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.058 2.213 -5.141 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.383 2.671 -5.546 1.00 0.00 C ATOM 1189 C GLN A 87 -3.449 2.205 -4.559 1.00 0.00 C ATOM 1190 O GLN A 87 -3.172 1.415 -3.657 1.00 0.00 O ATOM 1191 CB GLN A 87 -2.714 2.164 -6.951 1.00 0.00 C ATOM 1192 CG GLN A 87 -3.067 0.686 -6.996 1.00 0.00 C ATOM 1193 CD GLN A 87 -4.266 0.401 -7.878 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -4.252 -0.530 -8.683 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -5.313 1.203 -7.730 1.00 0.00 N ATOM 0 H GLN A 87 -1.054 1.330 -4.631 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.375 3.761 -5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.549 2.741 -7.349 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.861 2.345 -7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.209 0.122 -7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.272 0.334 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.281 1.963 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.149 1.060 -8.296 1.00 0.00 H new ATOM 1204 N PHE A 88 -4.670 2.700 -4.741 1.00 0.00 N ATOM 1205 CA PHE A 88 -5.781 2.337 -3.871 1.00 0.00 C ATOM 1206 C PHE A 88 -6.123 0.857 -4.014 1.00 0.00 C ATOM 1207 O PHE A 88 -5.422 0.112 -4.698 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.010 3.189 -4.197 1.00 0.00 C ATOM 1209 CG PHE A 88 -6.946 4.580 -3.633 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -6.967 4.788 -2.264 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -6.864 5.679 -4.474 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.908 6.067 -1.742 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -6.806 6.959 -3.959 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.828 7.155 -2.591 1.00 0.00 C ATOM 0 H PHE A 88 -4.914 3.354 -5.485 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.479 2.524 -2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.122 3.250 -5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.900 2.691 -3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.030 3.941 -1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.845 5.532 -5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.924 6.216 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.743 7.807 -4.625 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.783 8.155 -2.186 1.00 0.00 H new