USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 668 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 10 CYS SG : rot 180:sc= -1.1! USER MOD Set 1.2: A 68 ASN : amide:sc= -0.106 K(o=-1.2,f=-3.3!) USER MOD Set 2.1: A 29 CYS SG : rot 180:sc= -0.423 USER MOD Set 2.2: A 30 GLN : amide:sc= -1.78 K(o=-2.2,f=-0.55) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -5.97! C(o=-6.3!,f=-6.9!) USER MOD Set 3.2: A 18 SER OG : rot 180:sc= -0.34 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= -0.312 (180deg=-1.38) USER MOD Single : A 2 CYS SG : rot 74:sc= -0.442 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.393 (180deg=-0.59) USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= -0.113 (180deg=-0.182) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot -32:sc= -2.2! USER MOD Single : A 41 GLN : amide:sc= 0.0439 X(o=0.044,f=0) USER MOD Single : A 44 MET CE :methyl 162:sc=-0.00439 (180deg=-0.643) USER MOD Single : A 47 SER OG : rot 60:sc= -0.806 USER MOD Single : A 50 CYS SG : rot 7:sc= -0.41 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -3.1! USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.86! USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00798 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 82 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.63) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 92.438 -13.403 -9.994 1.00 0.00 N ATOM 2 CA MET A 1 92.807 -13.962 -8.661 1.00 0.00 C ATOM 3 C MET A 1 92.435 -12.976 -7.551 1.00 0.00 C ATOM 4 O MET A 1 93.214 -12.708 -6.658 1.00 0.00 O ATOM 5 CB MET A 1 94.322 -14.159 -8.717 1.00 0.00 C ATOM 6 CG MET A 1 94.685 -14.957 -9.970 1.00 0.00 C ATOM 7 SD MET A 1 95.952 -16.183 -9.558 1.00 0.00 S ATOM 8 CE MET A 1 96.669 -16.329 -11.212 1.00 0.00 C ATOM 0 H1 MET A 1 92.062 -14.162 -10.597 1.00 0.00 H new ATOM 0 H2 MET A 1 91.714 -12.666 -9.873 1.00 0.00 H new ATOM 0 H3 MET A 1 93.281 -12.990 -10.443 1.00 0.00 H new ATOM 0 HA MET A 1 92.283 -14.893 -8.447 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.825 -13.192 -8.730 1.00 0.00 H new ATOM 0 HB3 MET A 1 94.665 -14.685 -7.826 1.00 0.00 H new ATOM 0 HG2 MET A 1 93.800 -15.453 -10.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 95.051 -14.287 -10.748 1.00 0.00 H new ATOM 0 HE1 MET A 1 97.487 -17.049 -11.192 1.00 0.00 H new ATOM 0 HE2 MET A 1 95.905 -16.668 -11.911 1.00 0.00 H new ATOM 0 HE3 MET A 1 97.048 -15.358 -11.531 1.00 0.00 H new ATOM 18 N CYS A 2 91.249 -12.432 -7.602 1.00 0.00 N ATOM 19 CA CYS A 2 90.824 -11.462 -6.552 1.00 0.00 C ATOM 20 C CYS A 2 89.514 -10.786 -6.963 1.00 0.00 C ATOM 21 O CYS A 2 89.241 -10.606 -8.134 1.00 0.00 O ATOM 22 CB CYS A 2 91.954 -10.435 -6.472 1.00 0.00 C ATOM 23 SG CYS A 2 92.676 -10.458 -4.812 1.00 0.00 S ATOM 0 H CYS A 2 90.555 -12.618 -8.326 1.00 0.00 H new ATOM 0 HA CYS A 2 90.649 -11.945 -5.591 1.00 0.00 H new ATOM 0 HB2 CYS A 2 92.718 -10.661 -7.216 1.00 0.00 H new ATOM 0 HB3 CYS A 2 91.572 -9.440 -6.700 1.00 0.00 H new ATOM 0 HG CYS A 2 93.394 -11.532 -4.666 1.00 0.00 H new ATOM 29 N ALA A 3 88.701 -10.411 -6.014 1.00 0.00 N ATOM 30 CA ALA A 3 87.412 -9.749 -6.361 1.00 0.00 C ATOM 31 C ALA A 3 87.041 -8.711 -5.299 1.00 0.00 C ATOM 32 O ALA A 3 85.978 -8.759 -4.715 1.00 0.00 O ATOM 33 CB ALA A 3 86.382 -10.878 -6.389 1.00 0.00 C ATOM 0 H ALA A 3 88.873 -10.534 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 3 87.466 -9.220 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 3 85.402 -10.471 -6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 3 86.670 -11.615 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 3 86.338 -11.355 -5.410 1.00 0.00 H new ATOM 39 N VAL A 4 87.911 -7.771 -5.047 1.00 0.00 N ATOM 40 CA VAL A 4 87.606 -6.731 -4.027 1.00 0.00 C ATOM 41 C VAL A 4 86.738 -5.630 -4.641 1.00 0.00 C ATOM 42 O VAL A 4 86.795 -5.371 -5.827 1.00 0.00 O ATOM 43 CB VAL A 4 88.967 -6.174 -3.617 1.00 0.00 C ATOM 44 CG1 VAL A 4 89.829 -7.301 -3.043 1.00 0.00 C ATOM 45 CG2 VAL A 4 89.660 -5.576 -4.842 1.00 0.00 C ATOM 0 H VAL A 4 88.819 -7.679 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 4 87.055 -7.132 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 4 88.831 -5.401 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 4 90.801 -6.903 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 4 89.335 -7.729 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 4 89.966 -8.075 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 4 90.632 -5.178 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 4 89.796 -6.350 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 4 89.047 -4.773 -5.251 1.00 0.00 H new ATOM 55 N LEU A 5 85.931 -4.984 -3.846 1.00 0.00 N ATOM 56 CA LEU A 5 85.059 -3.902 -4.388 1.00 0.00 C ATOM 57 C LEU A 5 85.895 -2.674 -4.751 1.00 0.00 C ATOM 58 O LEU A 5 86.469 -2.027 -3.898 1.00 0.00 O ATOM 59 CB LEU A 5 84.085 -3.574 -3.255 1.00 0.00 C ATOM 60 CG LEU A 5 83.145 -4.759 -3.031 1.00 0.00 C ATOM 61 CD1 LEU A 5 82.193 -4.448 -1.875 1.00 0.00 C ATOM 62 CD2 LEU A 5 82.334 -5.011 -4.304 1.00 0.00 C ATOM 0 H LEU A 5 85.837 -5.158 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 5 84.541 -4.208 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 5 84.635 -3.355 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 5 83.510 -2.682 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 5 83.731 -5.646 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 5 81.524 -5.294 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 5 82.769 -4.267 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 5 81.606 -3.561 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 5 81.663 -5.855 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 5 81.749 -4.123 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 5 83.011 -5.234 -5.129 1.00 0.00 H new ATOM 74 N ARG A 6 85.968 -2.345 -6.013 1.00 0.00 N ATOM 75 CA ARG A 6 86.767 -1.155 -6.425 1.00 0.00 C ATOM 76 C ARG A 6 85.865 0.075 -6.517 1.00 0.00 C ATOM 77 O ARG A 6 85.989 0.886 -7.412 1.00 0.00 O ATOM 78 CB ARG A 6 87.335 -1.509 -7.801 1.00 0.00 C ATOM 79 CG ARG A 6 88.325 -2.668 -7.664 1.00 0.00 C ATOM 80 CD ARG A 6 89.667 -2.268 -8.281 1.00 0.00 C ATOM 81 NE ARG A 6 90.579 -3.409 -7.989 1.00 0.00 N ATOM 82 CZ ARG A 6 91.631 -3.227 -7.238 1.00 0.00 C ATOM 83 NH1 ARG A 6 91.511 -2.644 -6.076 1.00 0.00 N ATOM 84 NH2 ARG A 6 92.803 -3.628 -7.649 1.00 0.00 N ATOM 0 H ARG A 6 85.511 -2.847 -6.774 1.00 0.00 H new ATOM 0 HA ARG A 6 87.556 -0.920 -5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 6 86.527 -1.785 -8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 6 87.833 -0.642 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 6 88.458 -2.925 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 6 87.934 -3.555 -8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 6 89.574 -2.101 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 6 90.041 -1.342 -7.846 1.00 0.00 H new ATOM 0 HE ARG A 6 90.382 -4.332 -8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 6 90.595 -2.331 -5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 6 92.333 -2.502 -5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 6 92.897 -4.083 -8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 6 93.625 -3.486 -7.062 1.00 0.00 H new ATOM 98 N GLN A 7 84.959 0.218 -5.590 1.00 0.00 N ATOM 99 CA GLN A 7 84.038 1.393 -5.607 1.00 0.00 C ATOM 100 C GLN A 7 82.947 1.219 -4.547 1.00 0.00 C ATOM 101 O GLN A 7 82.343 0.170 -4.445 1.00 0.00 O ATOM 102 CB GLN A 7 83.422 1.410 -7.010 1.00 0.00 C ATOM 103 CG GLN A 7 83.035 -0.012 -7.420 1.00 0.00 C ATOM 104 CD GLN A 7 82.141 0.038 -8.660 1.00 0.00 C ATOM 105 OE1 GLN A 7 80.963 -0.251 -8.585 1.00 0.00 O ATOM 106 NE2 GLN A 7 82.652 0.393 -9.807 1.00 0.00 N ATOM 0 H GLN A 7 84.815 -0.431 -4.817 1.00 0.00 H new ATOM 0 HA GLN A 7 84.559 2.324 -5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 7 82.543 2.055 -7.024 1.00 0.00 H new ATOM 0 HB3 GLN A 7 84.133 1.824 -7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 7 83.930 -0.598 -7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 7 82.512 -0.508 -6.602 1.00 0.00 H new ATOM 0 HE21 GLN A 7 83.641 0.636 -9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 7 82.063 0.428 -10.639 1.00 0.00 H new ATOM 115 N PRO A 8 82.731 2.260 -3.789 1.00 0.00 N ATOM 116 CA PRO A 8 81.701 2.223 -2.722 1.00 0.00 C ATOM 117 C PRO A 8 80.297 2.302 -3.329 1.00 0.00 C ATOM 118 O PRO A 8 80.027 3.119 -4.187 1.00 0.00 O ATOM 119 CB PRO A 8 82.005 3.464 -1.890 1.00 0.00 C ATOM 120 CG PRO A 8 82.709 4.399 -2.823 1.00 0.00 C ATOM 121 CD PRO A 8 83.418 3.555 -3.853 1.00 0.00 C ATOM 0 HA PRO A 8 81.725 1.305 -2.135 1.00 0.00 H new ATOM 0 HB2 PRO A 8 81.090 3.911 -1.501 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.631 3.219 -1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 8 81.998 5.072 -3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.421 5.021 -2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.346 3.996 -4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.479 3.455 -3.625 1.00 0.00 H new ATOM 129 N LYS A 9 79.403 1.459 -2.890 1.00 0.00 N ATOM 130 CA LYS A 9 78.018 1.487 -3.443 1.00 0.00 C ATOM 131 C LYS A 9 77.191 2.571 -2.744 1.00 0.00 C ATOM 132 O LYS A 9 77.579 3.096 -1.720 1.00 0.00 O ATOM 133 CB LYS A 9 77.446 0.100 -3.148 1.00 0.00 C ATOM 134 CG LYS A 9 77.325 -0.689 -4.452 1.00 0.00 C ATOM 135 CD LYS A 9 75.857 -0.750 -4.878 1.00 0.00 C ATOM 136 CE LYS A 9 75.098 -1.716 -3.966 1.00 0.00 C ATOM 137 NZ LYS A 9 75.459 -3.074 -4.459 1.00 0.00 N ATOM 0 H LYS A 9 79.571 0.753 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 9 78.003 1.715 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 9 78.092 -0.430 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.469 0.191 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 9 77.922 -0.216 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 9 77.718 -1.697 -4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.411 0.243 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 9 75.782 -1.078 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 9 75.388 -1.585 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 9 74.022 -1.549 -4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 74.798 -3.773 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 75.404 -3.092 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 76.428 -3.306 -4.159 1.00 0.00 H new ATOM 151 N CYS A 10 76.055 2.910 -3.291 1.00 0.00 N ATOM 152 CA CYS A 10 75.208 3.961 -2.657 1.00 0.00 C ATOM 153 C CYS A 10 73.730 3.564 -2.717 1.00 0.00 C ATOM 154 O CYS A 10 73.316 2.800 -3.567 1.00 0.00 O ATOM 155 CB CYS A 10 75.459 5.222 -3.485 1.00 0.00 C ATOM 156 SG CYS A 10 77.241 5.472 -3.677 1.00 0.00 S ATOM 0 H CYS A 10 75.677 2.506 -4.148 1.00 0.00 H new ATOM 0 HA CYS A 10 75.452 4.107 -1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 10 74.987 5.128 -4.463 1.00 0.00 H new ATOM 0 HB3 CYS A 10 75.010 6.087 -2.996 1.00 0.00 H new ATOM 0 HG CYS A 10 77.455 6.543 -4.382 1.00 0.00 H new ATOM 162 N VAL A 11 72.933 4.078 -1.821 1.00 0.00 N ATOM 163 CA VAL A 11 71.481 3.734 -1.822 1.00 0.00 C ATOM 164 C VAL A 11 70.666 4.901 -1.261 1.00 0.00 C ATOM 165 O VAL A 11 70.983 5.448 -0.223 1.00 0.00 O ATOM 166 CB VAL A 11 71.363 2.515 -0.907 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.269 1.396 -1.426 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.795 2.907 0.508 1.00 0.00 C ATOM 0 H VAL A 11 73.224 4.723 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 11 71.104 3.531 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 11 70.331 2.165 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.184 0.527 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 11 71.966 1.122 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.303 1.741 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.713 2.042 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.828 3.253 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.151 3.706 0.877 1.00 0.00 H new ATOM 178 N LYS A 12 69.619 5.289 -1.936 1.00 0.00 N ATOM 179 CA LYS A 12 68.789 6.421 -1.433 1.00 0.00 C ATOM 180 C LYS A 12 67.691 5.892 -0.507 1.00 0.00 C ATOM 181 O LYS A 12 66.579 5.644 -0.927 1.00 0.00 O ATOM 182 CB LYS A 12 68.180 7.056 -2.683 1.00 0.00 C ATOM 183 CG LYS A 12 69.254 7.854 -3.426 1.00 0.00 C ATOM 184 CD LYS A 12 68.953 9.349 -3.304 1.00 0.00 C ATOM 185 CE LYS A 12 70.263 10.123 -3.149 1.00 0.00 C ATOM 186 NZ LYS A 12 70.058 10.997 -1.961 1.00 0.00 N ATOM 0 H LYS A 12 69.303 4.873 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 12 69.373 7.141 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.771 6.283 -3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.353 7.710 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.238 7.635 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 12 69.279 7.561 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 12 68.416 9.696 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 12 68.307 9.532 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 12 71.105 9.447 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.480 10.713 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 70.943 11.497 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 69.311 11.691 -2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 69.777 10.415 -1.146 1.00 0.00 H new ATOM 200 N LEU A 13 67.998 5.713 0.748 1.00 0.00 N ATOM 201 CA LEU A 13 66.974 5.194 1.700 1.00 0.00 C ATOM 202 C LEU A 13 65.832 6.200 1.864 1.00 0.00 C ATOM 203 O LEU A 13 65.825 7.003 2.776 1.00 0.00 O ATOM 204 CB LEU A 13 67.719 5.010 3.022 1.00 0.00 C ATOM 205 CG LEU A 13 67.321 3.672 3.650 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.085 2.539 2.964 1.00 0.00 C ATOM 207 CD2 LEU A 13 67.665 3.688 5.141 1.00 0.00 C ATOM 0 H LEU A 13 68.913 5.903 1.156 1.00 0.00 H new ATOM 0 HA LEU A 13 66.525 4.265 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.795 5.038 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.482 5.828 3.702 1.00 0.00 H new ATOM 0 HG LEU A 13 66.250 3.516 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 13 67.802 1.586 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 13 67.842 2.528 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.157 2.694 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.382 2.736 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.737 3.844 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 13 67.122 4.496 5.631 1.00 0.00 H new ATOM 219 N ARG A 14 64.863 6.154 0.994 1.00 0.00 N ATOM 220 CA ARG A 14 63.712 7.097 1.103 1.00 0.00 C ATOM 221 C ARG A 14 62.701 6.552 2.118 1.00 0.00 C ATOM 222 O ARG A 14 62.612 5.361 2.335 1.00 0.00 O ATOM 223 CB ARG A 14 63.113 7.145 -0.310 1.00 0.00 C ATOM 224 CG ARG A 14 61.636 7.543 -0.248 1.00 0.00 C ATOM 225 CD ARG A 14 61.511 8.980 0.261 1.00 0.00 C ATOM 226 NE ARG A 14 60.212 9.014 0.987 1.00 0.00 N ATOM 227 CZ ARG A 14 59.626 10.156 1.223 1.00 0.00 C ATOM 228 NH1 ARG A 14 60.097 10.954 2.142 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.568 10.499 0.542 1.00 0.00 N ATOM 0 H ARG A 14 64.817 5.503 0.210 1.00 0.00 H new ATOM 0 HA ARG A 14 64.001 8.090 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.664 7.860 -0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.214 6.171 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.184 7.456 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.094 6.865 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.339 9.240 0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.523 9.694 -0.563 1.00 0.00 H new ATOM 0 HE ARG A 14 59.780 8.145 1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 14 60.923 10.685 2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.639 11.846 2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.199 9.875 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.110 11.392 0.726 1.00 0.00 H new ATOM 243 N ALA A 15 61.942 7.408 2.746 1.00 0.00 N ATOM 244 CA ALA A 15 60.949 6.915 3.743 1.00 0.00 C ATOM 245 C ALA A 15 59.608 7.631 3.560 1.00 0.00 C ATOM 246 O ALA A 15 59.549 8.838 3.438 1.00 0.00 O ATOM 247 CB ALA A 15 61.553 7.246 5.107 1.00 0.00 C ATOM 0 H ALA A 15 61.965 8.419 2.614 1.00 0.00 H new ATOM 0 HA ALA A 15 60.754 5.848 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.877 6.912 5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.512 6.739 5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.701 8.323 5.188 1.00 0.00 H new ATOM 253 N LEU A 16 58.530 6.895 3.544 1.00 0.00 N ATOM 254 CA LEU A 16 57.194 7.533 3.372 1.00 0.00 C ATOM 255 C LEU A 16 56.709 8.102 4.708 1.00 0.00 C ATOM 256 O LEU A 16 55.807 8.915 4.755 1.00 0.00 O ATOM 257 CB LEU A 16 56.272 6.409 2.897 1.00 0.00 C ATOM 258 CG LEU A 16 55.969 6.589 1.408 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.289 5.332 0.866 1.00 0.00 C ATOM 260 CD2 LEU A 16 55.040 7.791 1.218 1.00 0.00 C ATOM 0 H LEU A 16 58.517 5.880 3.643 1.00 0.00 H new ATOM 0 HA LEU A 16 57.218 8.361 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.744 5.441 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.345 6.418 3.471 1.00 0.00 H new ATOM 0 HG LEU A 16 56.901 6.758 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 16 55.074 5.463 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.949 4.475 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.358 5.160 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.824 7.920 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 16 54.110 7.621 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.524 8.689 1.601 1.00 0.00 H new ATOM 272 N HIS A 17 57.301 7.684 5.795 1.00 0.00 N ATOM 273 CA HIS A 17 56.871 8.209 7.122 1.00 0.00 C ATOM 274 C HIS A 17 57.537 9.562 7.395 1.00 0.00 C ATOM 275 O HIS A 17 57.316 10.180 8.417 1.00 0.00 O ATOM 276 CB HIS A 17 57.328 7.153 8.138 1.00 0.00 C ATOM 277 CG HIS A 17 58.793 7.328 8.446 1.00 0.00 C ATOM 278 ND1 HIS A 17 59.691 7.830 7.517 1.00 0.00 N ATOM 279 CD2 HIS A 17 59.528 7.074 9.578 1.00 0.00 C ATOM 280 CE1 HIS A 17 60.903 7.860 8.101 1.00 0.00 C ATOM 281 NE2 HIS A 17 60.860 7.411 9.357 1.00 0.00 N ATOM 0 H HIS A 17 58.061 7.004 5.821 1.00 0.00 H new ATOM 0 HA HIS A 17 55.795 8.375 7.175 1.00 0.00 H new ATOM 0 HB2 HIS A 17 56.743 7.241 9.054 1.00 0.00 H new ATOM 0 HB3 HIS A 17 57.149 6.154 7.741 1.00 0.00 H new ATOM 0 HD2 HIS A 17 59.132 6.674 10.500 1.00 0.00 H new ATOM 0 HE1 HIS A 17 61.802 8.206 7.612 1.00 0.00 H new ATOM 0 HE2 HIS A 17 61.636 7.332 10.014 1.00 0.00 H new ATOM 289 N SER A 18 58.353 10.024 6.485 1.00 0.00 N ATOM 290 CA SER A 18 59.032 11.335 6.689 1.00 0.00 C ATOM 291 C SER A 18 58.853 12.216 5.451 1.00 0.00 C ATOM 292 O SER A 18 57.992 11.979 4.627 1.00 0.00 O ATOM 293 CB SER A 18 60.506 10.988 6.896 1.00 0.00 C ATOM 294 OG SER A 18 60.748 10.778 8.281 1.00 0.00 O ATOM 0 H SER A 18 58.578 9.550 5.610 1.00 0.00 H new ATOM 0 HA SER A 18 58.623 11.889 7.534 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.764 10.093 6.330 1.00 0.00 H new ATOM 0 HB3 SER A 18 61.137 11.794 6.523 1.00 0.00 H new ATOM 0 HG SER A 18 61.692 10.553 8.418 1.00 0.00 H new ATOM 300 N ALA A 19 59.658 13.231 5.313 1.00 0.00 N ATOM 301 CA ALA A 19 59.529 14.125 4.129 1.00 0.00 C ATOM 302 C ALA A 19 60.834 14.140 3.327 1.00 0.00 C ATOM 303 O ALA A 19 61.214 15.147 2.766 1.00 0.00 O ATOM 304 CB ALA A 19 59.242 15.510 4.709 1.00 0.00 C ATOM 0 H ALA A 19 60.399 13.480 5.968 1.00 0.00 H new ATOM 0 HA ALA A 19 58.744 13.795 3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.133 16.229 3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.321 15.477 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 19 60.067 15.813 5.354 1.00 0.00 H new ATOM 310 N CYS A 20 61.525 13.033 3.267 1.00 0.00 N ATOM 311 CA CYS A 20 62.803 13.001 2.497 1.00 0.00 C ATOM 312 C CYS A 20 63.392 11.587 2.476 1.00 0.00 C ATOM 313 O CYS A 20 62.706 10.610 2.710 1.00 0.00 O ATOM 314 CB CYS A 20 63.732 13.960 3.242 1.00 0.00 C ATOM 315 SG CYS A 20 64.567 15.038 2.052 1.00 0.00 S ATOM 0 H CYS A 20 61.262 12.155 3.715 1.00 0.00 H new ATOM 0 HA CYS A 20 62.660 13.290 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 20 63.161 14.558 3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 20 64.467 13.397 3.817 1.00 0.00 H new ATOM 0 HG CYS A 20 65.355 15.855 2.685 1.00 0.00 H new ATOM 321 N LYS A 21 64.660 11.476 2.191 1.00 0.00 N ATOM 322 CA LYS A 21 65.305 10.132 2.145 1.00 0.00 C ATOM 323 C LYS A 21 66.685 10.184 2.805 1.00 0.00 C ATOM 324 O LYS A 21 66.984 11.073 3.576 1.00 0.00 O ATOM 325 CB LYS A 21 65.437 9.812 0.657 1.00 0.00 C ATOM 326 CG LYS A 21 66.504 10.715 0.034 1.00 0.00 C ATOM 327 CD LYS A 21 65.901 11.479 -1.146 1.00 0.00 C ATOM 328 CE LYS A 21 65.697 10.524 -2.323 1.00 0.00 C ATOM 329 NZ LYS A 21 64.367 10.885 -2.885 1.00 0.00 N ATOM 0 H LYS A 21 65.280 12.260 1.987 1.00 0.00 H new ATOM 0 HA LYS A 21 64.727 9.377 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 21 65.707 8.765 0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.481 9.962 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.883 11.415 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.351 10.117 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.949 11.924 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 21 66.560 12.297 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 21 66.485 10.641 -3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 21 65.719 9.484 -1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 64.156 10.272 -3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 63.636 10.758 -2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 64.379 11.878 -3.194 1.00 0.00 H new ATOM 343 N PHE A 22 67.528 9.235 2.505 1.00 0.00 N ATOM 344 CA PHE A 22 68.888 9.229 3.113 1.00 0.00 C ATOM 345 C PHE A 22 69.895 8.587 2.154 1.00 0.00 C ATOM 346 O PHE A 22 70.191 7.412 2.244 1.00 0.00 O ATOM 347 CB PHE A 22 68.749 8.393 4.385 1.00 0.00 C ATOM 348 CG PHE A 22 70.120 8.108 4.951 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.168 9.013 4.738 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.344 6.939 5.688 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.438 8.749 5.262 1.00 0.00 C ATOM 352 CE2 PHE A 22 71.615 6.675 6.213 1.00 0.00 C ATOM 353 CZ PHE A 22 72.662 7.579 6.000 1.00 0.00 C ATOM 0 H PHE A 22 67.334 8.464 1.866 1.00 0.00 H new ATOM 0 HA PHE A 22 69.250 10.235 3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.144 8.926 5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.233 7.458 4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 22 70.995 9.915 4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 22 69.536 6.241 5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 22 73.246 9.447 5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 22 71.787 5.774 6.782 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.642 7.375 6.404 1.00 0.00 H new ATOM 363 N GLY A 23 70.424 9.350 1.237 1.00 0.00 N ATOM 364 CA GLY A 23 71.412 8.785 0.275 1.00 0.00 C ATOM 365 C GLY A 23 72.693 8.406 1.021 1.00 0.00 C ATOM 366 O GLY A 23 73.572 9.221 1.218 1.00 0.00 O ATOM 0 H GLY A 23 70.215 10.340 1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 23 70.994 7.908 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.635 9.514 -0.504 1.00 0.00 H new ATOM 370 N VAL A 24 72.803 7.175 1.440 1.00 0.00 N ATOM 371 CA VAL A 24 74.027 6.744 2.176 1.00 0.00 C ATOM 372 C VAL A 24 74.888 5.838 1.286 1.00 0.00 C ATOM 373 O VAL A 24 74.388 5.152 0.418 1.00 0.00 O ATOM 374 CB VAL A 24 73.500 5.988 3.405 1.00 0.00 C ATOM 375 CG1 VAL A 24 73.228 4.522 3.059 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.535 6.062 4.528 1.00 0.00 C ATOM 0 H VAL A 24 72.099 6.449 1.305 1.00 0.00 H new ATOM 0 HA VAL A 24 74.662 7.581 2.464 1.00 0.00 H new ATOM 0 HB VAL A 24 72.567 6.450 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.855 4.003 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.483 4.468 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 24 74.151 4.050 2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.163 5.526 5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.468 5.608 4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.713 7.105 4.791 1.00 0.00 H new ATOM 386 N ALA A 25 76.178 5.834 1.492 1.00 0.00 N ATOM 387 CA ALA A 25 77.060 4.973 0.652 1.00 0.00 C ATOM 388 C ALA A 25 77.915 4.059 1.534 1.00 0.00 C ATOM 389 O ALA A 25 78.216 4.375 2.668 1.00 0.00 O ATOM 390 CB ALA A 25 77.945 5.951 -0.121 1.00 0.00 C ATOM 0 H ALA A 25 76.657 6.387 2.202 1.00 0.00 H new ATOM 0 HA ALA A 25 76.488 4.324 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.626 5.395 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.320 6.603 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.521 6.553 0.581 1.00 0.00 H new ATOM 396 N ALA A 26 78.311 2.928 1.018 1.00 0.00 N ATOM 397 CA ALA A 26 79.149 1.990 1.819 1.00 0.00 C ATOM 398 C ALA A 26 79.743 0.911 0.912 1.00 0.00 C ATOM 399 O ALA A 26 79.056 0.319 0.103 1.00 0.00 O ATOM 400 CB ALA A 26 78.191 1.368 2.835 1.00 0.00 C ATOM 0 H ALA A 26 78.090 2.612 0.074 1.00 0.00 H new ATOM 0 HA ALA A 26 79.984 2.494 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 26 78.735 0.663 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 26 77.761 2.153 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.393 0.844 2.309 1.00 0.00 H new ATOM 406 N ARG A 27 81.015 0.648 1.037 1.00 0.00 N ATOM 407 CA ARG A 27 81.649 -0.395 0.179 1.00 0.00 C ATOM 408 C ARG A 27 80.805 -1.671 0.195 1.00 0.00 C ATOM 409 O ARG A 27 80.294 -2.103 -0.819 1.00 0.00 O ATOM 410 CB ARG A 27 83.019 -0.645 0.808 1.00 0.00 C ATOM 411 CG ARG A 27 83.955 0.516 0.466 1.00 0.00 C ATOM 412 CD ARG A 27 85.141 -0.004 -0.350 1.00 0.00 C ATOM 413 NE ARG A 27 85.922 1.213 -0.707 1.00 0.00 N ATOM 414 CZ ARG A 27 86.937 1.123 -1.523 1.00 0.00 C ATOM 415 NH1 ARG A 27 86.992 0.152 -2.393 1.00 0.00 N ATOM 416 NH2 ARG A 27 87.896 2.007 -1.470 1.00 0.00 N ATOM 0 H ARG A 27 81.643 1.109 1.695 1.00 0.00 H new ATOM 0 HA ARG A 27 81.733 -0.083 -0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 27 82.923 -0.742 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.435 -1.583 0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.416 1.276 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 27 84.310 0.992 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.743 -0.704 0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.805 -0.534 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 27 85.663 2.118 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 27 86.242 -0.537 -2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 27 87.785 0.082 -3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 27 87.852 2.767 -0.791 1.00 0.00 H new ATOM 0 HH22 ARG A 27 88.689 1.937 -2.107 1.00 0.00 H new ATOM 430 N SER A 28 80.652 -2.278 1.340 1.00 0.00 N ATOM 431 CA SER A 28 79.838 -3.524 1.419 1.00 0.00 C ATOM 432 C SER A 28 78.348 -3.181 1.358 1.00 0.00 C ATOM 433 O SER A 28 77.739 -2.844 2.354 1.00 0.00 O ATOM 434 CB SER A 28 80.194 -4.144 2.770 1.00 0.00 C ATOM 435 OG SER A 28 80.471 -5.527 2.593 1.00 0.00 O ATOM 0 H SER A 28 81.055 -1.965 2.223 1.00 0.00 H new ATOM 0 HA SER A 28 80.041 -4.207 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 28 81.060 -3.640 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 28 79.370 -4.013 3.472 1.00 0.00 H new ATOM 0 HG SER A 28 80.701 -5.928 3.457 1.00 0.00 H new ATOM 441 N CYS A 29 77.758 -3.263 0.195 1.00 0.00 N ATOM 442 CA CYS A 29 76.308 -2.942 0.070 1.00 0.00 C ATOM 443 C CYS A 29 75.539 -3.541 1.248 1.00 0.00 C ATOM 444 O CYS A 29 74.569 -2.981 1.720 1.00 0.00 O ATOM 445 CB CYS A 29 75.866 -3.587 -1.244 1.00 0.00 C ATOM 446 SG CYS A 29 76.196 -5.365 -1.185 1.00 0.00 S ATOM 0 H CYS A 29 78.218 -3.538 -0.673 1.00 0.00 H new ATOM 0 HA CYS A 29 76.119 -1.868 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.803 -3.409 -1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 29 76.399 -3.135 -2.081 1.00 0.00 H new ATOM 0 HG CYS A 29 75.818 -5.914 -2.301 1.00 0.00 H new ATOM 452 N GLN A 30 75.974 -4.672 1.735 1.00 0.00 N ATOM 453 CA GLN A 30 75.275 -5.300 2.891 1.00 0.00 C ATOM 454 C GLN A 30 75.189 -4.298 4.042 1.00 0.00 C ATOM 455 O GLN A 30 74.245 -4.291 4.808 1.00 0.00 O ATOM 456 CB GLN A 30 76.142 -6.497 3.278 1.00 0.00 C ATOM 457 CG GLN A 30 75.267 -7.746 3.402 1.00 0.00 C ATOM 458 CD GLN A 30 75.206 -8.468 2.054 1.00 0.00 C ATOM 459 OE1 GLN A 30 74.900 -9.643 1.995 1.00 0.00 O ATOM 460 NE2 GLN A 30 75.484 -7.812 0.961 1.00 0.00 N ATOM 0 H GLN A 30 76.781 -5.186 1.383 1.00 0.00 H new ATOM 0 HA GLN A 30 74.256 -5.605 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.916 -6.656 2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.650 -6.301 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 30 75.672 -8.412 4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 30 74.263 -7.468 3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 30 75.741 -6.826 1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 30 75.444 -8.285 0.058 1.00 0.00 H new ATOM 469 N GLU A 31 76.166 -3.441 4.160 1.00 0.00 N ATOM 470 CA GLU A 31 76.141 -2.426 5.251 1.00 0.00 C ATOM 471 C GLU A 31 75.086 -1.367 4.935 1.00 0.00 C ATOM 472 O GLU A 31 74.373 -0.904 5.801 1.00 0.00 O ATOM 473 CB GLU A 31 77.540 -1.810 5.255 1.00 0.00 C ATOM 474 CG GLU A 31 78.235 -2.127 6.581 1.00 0.00 C ATOM 475 CD GLU A 31 78.312 -3.642 6.769 1.00 0.00 C ATOM 476 OE1 GLU A 31 78.280 -4.346 5.773 1.00 0.00 O ATOM 477 OE2 GLU A 31 78.401 -4.075 7.906 1.00 0.00 O ATOM 0 H GLU A 31 76.981 -3.400 3.548 1.00 0.00 H new ATOM 0 HA GLU A 31 75.891 -2.856 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.124 -2.203 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.474 -0.731 5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 31 79.237 -1.698 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 31 77.687 -1.675 7.408 1.00 0.00 H new ATOM 484 N LEU A 32 74.979 -0.990 3.691 1.00 0.00 N ATOM 485 CA LEU A 32 73.964 0.029 3.303 1.00 0.00 C ATOM 486 C LEU A 32 72.577 -0.445 3.738 1.00 0.00 C ATOM 487 O LEU A 32 71.800 0.299 4.303 1.00 0.00 O ATOM 488 CB LEU A 32 74.052 0.113 1.778 1.00 0.00 C ATOM 489 CG LEU A 32 75.206 1.035 1.382 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.610 0.753 -0.066 1.00 0.00 C ATOM 491 CD2 LEU A 32 74.759 2.492 1.511 1.00 0.00 C ATOM 0 H LEU A 32 75.552 -1.344 2.925 1.00 0.00 H new ATOM 0 HA LEU A 32 74.138 0.999 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 32 74.206 -0.881 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.115 0.491 1.370 1.00 0.00 H new ATOM 0 HG LEU A 32 76.057 0.855 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.433 1.410 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.927 -0.286 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.759 0.934 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 32 75.580 3.151 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 32 73.908 2.671 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 32 74.470 2.694 2.542 1.00 0.00 H new ATOM 503 N LEU A 33 72.268 -1.687 3.485 1.00 0.00 N ATOM 504 CA LEU A 33 70.939 -2.224 3.888 1.00 0.00 C ATOM 505 C LEU A 33 70.832 -2.246 5.414 1.00 0.00 C ATOM 506 O LEU A 33 70.028 -1.548 6.001 1.00 0.00 O ATOM 507 CB LEU A 33 70.903 -3.644 3.322 1.00 0.00 C ATOM 508 CG LEU A 33 70.523 -3.592 1.843 1.00 0.00 C ATOM 509 CD1 LEU A 33 70.830 -4.940 1.188 1.00 0.00 C ATOM 510 CD2 LEU A 33 69.029 -3.290 1.710 1.00 0.00 C ATOM 0 H LEU A 33 72.880 -2.354 3.015 1.00 0.00 H new ATOM 0 HA LEU A 33 70.110 -1.620 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.876 -4.120 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.182 -4.249 3.873 1.00 0.00 H new ATOM 0 HG LEU A 33 71.098 -2.809 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 33 70.559 -4.902 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 33 71.894 -5.156 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.256 -5.724 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 33 68.758 -3.253 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 33 68.454 -4.073 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 33 68.809 -2.329 2.175 1.00 0.00 H new ATOM 522 N ARG A 34 71.643 -3.037 6.064 1.00 0.00 N ATOM 523 CA ARG A 34 71.593 -3.094 7.551 1.00 0.00 C ATOM 524 C ARG A 34 71.548 -1.677 8.123 1.00 0.00 C ATOM 525 O ARG A 34 70.544 -1.238 8.647 1.00 0.00 O ATOM 526 CB ARG A 34 72.885 -3.798 7.968 1.00 0.00 C ATOM 527 CG ARG A 34 72.628 -5.300 8.106 1.00 0.00 C ATOM 528 CD ARG A 34 72.550 -5.672 9.590 1.00 0.00 C ATOM 529 NE ARG A 34 73.919 -5.419 10.121 1.00 0.00 N ATOM 530 CZ ARG A 34 74.435 -6.229 11.005 1.00 0.00 C ATOM 531 NH1 ARG A 34 73.972 -6.243 12.225 1.00 0.00 N ATOM 532 NH2 ARG A 34 75.413 -7.024 10.669 1.00 0.00 N ATOM 0 H ARG A 34 72.337 -3.645 5.629 1.00 0.00 H new ATOM 0 HA ARG A 34 70.710 -3.619 7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.664 -3.618 7.228 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.244 -3.392 8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 34 71.698 -5.568 7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.426 -5.862 7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 34 71.807 -5.068 10.110 1.00 0.00 H new ATOM 0 HD3 ARG A 34 72.262 -6.715 9.721 1.00 0.00 H new ATOM 0 HE ARG A 34 74.453 -4.614 9.794 1.00 0.00 H new ATOM 0 HH11 ARG A 34 73.207 -5.621 12.487 1.00 0.00 H new ATOM 0 HH12 ARG A 34 74.375 -6.876 12.916 1.00 0.00 H new ATOM 0 HH21 ARG A 34 75.775 -7.013 9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 34 75.816 -7.657 11.360 1.00 0.00 H new ATOM 546 N LYS A 35 72.630 -0.960 8.020 1.00 0.00 N ATOM 547 CA LYS A 35 72.654 0.434 8.549 1.00 0.00 C ATOM 548 C LYS A 35 71.429 1.202 8.053 1.00 0.00 C ATOM 549 O LYS A 35 71.008 2.173 8.650 1.00 0.00 O ATOM 550 CB LYS A 35 73.937 1.047 7.989 1.00 0.00 C ATOM 551 CG LYS A 35 75.147 0.394 8.661 1.00 0.00 C ATOM 552 CD LYS A 35 76.343 0.438 7.709 1.00 0.00 C ATOM 553 CE LYS A 35 76.519 1.862 7.178 1.00 0.00 C ATOM 554 NZ LYS A 35 77.970 2.158 7.344 1.00 0.00 N ATOM 0 H LYS A 35 73.500 -1.277 7.593 1.00 0.00 H new ATOM 0 HA LYS A 35 72.631 0.467 9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.983 0.900 6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.946 2.123 8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.387 0.915 9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.917 -0.638 8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.246 0.117 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 35 76.188 -0.254 6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 35 76.219 1.934 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 35 75.905 2.570 7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 78.170 3.119 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 78.226 2.089 8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 78.529 1.472 6.797 1.00 0.00 H new ATOM 568 N GLY A 36 70.851 0.771 6.965 1.00 0.00 N ATOM 569 CA GLY A 36 69.652 1.473 6.430 1.00 0.00 C ATOM 570 C GLY A 36 68.458 1.204 7.346 1.00 0.00 C ATOM 571 O GLY A 36 67.719 2.103 7.698 1.00 0.00 O ATOM 0 H GLY A 36 71.158 -0.037 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.842 2.544 6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.435 1.127 5.419 1.00 0.00 H new ATOM 575 N CYS A 37 68.263 -0.026 7.737 1.00 0.00 N ATOM 576 CA CYS A 37 67.116 -0.347 8.633 1.00 0.00 C ATOM 577 C CYS A 37 67.427 0.100 10.063 1.00 0.00 C ATOM 578 O CYS A 37 66.549 0.205 10.895 1.00 0.00 O ATOM 579 CB CYS A 37 66.968 -1.866 8.571 1.00 0.00 C ATOM 580 SG CYS A 37 65.794 -2.405 9.840 1.00 0.00 S ATOM 0 H CYS A 37 68.847 -0.821 7.476 1.00 0.00 H new ATOM 0 HA CYS A 37 66.202 0.161 8.327 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.619 -2.169 7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 37 67.935 -2.344 8.727 1.00 0.00 H new ATOM 0 HG CYS A 37 65.877 -1.617 10.871 1.00 0.00 H new ATOM 586 N VAL A 38 68.670 0.369 10.352 1.00 0.00 N ATOM 587 CA VAL A 38 69.035 0.815 11.726 1.00 0.00 C ATOM 588 C VAL A 38 68.707 2.301 11.893 1.00 0.00 C ATOM 589 O VAL A 38 68.062 2.704 12.840 1.00 0.00 O ATOM 590 CB VAL A 38 70.541 0.581 11.836 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.986 0.791 13.284 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.866 -0.852 11.406 1.00 0.00 C ATOM 0 H VAL A 38 69.448 0.299 9.697 1.00 0.00 H new ATOM 0 HA VAL A 38 68.487 0.275 12.498 1.00 0.00 H new ATOM 0 HB VAL A 38 71.066 1.284 11.189 1.00 0.00 H new ATOM 0 HG11 VAL A 38 72.060 0.624 13.362 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.754 1.811 13.592 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.461 0.088 13.931 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.940 -1.021 11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.341 -1.554 12.053 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.549 -1.003 10.374 1.00 0.00 H new ATOM 602 N ARG A 39 69.145 3.117 10.973 1.00 0.00 N ATOM 603 CA ARG A 39 68.856 4.575 11.071 1.00 0.00 C ATOM 604 C ARG A 39 67.363 4.826 10.844 1.00 0.00 C ATOM 605 O ARG A 39 66.752 5.645 11.503 1.00 0.00 O ATOM 606 CB ARG A 39 69.685 5.218 9.958 1.00 0.00 C ATOM 607 CG ARG A 39 70.223 6.567 10.437 1.00 0.00 C ATOM 608 CD ARG A 39 69.182 7.656 10.171 1.00 0.00 C ATOM 609 NE ARG A 39 69.972 8.844 9.741 1.00 0.00 N ATOM 610 CZ ARG A 39 69.499 10.045 9.930 1.00 0.00 C ATOM 611 NH1 ARG A 39 69.224 10.455 11.138 1.00 0.00 N ATOM 612 NH2 ARG A 39 69.304 10.838 8.913 1.00 0.00 N ATOM 0 H ARG A 39 69.690 2.836 10.158 1.00 0.00 H new ATOM 0 HA ARG A 39 69.105 4.985 12.050 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.511 4.563 9.680 1.00 0.00 H new ATOM 0 HB3 ARG A 39 69.073 5.354 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 39 70.453 6.521 11.501 1.00 0.00 H new ATOM 0 HG3 ARG A 39 71.153 6.804 9.920 1.00 0.00 H new ATOM 0 HD2 ARG A 39 68.478 7.349 9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 39 68.599 7.872 11.066 1.00 0.00 H new ATOM 0 HE ARG A 39 70.883 8.718 9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 39 69.379 9.836 11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 39 68.854 11.394 11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 39 69.521 10.519 7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 39 68.934 11.777 9.062 1.00 0.00 H new ATOM 626 N PHE A 40 66.770 4.117 9.923 1.00 0.00 N ATOM 627 CA PHE A 40 65.315 4.304 9.657 1.00 0.00 C ATOM 628 C PHE A 40 64.501 3.481 10.659 1.00 0.00 C ATOM 629 O PHE A 40 63.312 3.674 10.819 1.00 0.00 O ATOM 630 CB PHE A 40 65.101 3.776 8.237 1.00 0.00 C ATOM 631 CG PHE A 40 65.209 4.911 7.246 1.00 0.00 C ATOM 632 CD1 PHE A 40 65.983 6.039 7.547 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.535 4.833 6.021 1.00 0.00 C ATOM 634 CE1 PHE A 40 66.083 7.087 6.622 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.634 5.881 5.098 1.00 0.00 C ATOM 636 CZ PHE A 40 65.407 7.008 5.398 1.00 0.00 C ATOM 0 H PHE A 40 67.230 3.416 9.343 1.00 0.00 H new ATOM 0 HA PHE A 40 65.001 5.343 9.755 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.842 3.010 8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 40 64.121 3.305 8.158 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.503 6.101 8.492 1.00 0.00 H new ATOM 0 HD2 PHE A 40 63.938 3.964 5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.682 7.956 6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.113 5.819 4.154 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.482 7.817 4.686 1.00 0.00 H new ATOM 646 N GLN A 41 65.139 2.560 11.330 1.00 0.00 N ATOM 647 CA GLN A 41 64.412 1.717 12.321 1.00 0.00 C ATOM 648 C GLN A 41 63.248 0.989 11.644 1.00 0.00 C ATOM 649 O GLN A 41 62.109 1.402 11.734 1.00 0.00 O ATOM 650 CB GLN A 41 63.896 2.699 13.374 1.00 0.00 C ATOM 651 CG GLN A 41 64.780 2.620 14.620 1.00 0.00 C ATOM 652 CD GLN A 41 65.089 4.034 15.119 1.00 0.00 C ATOM 653 OE1 GLN A 41 64.352 4.585 15.914 1.00 0.00 O ATOM 654 NE2 GLN A 41 66.156 4.648 14.685 1.00 0.00 N ATOM 0 H GLN A 41 66.134 2.355 11.234 1.00 0.00 H new ATOM 0 HA GLN A 41 65.051 0.950 12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.901 3.713 12.975 1.00 0.00 H new ATOM 0 HB3 GLN A 41 62.863 2.463 13.632 1.00 0.00 H new ATOM 0 HG2 GLN A 41 64.276 2.050 15.400 1.00 0.00 H new ATOM 0 HG3 GLN A 41 65.706 2.094 14.389 1.00 0.00 H new ATOM 0 HE21 GLN A 41 66.774 4.186 14.018 1.00 0.00 H new ATOM 0 HE22 GLN A 41 66.371 5.590 15.013 1.00 0.00 H new ATOM 663 N LEU A 42 63.525 -0.092 10.966 1.00 0.00 N ATOM 664 CA LEU A 42 62.430 -0.842 10.283 1.00 0.00 C ATOM 665 C LEU A 42 62.358 -2.279 10.811 1.00 0.00 C ATOM 666 O LEU A 42 63.235 -3.080 10.550 1.00 0.00 O ATOM 667 CB LEU A 42 62.808 -0.834 8.802 1.00 0.00 C ATOM 668 CG LEU A 42 61.539 -0.925 7.955 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.803 -2.228 8.274 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.630 0.263 8.273 1.00 0.00 C ATOM 0 H LEU A 42 64.459 -0.488 10.855 1.00 0.00 H new ATOM 0 HA LEU A 42 61.453 -0.392 10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.356 0.077 8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.468 -1.672 8.579 1.00 0.00 H new ATOM 0 HG LEU A 42 61.806 -0.908 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.898 -2.292 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.450 -3.076 8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.536 -2.246 9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.724 0.200 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.364 0.245 9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.153 1.192 8.046 1.00 0.00 H new ATOM 682 N PRO A 43 61.309 -2.555 11.536 1.00 0.00 N ATOM 683 CA PRO A 43 61.115 -3.911 12.107 1.00 0.00 C ATOM 684 C PRO A 43 60.698 -4.896 11.010 1.00 0.00 C ATOM 685 O PRO A 43 60.348 -4.508 9.914 1.00 0.00 O ATOM 686 CB PRO A 43 59.986 -3.716 13.115 1.00 0.00 C ATOM 687 CG PRO A 43 59.233 -2.518 12.628 1.00 0.00 C ATOM 688 CD PRO A 43 60.217 -1.644 11.893 1.00 0.00 C ATOM 0 HA PRO A 43 62.019 -4.320 12.559 1.00 0.00 H new ATOM 0 HB2 PRO A 43 59.342 -4.594 13.161 1.00 0.00 H new ATOM 0 HB3 PRO A 43 60.377 -3.554 14.119 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.417 -2.817 11.970 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.787 -1.978 13.463 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.767 -1.195 11.007 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.570 -0.826 12.521 1.00 0.00 H new ATOM 696 N MET A 44 60.736 -6.168 11.298 1.00 0.00 N ATOM 697 CA MET A 44 60.343 -7.177 10.271 1.00 0.00 C ATOM 698 C MET A 44 58.826 -7.391 10.280 1.00 0.00 C ATOM 699 O MET A 44 58.192 -7.378 9.243 1.00 0.00 O ATOM 700 CB MET A 44 61.067 -8.460 10.683 1.00 0.00 C ATOM 701 CG MET A 44 62.084 -8.841 9.604 1.00 0.00 C ATOM 702 SD MET A 44 63.420 -9.809 10.351 1.00 0.00 S ATOM 703 CE MET A 44 62.396 -11.166 10.975 1.00 0.00 C ATOM 0 H MET A 44 61.022 -6.553 12.198 1.00 0.00 H new ATOM 0 HA MET A 44 60.608 -6.860 9.262 1.00 0.00 H new ATOM 0 HB2 MET A 44 61.571 -8.315 11.638 1.00 0.00 H new ATOM 0 HB3 MET A 44 60.348 -9.267 10.822 1.00 0.00 H new ATOM 0 HG2 MET A 44 61.597 -9.418 8.818 1.00 0.00 H new ATOM 0 HG3 MET A 44 62.488 -7.943 9.136 1.00 0.00 H new ATOM 0 HE1 MET A 44 63.027 -12.028 11.190 1.00 0.00 H new ATOM 0 HE2 MET A 44 61.890 -10.850 11.887 1.00 0.00 H new ATOM 0 HE3 MET A 44 61.654 -11.437 10.224 1.00 0.00 H new ATOM 713 N PRO A 45 58.293 -7.591 11.455 1.00 0.00 N ATOM 714 CA PRO A 45 56.839 -7.822 11.603 1.00 0.00 C ATOM 715 C PRO A 45 56.074 -6.496 11.578 1.00 0.00 C ATOM 716 O PRO A 45 56.465 -5.530 12.205 1.00 0.00 O ATOM 717 CB PRO A 45 56.724 -8.487 12.969 1.00 0.00 C ATOM 718 CG PRO A 45 57.931 -8.042 13.737 1.00 0.00 C ATOM 719 CD PRO A 45 58.991 -7.623 12.744 1.00 0.00 C ATOM 0 HA PRO A 45 56.419 -8.426 10.799 1.00 0.00 H new ATOM 0 HB2 PRO A 45 55.806 -8.188 13.474 1.00 0.00 H new ATOM 0 HB3 PRO A 45 56.697 -9.573 12.875 1.00 0.00 H new ATOM 0 HG2 PRO A 45 57.678 -7.212 14.396 1.00 0.00 H new ATOM 0 HG3 PRO A 45 58.299 -8.850 14.369 1.00 0.00 H new ATOM 0 HD2 PRO A 45 59.407 -6.647 12.995 1.00 0.00 H new ATOM 0 HD3 PRO A 45 59.822 -8.329 12.728 1.00 0.00 H new ATOM 727 N GLY A 46 54.983 -6.444 10.864 1.00 0.00 N ATOM 728 CA GLY A 46 54.188 -5.184 10.802 1.00 0.00 C ATOM 729 C GLY A 46 54.956 -4.125 10.010 1.00 0.00 C ATOM 730 O GLY A 46 54.703 -2.943 10.129 1.00 0.00 O ATOM 0 H GLY A 46 54.607 -7.221 10.320 1.00 0.00 H new ATOM 0 HA2 GLY A 46 53.223 -5.375 10.331 1.00 0.00 H new ATOM 0 HA3 GLY A 46 53.985 -4.821 11.810 1.00 0.00 H new ATOM 734 N SER A 47 55.893 -4.538 9.202 1.00 0.00 N ATOM 735 CA SER A 47 56.675 -3.552 8.404 1.00 0.00 C ATOM 736 C SER A 47 56.947 -4.108 7.003 1.00 0.00 C ATOM 737 O SER A 47 56.571 -5.217 6.682 1.00 0.00 O ATOM 738 CB SER A 47 57.981 -3.367 9.171 1.00 0.00 C ATOM 739 OG SER A 47 58.007 -2.067 9.745 1.00 0.00 O ATOM 0 H SER A 47 56.151 -5.515 9.060 1.00 0.00 H new ATOM 0 HA SER A 47 56.144 -2.609 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 47 58.069 -4.123 9.951 1.00 0.00 H new ATOM 0 HB3 SER A 47 58.831 -3.499 8.502 1.00 0.00 H new ATOM 0 HG SER A 47 57.248 -1.964 10.357 1.00 0.00 H new ATOM 745 N ARG A 48 57.595 -3.345 6.165 1.00 0.00 N ATOM 746 CA ARG A 48 57.883 -3.832 4.788 1.00 0.00 C ATOM 747 C ARG A 48 58.559 -2.729 3.971 1.00 0.00 C ATOM 748 O ARG A 48 58.224 -1.566 4.087 1.00 0.00 O ATOM 749 CB ARG A 48 56.516 -4.177 4.199 1.00 0.00 C ATOM 750 CG ARG A 48 56.348 -5.696 4.148 1.00 0.00 C ATOM 751 CD ARG A 48 55.763 -6.101 2.795 1.00 0.00 C ATOM 752 NE ARG A 48 54.641 -7.024 3.121 1.00 0.00 N ATOM 753 CZ ARG A 48 54.422 -8.073 2.376 1.00 0.00 C ATOM 754 NH1 ARG A 48 55.092 -9.173 2.585 1.00 0.00 N ATOM 755 NH2 ARG A 48 53.530 -8.022 1.424 1.00 0.00 N ATOM 0 H ARG A 48 57.936 -2.407 6.375 1.00 0.00 H new ATOM 0 HA ARG A 48 58.557 -4.689 4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 48 55.726 -3.734 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.424 -3.757 3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 48 57.311 -6.184 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 48 55.692 -6.027 4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 48 55.410 -5.231 2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 48 56.511 -6.593 2.173 1.00 0.00 H new ATOM 0 HE ARG A 48 54.044 -6.837 3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 48 55.787 -9.213 3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 48 54.921 -9.993 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 48 53.005 -7.163 1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 48 53.358 -8.842 0.841 1.00 0.00 H new ATOM 769 N LEU A 49 59.504 -3.083 3.146 1.00 0.00 N ATOM 770 CA LEU A 49 60.195 -2.050 2.323 1.00 0.00 C ATOM 771 C LEU A 49 59.784 -2.190 0.855 1.00 0.00 C ATOM 772 O LEU A 49 59.197 -3.176 0.456 1.00 0.00 O ATOM 773 CB LEU A 49 61.686 -2.335 2.495 1.00 0.00 C ATOM 774 CG LEU A 49 62.146 -1.826 3.861 1.00 0.00 C ATOM 775 CD1 LEU A 49 63.108 -2.836 4.486 1.00 0.00 C ATOM 776 CD2 LEU A 49 62.859 -0.482 3.690 1.00 0.00 C ATOM 0 H LEU A 49 59.828 -4.040 3.006 1.00 0.00 H new ATOM 0 HA LEU A 49 59.940 -1.036 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 49 61.875 -3.405 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.254 -1.848 1.703 1.00 0.00 H new ATOM 0 HG LEU A 49 61.280 -1.700 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 49 63.435 -2.472 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.602 -3.794 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.974 -2.964 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.188 -0.118 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.724 -0.609 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.174 0.239 3.245 1.00 0.00 H new ATOM 788 N CYS A 50 60.085 -1.210 0.049 1.00 0.00 N ATOM 789 CA CYS A 50 59.706 -1.291 -1.389 1.00 0.00 C ATOM 790 C CYS A 50 60.707 -0.517 -2.249 1.00 0.00 C ATOM 791 O CYS A 50 61.539 0.215 -1.750 1.00 0.00 O ATOM 792 CB CYS A 50 58.322 -0.649 -1.468 1.00 0.00 C ATOM 793 SG CYS A 50 57.095 -1.775 -0.760 1.00 0.00 S ATOM 0 H CYS A 50 60.576 -0.359 0.323 1.00 0.00 H new ATOM 0 HA CYS A 50 59.703 -2.317 -1.757 1.00 0.00 H new ATOM 0 HB2 CYS A 50 58.317 0.298 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 50 58.071 -0.426 -2.505 1.00 0.00 H new ATOM 0 HG CYS A 50 57.699 -2.795 -0.227 1.00 0.00 H new ATOM 799 N LEU A 51 60.630 -0.677 -3.541 1.00 0.00 N ATOM 800 CA LEU A 51 61.570 0.041 -4.446 1.00 0.00 C ATOM 801 C LEU A 51 60.900 1.292 -5.017 1.00 0.00 C ATOM 802 O LEU A 51 59.803 1.237 -5.539 1.00 0.00 O ATOM 803 CB LEU A 51 61.872 -0.959 -5.555 1.00 0.00 C ATOM 804 CG LEU A 51 63.370 -1.248 -5.578 1.00 0.00 C ATOM 805 CD1 LEU A 51 63.613 -2.723 -5.252 1.00 0.00 C ATOM 806 CD2 LEU A 51 63.915 -0.936 -6.967 1.00 0.00 C ATOM 0 H LEU A 51 59.953 -1.278 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 51 62.473 0.374 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.314 -1.881 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 51 61.552 -0.560 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 51 63.875 -0.629 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 51 64.683 -2.928 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 51 63.216 -2.947 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 51 63.113 -3.347 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 51 64.985 -1.140 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.410 -1.559 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 51 63.740 0.115 -7.199 1.00 0.00 H new ATOM 818 N TYR A 52 61.549 2.420 -4.923 1.00 0.00 N ATOM 819 CA TYR A 52 60.943 3.672 -5.461 1.00 0.00 C ATOM 820 C TYR A 52 61.146 3.751 -6.977 1.00 0.00 C ATOM 821 O TYR A 52 60.598 4.608 -7.641 1.00 0.00 O ATOM 822 CB TYR A 52 61.692 4.806 -4.759 1.00 0.00 C ATOM 823 CG TYR A 52 61.119 6.133 -5.198 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.735 6.338 -5.178 1.00 0.00 C ATOM 825 CD2 TYR A 52 61.973 7.158 -5.625 1.00 0.00 C ATOM 826 CE1 TYR A 52 59.203 7.568 -5.582 1.00 0.00 C ATOM 827 CE2 TYR A 52 61.440 8.388 -6.030 1.00 0.00 C ATOM 828 CZ TYR A 52 60.056 8.593 -6.008 1.00 0.00 C ATOM 829 OH TYR A 52 59.531 9.805 -6.407 1.00 0.00 O ATOM 0 H TYR A 52 62.470 2.529 -4.498 1.00 0.00 H new ATOM 0 HA TYR A 52 59.869 3.721 -5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.605 4.700 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.754 4.759 -4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 52 59.077 5.547 -4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 52 63.041 7.000 -5.642 1.00 0.00 H new ATOM 0 HE1 TYR A 52 58.135 7.726 -5.565 1.00 0.00 H new ATOM 0 HE2 TYR A 52 62.098 9.179 -6.360 1.00 0.00 H new ATOM 0 HH TYR A 52 60.259 10.406 -6.671 1.00 0.00 H new ATOM 839 N GLU A 53 61.929 2.864 -7.530 1.00 0.00 N ATOM 840 CA GLU A 53 62.164 2.893 -9.002 1.00 0.00 C ATOM 841 C GLU A 53 60.838 2.763 -9.757 1.00 0.00 C ATOM 842 O GLU A 53 60.553 3.520 -10.664 1.00 0.00 O ATOM 843 CB GLU A 53 63.063 1.691 -9.287 1.00 0.00 C ATOM 844 CG GLU A 53 63.942 1.987 -10.503 1.00 0.00 C ATOM 845 CD GLU A 53 65.214 1.140 -10.432 1.00 0.00 C ATOM 846 OE1 GLU A 53 65.130 -0.044 -10.710 1.00 0.00 O ATOM 847 OE2 GLU A 53 66.251 1.692 -10.100 1.00 0.00 O ATOM 0 H GLU A 53 62.415 2.122 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 53 62.621 3.828 -9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.686 1.476 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.456 0.805 -9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 53 63.397 1.767 -11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 53 64.199 3.046 -10.530 1.00 0.00 H new ATOM 854 N ASP A 54 60.026 1.808 -9.393 1.00 0.00 N ATOM 855 CA ASP A 54 58.722 1.635 -10.098 1.00 0.00 C ATOM 856 C ASP A 54 57.645 1.148 -9.122 1.00 0.00 C ATOM 857 O ASP A 54 56.564 0.764 -9.520 1.00 0.00 O ATOM 858 CB ASP A 54 58.989 0.582 -11.173 1.00 0.00 C ATOM 859 CG ASP A 54 58.357 1.027 -12.493 1.00 0.00 C ATOM 860 OD1 ASP A 54 58.913 1.909 -13.126 1.00 0.00 O ATOM 861 OD2 ASP A 54 57.326 0.478 -12.848 1.00 0.00 O ATOM 0 H ASP A 54 60.207 1.142 -8.642 1.00 0.00 H new ATOM 0 HA ASP A 54 58.359 2.570 -10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 54 60.062 0.442 -11.301 1.00 0.00 H new ATOM 0 HB3 ASP A 54 58.576 -0.379 -10.866 1.00 0.00 H new ATOM 866 N GLY A 55 57.928 1.168 -7.849 1.00 0.00 N ATOM 867 CA GLY A 55 56.913 0.713 -6.856 1.00 0.00 C ATOM 868 C GLY A 55 57.038 -0.797 -6.637 1.00 0.00 C ATOM 869 O GLY A 55 56.057 -1.514 -6.623 1.00 0.00 O ATOM 0 H GLY A 55 58.815 1.479 -7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 55 57.054 1.239 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.911 0.956 -7.210 1.00 0.00 H new ATOM 873 N THR A 56 58.234 -1.286 -6.455 1.00 0.00 N ATOM 874 CA THR A 56 58.412 -2.750 -6.227 1.00 0.00 C ATOM 875 C THR A 56 58.346 -3.051 -4.726 1.00 0.00 C ATOM 876 O THR A 56 58.313 -2.154 -3.909 1.00 0.00 O ATOM 877 CB THR A 56 59.795 -3.083 -6.789 1.00 0.00 C ATOM 878 OG1 THR A 56 60.322 -1.951 -7.467 1.00 0.00 O ATOM 879 CG2 THR A 56 59.681 -4.257 -7.761 1.00 0.00 C ATOM 0 H THR A 56 59.094 -0.738 -6.454 1.00 0.00 H new ATOM 0 HA THR A 56 57.635 -3.344 -6.708 1.00 0.00 H new ATOM 0 HB THR A 56 60.462 -3.353 -5.971 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.209 -2.167 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.666 -4.495 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.283 -5.126 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 56 59.012 -3.989 -8.579 1.00 0.00 H new ATOM 887 N GLU A 57 58.321 -4.302 -4.354 1.00 0.00 N ATOM 888 CA GLU A 57 58.251 -4.642 -2.903 1.00 0.00 C ATOM 889 C GLU A 57 59.489 -5.436 -2.481 1.00 0.00 C ATOM 890 O GLU A 57 59.850 -6.419 -3.097 1.00 0.00 O ATOM 891 CB GLU A 57 56.990 -5.493 -2.752 1.00 0.00 C ATOM 892 CG GLU A 57 56.959 -6.562 -3.846 1.00 0.00 C ATOM 893 CD GLU A 57 56.334 -7.844 -3.292 1.00 0.00 C ATOM 894 OE1 GLU A 57 55.458 -7.736 -2.450 1.00 0.00 O ATOM 895 OE2 GLU A 57 56.743 -8.911 -3.719 1.00 0.00 O ATOM 0 H GLU A 57 58.346 -5.100 -4.988 1.00 0.00 H new ATOM 0 HA GLU A 57 58.218 -3.752 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.972 -5.964 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.103 -4.863 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.385 -6.205 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.970 -6.762 -4.202 1.00 0.00 H new ATOM 902 N VAL A 58 60.143 -5.015 -1.432 1.00 0.00 N ATOM 903 CA VAL A 58 61.359 -5.744 -0.965 1.00 0.00 C ATOM 904 C VAL A 58 61.549 -5.543 0.540 1.00 0.00 C ATOM 905 O VAL A 58 60.813 -4.817 1.178 1.00 0.00 O ATOM 906 CB VAL A 58 62.515 -5.114 -1.740 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.792 -5.918 -1.496 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.189 -5.119 -3.234 1.00 0.00 C ATOM 0 H VAL A 58 59.888 -4.198 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 58 61.290 -6.818 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 58 62.662 -4.088 -1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.616 -5.468 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 58 64.025 -5.916 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.646 -6.944 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.013 -4.670 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.042 -6.145 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.279 -4.546 -3.410 1.00 0.00 H new ATOM 918 N THR A 59 62.531 -6.184 1.116 1.00 0.00 N ATOM 919 CA THR A 59 62.764 -6.031 2.582 1.00 0.00 C ATOM 920 C THR A 59 64.215 -5.615 2.847 1.00 0.00 C ATOM 921 O THR A 59 65.034 -5.581 1.950 1.00 0.00 O ATOM 922 CB THR A 59 62.487 -7.413 3.181 1.00 0.00 C ATOM 923 OG1 THR A 59 63.611 -8.255 2.962 1.00 0.00 O ATOM 924 CG2 THR A 59 61.251 -8.028 2.521 1.00 0.00 C ATOM 0 H THR A 59 63.181 -6.806 0.636 1.00 0.00 H new ATOM 0 HA THR A 59 62.126 -5.263 3.020 1.00 0.00 H new ATOM 0 HB THR A 59 62.307 -7.312 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 59 63.437 -9.140 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 59 61.060 -9.011 2.952 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.389 -7.383 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.423 -8.129 1.449 1.00 0.00 H new ATOM 932 N ASP A 60 64.538 -5.295 4.072 1.00 0.00 N ATOM 933 CA ASP A 60 65.929 -4.880 4.392 1.00 0.00 C ATOM 934 C ASP A 60 66.825 -6.110 4.569 1.00 0.00 C ATOM 935 O ASP A 60 68.021 -5.996 4.758 1.00 0.00 O ATOM 936 CB ASP A 60 65.821 -4.099 5.702 1.00 0.00 C ATOM 937 CG ASP A 60 65.304 -5.021 6.808 1.00 0.00 C ATOM 938 OD1 ASP A 60 64.349 -5.738 6.556 1.00 0.00 O ATOM 939 OD2 ASP A 60 65.872 -4.996 7.887 1.00 0.00 O ATOM 0 H ASP A 60 63.895 -5.304 4.864 1.00 0.00 H new ATOM 0 HA ASP A 60 66.372 -4.280 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.795 -3.695 5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 60 65.148 -3.251 5.577 1.00 0.00 H new ATOM 944 N ASP A 61 66.259 -7.284 4.510 1.00 0.00 N ATOM 945 CA ASP A 61 67.082 -8.516 4.675 1.00 0.00 C ATOM 946 C ASP A 61 67.109 -9.311 3.366 1.00 0.00 C ATOM 947 O ASP A 61 67.713 -10.362 3.280 1.00 0.00 O ATOM 948 CB ASP A 61 66.385 -9.316 5.776 1.00 0.00 C ATOM 949 CG ASP A 61 67.435 -9.994 6.659 1.00 0.00 C ATOM 950 OD1 ASP A 61 68.181 -10.808 6.140 1.00 0.00 O ATOM 951 OD2 ASP A 61 67.475 -9.687 7.839 1.00 0.00 O ATOM 0 H ASP A 61 65.264 -7.444 4.355 1.00 0.00 H new ATOM 0 HA ASP A 61 68.117 -8.290 4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.759 -8.657 6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 61 65.727 -10.065 5.335 1.00 0.00 H new ATOM 956 N CYS A 62 66.461 -8.818 2.346 1.00 0.00 N ATOM 957 CA CYS A 62 66.452 -9.547 1.045 1.00 0.00 C ATOM 958 C CYS A 62 67.329 -8.820 0.023 1.00 0.00 C ATOM 959 O CYS A 62 68.049 -9.435 -0.739 1.00 0.00 O ATOM 960 CB CYS A 62 64.990 -9.545 0.597 1.00 0.00 C ATOM 961 SG CYS A 62 64.665 -11.013 -0.409 1.00 0.00 S ATOM 0 H CYS A 62 65.938 -7.943 2.357 1.00 0.00 H new ATOM 0 HA CYS A 62 66.847 -10.559 1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.332 -9.534 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.776 -8.643 0.023 1.00 0.00 H new ATOM 0 HG CYS A 62 63.421 -11.013 -0.788 1.00 0.00 H new ATOM 967 N PHE A 63 67.280 -7.513 0.002 1.00 0.00 N ATOM 968 CA PHE A 63 68.117 -6.750 -0.970 1.00 0.00 C ATOM 969 C PHE A 63 69.519 -7.358 -1.045 1.00 0.00 C ATOM 970 O PHE A 63 70.339 -7.140 -0.176 1.00 0.00 O ATOM 971 CB PHE A 63 68.170 -5.328 -0.412 1.00 0.00 C ATOM 972 CG PHE A 63 66.970 -4.555 -0.902 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.612 -4.607 -2.253 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.211 -3.794 -0.004 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.495 -3.896 -2.710 1.00 0.00 C ATOM 976 CE2 PHE A 63 65.095 -3.082 -0.461 1.00 0.00 C ATOM 977 CZ PHE A 63 64.737 -3.135 -1.814 1.00 0.00 C ATOM 0 H PHE A 63 66.698 -6.942 0.615 1.00 0.00 H new ATOM 0 HA PHE A 63 67.709 -6.773 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.181 -5.353 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.089 -4.835 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.197 -5.196 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.486 -3.756 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 63 65.219 -3.935 -3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.511 -2.492 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.875 -2.588 -2.166 1.00 0.00 H new ATOM 987 N PRO A 64 69.740 -8.116 -2.086 1.00 0.00 N ATOM 988 CA PRO A 64 71.051 -8.782 -2.282 1.00 0.00 C ATOM 989 C PRO A 64 72.129 -7.769 -2.682 1.00 0.00 C ATOM 990 O PRO A 64 73.087 -7.557 -1.965 1.00 0.00 O ATOM 991 CB PRO A 64 70.784 -9.772 -3.412 1.00 0.00 C ATOM 992 CG PRO A 64 69.615 -9.209 -4.158 1.00 0.00 C ATOM 993 CD PRO A 64 68.797 -8.418 -3.169 1.00 0.00 C ATOM 0 HA PRO A 64 71.421 -9.262 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.654 -9.873 -4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.561 -10.765 -3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.951 -8.572 -4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 64 69.019 -10.008 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.400 -7.507 -3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.944 -8.993 -2.807 1.00 0.00 H new ATOM 1001 N GLY A 65 71.989 -7.145 -3.818 1.00 0.00 N ATOM 1002 CA GLY A 65 73.014 -6.154 -4.251 1.00 0.00 C ATOM 1003 C GLY A 65 72.392 -5.155 -5.226 1.00 0.00 C ATOM 1004 O GLY A 65 72.789 -5.058 -6.370 1.00 0.00 O ATOM 0 H GLY A 65 71.211 -7.278 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.414 -5.628 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.850 -6.667 -4.726 1.00 0.00 H new ATOM 1008 N LEU A 66 71.421 -4.405 -4.782 1.00 0.00 N ATOM 1009 CA LEU A 66 70.779 -3.406 -5.683 1.00 0.00 C ATOM 1010 C LEU A 66 71.847 -2.639 -6.461 1.00 0.00 C ATOM 1011 O LEU A 66 73.011 -2.666 -6.115 1.00 0.00 O ATOM 1012 CB LEU A 66 70.017 -2.468 -4.748 1.00 0.00 C ATOM 1013 CG LEU A 66 68.821 -3.209 -4.151 1.00 0.00 C ATOM 1014 CD1 LEU A 66 68.341 -2.482 -2.894 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.689 -3.256 -5.179 1.00 0.00 C ATOM 0 H LEU A 66 71.044 -4.441 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 66 70.122 -3.870 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.674 -2.116 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 66 69.678 -1.588 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 66 69.117 -4.224 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 66 67.488 -3.012 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.148 -2.449 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.044 -1.466 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 66 66.835 -3.784 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.394 -2.240 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.031 -3.777 -6.073 1.00 0.00 H new ATOM 1027 N PRO A 67 71.406 -1.977 -7.491 1.00 0.00 N ATOM 1028 CA PRO A 67 72.327 -1.184 -8.341 1.00 0.00 C ATOM 1029 C PRO A 67 72.835 0.039 -7.573 1.00 0.00 C ATOM 1030 O PRO A 67 72.662 0.145 -6.376 1.00 0.00 O ATOM 1031 CB PRO A 67 71.451 -0.772 -9.524 1.00 0.00 C ATOM 1032 CG PRO A 67 70.053 -0.819 -8.999 1.00 0.00 C ATOM 1033 CD PRO A 67 70.019 -1.902 -7.957 1.00 0.00 C ATOM 0 HA PRO A 67 73.216 -1.734 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.707 0.227 -9.877 1.00 0.00 H new ATOM 0 HB3 PRO A 67 71.580 -1.451 -10.367 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.769 0.141 -8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 67 69.345 -1.031 -9.801 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.336 -1.655 -7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.685 -2.851 -8.376 1.00 0.00 H new ATOM 1041 N ASN A 68 73.468 0.959 -8.248 1.00 0.00 N ATOM 1042 CA ASN A 68 73.991 2.164 -7.544 1.00 0.00 C ATOM 1043 C ASN A 68 72.839 3.045 -7.059 1.00 0.00 C ATOM 1044 O ASN A 68 71.764 3.054 -7.627 1.00 0.00 O ATOM 1045 CB ASN A 68 74.832 2.905 -8.585 1.00 0.00 C ATOM 1046 CG ASN A 68 75.737 3.918 -7.881 1.00 0.00 C ATOM 1047 OD1 ASN A 68 76.051 3.763 -6.717 1.00 0.00 O ATOM 1048 ND2 ASN A 68 76.174 4.956 -8.540 1.00 0.00 N ATOM 0 H ASN A 68 73.645 0.929 -9.252 1.00 0.00 H new ATOM 0 HA ASN A 68 74.575 1.898 -6.663 1.00 0.00 H new ATOM 0 HB2 ASN A 68 75.434 2.196 -9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 68 74.183 3.414 -9.297 1.00 0.00 H new ATOM 0 HD21 ASN A 68 76.778 5.636 -8.078 1.00 0.00 H new ATOM 0 HD22 ASN A 68 75.911 5.087 -9.517 1.00 0.00 H new ATOM 1055 N ASP A 69 73.059 3.783 -6.008 1.00 0.00 N ATOM 1056 CA ASP A 69 71.987 4.665 -5.472 1.00 0.00 C ATOM 1057 C ASP A 69 70.656 3.916 -5.442 1.00 0.00 C ATOM 1058 O ASP A 69 69.608 4.477 -5.692 1.00 0.00 O ATOM 1059 CB ASP A 69 71.922 5.851 -6.435 1.00 0.00 C ATOM 1060 CG ASP A 69 72.916 6.925 -5.988 1.00 0.00 C ATOM 1061 OD1 ASP A 69 74.033 6.567 -5.653 1.00 0.00 O ATOM 1062 OD2 ASP A 69 72.542 8.087 -5.988 1.00 0.00 O ATOM 0 H ASP A 69 73.940 3.813 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 69 72.191 4.988 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 69 72.155 5.524 -7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 69 70.912 6.261 -6.457 1.00 0.00 H new ATOM 1067 N ALA A 70 70.692 2.654 -5.128 1.00 0.00 N ATOM 1068 CA ALA A 70 69.426 1.869 -5.071 1.00 0.00 C ATOM 1069 C ALA A 70 68.386 2.635 -4.246 1.00 0.00 C ATOM 1070 O ALA A 70 68.477 2.718 -3.037 1.00 0.00 O ATOM 1071 CB ALA A 70 69.797 0.551 -4.386 1.00 0.00 C ATOM 0 H ALA A 70 71.540 2.131 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 70 68.996 1.697 -6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 70 68.912 -0.081 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.559 0.038 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.185 0.756 -3.388 1.00 0.00 H new ATOM 1077 N GLU A 71 67.408 3.209 -4.892 1.00 0.00 N ATOM 1078 CA GLU A 71 66.374 3.982 -4.144 1.00 0.00 C ATOM 1079 C GLU A 71 65.439 3.042 -3.379 1.00 0.00 C ATOM 1080 O GLU A 71 64.583 2.400 -3.952 1.00 0.00 O ATOM 1081 CB GLU A 71 65.598 4.747 -5.217 1.00 0.00 C ATOM 1082 CG GLU A 71 66.577 5.520 -6.103 1.00 0.00 C ATOM 1083 CD GLU A 71 65.806 6.527 -6.960 1.00 0.00 C ATOM 1084 OE1 GLU A 71 65.153 6.099 -7.897 1.00 0.00 O ATOM 1085 OE2 GLU A 71 65.883 7.708 -6.665 1.00 0.00 O ATOM 0 H GLU A 71 67.280 3.177 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 71 66.821 4.646 -3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.014 4.054 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.893 5.435 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 71 67.311 6.038 -5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 71 67.128 4.830 -6.742 1.00 0.00 H new ATOM 1092 N LEU A 72 65.590 2.967 -2.085 1.00 0.00 N ATOM 1093 CA LEU A 72 64.701 2.082 -1.279 1.00 0.00 C ATOM 1094 C LEU A 72 63.616 2.924 -0.607 1.00 0.00 C ATOM 1095 O LEU A 72 63.671 4.137 -0.617 1.00 0.00 O ATOM 1096 CB LEU A 72 65.615 1.445 -0.232 1.00 0.00 C ATOM 1097 CG LEU A 72 65.892 -0.008 -0.617 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.433 -0.062 -2.048 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.926 -0.600 0.342 1.00 0.00 C ATOM 0 H LEU A 72 66.291 3.480 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 72 64.199 1.328 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.551 2.000 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 72 65.146 1.489 0.751 1.00 0.00 H new ATOM 0 HG LEU A 72 64.968 -0.583 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.631 -1.098 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.697 0.361 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 72 67.357 0.513 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.124 -1.636 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.850 -0.025 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.541 -0.561 1.361 1.00 0.00 H new ATOM 1111 N LEU A 73 62.628 2.303 -0.025 1.00 0.00 N ATOM 1112 CA LEU A 73 61.550 3.093 0.635 1.00 0.00 C ATOM 1113 C LEU A 73 61.070 2.401 1.914 1.00 0.00 C ATOM 1114 O LEU A 73 60.880 1.202 1.952 1.00 0.00 O ATOM 1115 CB LEU A 73 60.425 3.162 -0.396 1.00 0.00 C ATOM 1116 CG LEU A 73 59.321 4.088 0.118 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.470 5.467 -0.525 1.00 0.00 C ATOM 1118 CD2 LEU A 73 57.955 3.500 -0.243 1.00 0.00 C ATOM 0 H LEU A 73 62.520 1.290 0.023 1.00 0.00 H new ATOM 0 HA LEU A 73 61.895 4.083 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.810 3.530 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 73 60.023 2.166 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 73 59.401 4.183 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.683 6.126 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.443 5.885 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.390 5.374 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.167 4.159 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.875 3.404 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 73 57.849 2.517 0.217 1.00 0.00 H new ATOM 1130 N LEU A 74 60.863 3.157 2.961 1.00 0.00 N ATOM 1131 CA LEU A 74 60.385 2.554 4.238 1.00 0.00 C ATOM 1132 C LEU A 74 58.858 2.447 4.218 1.00 0.00 C ATOM 1133 O LEU A 74 58.166 3.399 3.915 1.00 0.00 O ATOM 1134 CB LEU A 74 60.840 3.525 5.329 1.00 0.00 C ATOM 1135 CG LEU A 74 61.159 2.749 6.608 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.208 1.677 6.309 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.704 3.714 7.665 1.00 0.00 C ATOM 0 H LEU A 74 61.005 4.167 2.985 1.00 0.00 H new ATOM 0 HA LEU A 74 60.778 1.550 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 74 61.720 4.075 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.060 4.261 5.523 1.00 0.00 H new ATOM 0 HG LEU A 74 60.251 2.274 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.434 1.125 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 74 61.822 0.990 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.116 2.151 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.932 3.163 8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.611 4.188 7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.957 4.478 7.880 1.00 0.00 H new ATOM 1149 N LEU A 75 58.322 1.300 4.532 1.00 0.00 N ATOM 1150 CA LEU A 75 56.841 1.149 4.519 1.00 0.00 C ATOM 1151 C LEU A 75 56.407 0.176 5.615 1.00 0.00 C ATOM 1152 O LEU A 75 57.182 -0.634 6.078 1.00 0.00 O ATOM 1153 CB LEU A 75 56.520 0.589 3.132 1.00 0.00 C ATOM 1154 CG LEU A 75 55.121 -0.031 3.129 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.496 0.129 1.742 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.222 -1.518 3.470 1.00 0.00 C ATOM 0 H LEU A 75 58.844 0.464 4.796 1.00 0.00 H new ATOM 0 HA LEU A 75 56.319 2.087 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.576 1.384 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.260 -0.161 2.854 1.00 0.00 H new ATOM 0 HG LEU A 75 54.500 0.472 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.499 -0.312 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.425 1.188 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.118 -0.375 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.226 -1.960 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 75 55.843 -2.020 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.669 -1.635 4.457 1.00 0.00 H new ATOM 1168 N THR A 76 55.175 0.251 6.038 1.00 0.00 N ATOM 1169 CA THR A 76 54.697 -0.674 7.106 1.00 0.00 C ATOM 1170 C THR A 76 53.199 -0.928 6.936 1.00 0.00 C ATOM 1171 O THR A 76 52.540 -0.290 6.140 1.00 0.00 O ATOM 1172 CB THR A 76 54.973 0.052 8.426 1.00 0.00 C ATOM 1173 OG1 THR A 76 53.951 1.011 8.660 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.331 0.757 8.362 1.00 0.00 C ATOM 0 H THR A 76 54.479 0.911 5.691 1.00 0.00 H new ATOM 0 HA THR A 76 55.197 -1.642 7.070 1.00 0.00 H new ATOM 0 HB THR A 76 54.987 -0.675 9.238 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.125 1.475 9.505 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.519 1.271 9.305 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.115 0.021 8.187 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.326 1.482 7.548 1.00 0.00 H new ATOM 1182 N ALA A 77 52.652 -1.852 7.675 1.00 0.00 N ATOM 1183 CA ALA A 77 51.194 -2.136 7.547 1.00 0.00 C ATOM 1184 C ALA A 77 50.401 -0.829 7.573 1.00 0.00 C ATOM 1185 O ALA A 77 49.346 -0.719 6.980 1.00 0.00 O ATOM 1186 CB ALA A 77 50.849 -3.001 8.758 1.00 0.00 C ATOM 0 H ALA A 77 53.149 -2.422 8.360 1.00 0.00 H new ATOM 0 HA ALA A 77 50.950 -2.637 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 77 49.789 -3.253 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.440 -3.917 8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.072 -2.452 9.673 1.00 0.00 H new ATOM 1192 N GLY A 78 50.899 0.165 8.254 1.00 0.00 N ATOM 1193 CA GLY A 78 50.173 1.464 8.314 1.00 0.00 C ATOM 1194 C GLY A 78 50.617 2.349 7.149 1.00 0.00 C ATOM 1195 O GLY A 78 50.373 3.539 7.136 1.00 0.00 O ATOM 0 H GLY A 78 51.777 0.134 8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.097 1.294 8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.376 1.963 9.262 1.00 0.00 H new ATOM 1199 N GLU A 79 51.268 1.780 6.171 1.00 0.00 N ATOM 1200 CA GLU A 79 51.727 2.598 5.013 1.00 0.00 C ATOM 1201 C GLU A 79 51.714 1.764 3.729 1.00 0.00 C ATOM 1202 O GLU A 79 51.727 0.549 3.764 1.00 0.00 O ATOM 1203 CB GLU A 79 53.154 3.015 5.368 1.00 0.00 C ATOM 1204 CG GLU A 79 53.200 4.529 5.571 1.00 0.00 C ATOM 1205 CD GLU A 79 54.257 4.876 6.620 1.00 0.00 C ATOM 1206 OE1 GLU A 79 55.235 4.153 6.709 1.00 0.00 O ATOM 1207 OE2 GLU A 79 54.071 5.860 7.318 1.00 0.00 O ATOM 0 H GLU A 79 51.501 0.788 6.124 1.00 0.00 H new ATOM 0 HA GLU A 79 51.081 3.457 4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.480 2.505 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.840 2.722 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 79 53.432 5.025 4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 79 52.223 4.893 5.891 1.00 0.00 H new ATOM 1214 N THR A 80 51.690 2.410 2.593 1.00 0.00 N ATOM 1215 CA THR A 80 51.679 1.659 1.303 1.00 0.00 C ATOM 1216 C THR A 80 52.193 2.550 0.169 1.00 0.00 C ATOM 1217 O THR A 80 51.881 3.722 0.098 1.00 0.00 O ATOM 1218 CB THR A 80 50.215 1.283 1.064 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.411 1.788 2.122 1.00 0.00 O ATOM 1220 CG2 THR A 80 50.083 -0.239 0.999 1.00 0.00 C ATOM 0 H THR A 80 51.678 3.426 2.503 1.00 0.00 H new ATOM 0 HA THR A 80 52.322 0.779 1.337 1.00 0.00 H new ATOM 0 HB THR A 80 49.880 1.716 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.474 1.547 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 80 49.040 -0.507 0.829 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.694 -0.623 0.182 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.420 -0.674 1.940 1.00 0.00 H new ATOM 1228 N TRP A 81 52.978 2.005 -0.720 1.00 0.00 N ATOM 1229 CA TRP A 81 53.508 2.827 -1.848 1.00 0.00 C ATOM 1230 C TRP A 81 52.893 2.373 -3.174 1.00 0.00 C ATOM 1231 O TRP A 81 52.826 1.196 -3.468 1.00 0.00 O ATOM 1232 CB TRP A 81 55.016 2.581 -1.851 1.00 0.00 C ATOM 1233 CG TRP A 81 55.607 3.137 -3.108 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.533 2.515 -3.874 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.327 4.412 -3.756 1.00 0.00 C ATOM 1236 NE1 TRP A 81 56.839 3.329 -4.951 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.122 4.509 -4.923 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.469 5.482 -3.448 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.068 5.628 -5.754 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.412 6.611 -4.282 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.211 6.683 -5.433 1.00 0.00 C ATOM 0 H TRP A 81 53.275 1.029 -0.715 1.00 0.00 H new ATOM 0 HA TRP A 81 53.267 3.883 -1.730 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.474 3.052 -0.981 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.222 1.513 -1.781 1.00 0.00 H new ATOM 0 HD1 TRP A 81 56.962 1.544 -3.677 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.513 3.087 -5.678 1.00 0.00 H new ATOM 0 HE3 TRP A 81 53.850 5.436 -2.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 56.685 5.678 -6.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 53.750 7.428 -4.036 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.163 7.554 -6.070 1.00 0.00 H new ATOM 1252 N HIS A 82 52.448 3.298 -3.979 1.00 0.00 N ATOM 1253 CA HIS A 82 51.842 2.920 -5.287 1.00 0.00 C ATOM 1254 C HIS A 82 52.941 2.558 -6.290 1.00 0.00 C ATOM 1255 O HIS A 82 52.986 1.457 -6.803 1.00 0.00 O ATOM 1256 CB HIS A 82 51.083 4.164 -5.746 1.00 0.00 C ATOM 1257 CG HIS A 82 50.014 3.764 -6.724 1.00 0.00 C ATOM 1258 ND1 HIS A 82 49.288 2.590 -6.586 1.00 0.00 N ATOM 1259 CD2 HIS A 82 49.536 4.368 -7.860 1.00 0.00 C ATOM 1260 CE1 HIS A 82 48.423 2.526 -7.614 1.00 0.00 C ATOM 1261 NE2 HIS A 82 48.532 3.585 -8.421 1.00 0.00 N ATOM 0 H HIS A 82 52.478 4.299 -3.788 1.00 0.00 H new ATOM 0 HA HIS A 82 51.187 2.052 -5.206 1.00 0.00 H new ATOM 0 HB2 HIS A 82 50.637 4.668 -4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 82 51.770 4.872 -6.210 1.00 0.00 H new ATOM 0 HD2 HIS A 82 49.886 5.309 -8.258 1.00 0.00 H new ATOM 0 HE1 HIS A 82 47.725 1.717 -7.768 1.00 0.00 H new ATOM 0 HE2 HIS A 82 47.995 3.778 -9.266 1.00 0.00 H new ATOM 1269 N GLY A 83 53.827 3.473 -6.574 1.00 0.00 N ATOM 1270 CA GLY A 83 54.922 3.177 -7.543 1.00 0.00 C ATOM 1271 C GLY A 83 55.184 4.404 -8.417 1.00 0.00 C ATOM 1272 O GLY A 83 54.376 5.308 -8.494 1.00 0.00 O ATOM 0 H GLY A 83 53.841 4.413 -6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.830 2.900 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.648 2.326 -8.167 1.00 0.00 H new ATOM 1276 N TYR A 84 56.309 4.443 -9.079 1.00 0.00 N ATOM 1277 CA TYR A 84 56.621 5.613 -9.951 1.00 0.00 C ATOM 1278 C TYR A 84 55.922 5.460 -11.306 1.00 0.00 C ATOM 1279 O TYR A 84 56.471 4.908 -12.238 1.00 0.00 O ATOM 1280 CB TYR A 84 58.141 5.585 -10.127 1.00 0.00 C ATOM 1281 CG TYR A 84 58.581 6.813 -10.888 1.00 0.00 C ATOM 1282 CD1 TYR A 84 58.026 8.061 -10.582 1.00 0.00 C ATOM 1283 CD2 TYR A 84 59.543 6.703 -11.899 1.00 0.00 C ATOM 1284 CE1 TYR A 84 58.432 9.200 -11.287 1.00 0.00 C ATOM 1285 CE2 TYR A 84 59.949 7.842 -12.605 1.00 0.00 C ATOM 1286 CZ TYR A 84 59.394 9.091 -12.299 1.00 0.00 C ATOM 1287 OH TYR A 84 59.794 10.214 -12.993 1.00 0.00 O ATOM 0 H TYR A 84 57.025 3.717 -9.054 1.00 0.00 H new ATOM 0 HA TYR A 84 56.279 6.553 -9.519 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.630 5.552 -9.154 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.439 4.685 -10.664 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.284 8.145 -9.802 1.00 0.00 H new ATOM 0 HD2 TYR A 84 59.972 5.740 -12.134 1.00 0.00 H new ATOM 0 HE1 TYR A 84 58.003 10.163 -11.051 1.00 0.00 H new ATOM 0 HE2 TYR A 84 60.690 7.757 -13.386 1.00 0.00 H new ATOM 0 HH TYR A 84 60.468 9.964 -13.659 1.00 0.00 H new ATOM 1297 N VAL A 85 54.713 5.937 -11.415 1.00 0.00 N ATOM 1298 CA VAL A 85 53.974 5.815 -12.701 1.00 0.00 C ATOM 1299 C VAL A 85 54.133 7.089 -13.536 1.00 0.00 C ATOM 1300 O VAL A 85 54.927 7.953 -13.224 1.00 0.00 O ATOM 1301 CB VAL A 85 52.518 5.627 -12.283 1.00 0.00 C ATOM 1302 CG1 VAL A 85 52.427 4.502 -11.252 1.00 0.00 C ATOM 1303 CG2 VAL A 85 51.996 6.927 -11.666 1.00 0.00 C ATOM 0 H VAL A 85 54.204 6.407 -10.666 1.00 0.00 H new ATOM 0 HA VAL A 85 54.341 4.994 -13.317 1.00 0.00 H new ATOM 0 HB VAL A 85 51.917 5.370 -13.156 1.00 0.00 H new ATOM 0 HG11 VAL A 85 51.388 4.366 -10.952 1.00 0.00 H new ATOM 0 HG12 VAL A 85 52.802 3.577 -11.689 1.00 0.00 H new ATOM 0 HG13 VAL A 85 53.026 4.760 -10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 85 50.956 6.796 -11.366 1.00 0.00 H new ATOM 0 HG22 VAL A 85 52.596 7.182 -10.792 1.00 0.00 H new ATOM 0 HG23 VAL A 85 52.064 7.731 -12.399 1.00 0.00 H new ATOM 1313 N SER A 86 53.380 7.208 -14.596 1.00 0.00 N ATOM 1314 CA SER A 86 53.484 8.425 -15.453 1.00 0.00 C ATOM 1315 C SER A 86 54.947 8.688 -15.822 1.00 0.00 C ATOM 1316 O SER A 86 55.464 9.768 -15.615 1.00 0.00 O ATOM 1317 CB SER A 86 52.933 9.562 -14.593 1.00 0.00 C ATOM 1318 OG SER A 86 51.521 9.624 -14.744 1.00 0.00 O ATOM 0 H SER A 86 52.698 6.516 -14.906 1.00 0.00 H new ATOM 0 HA SER A 86 52.936 8.321 -16.389 1.00 0.00 H new ATOM 0 HB2 SER A 86 53.191 9.400 -13.547 1.00 0.00 H new ATOM 0 HB3 SER A 86 53.384 10.509 -14.890 1.00 0.00 H new ATOM 0 HG SER A 86 51.165 10.351 -14.192 1.00 0.00 H new ATOM 1324 N ASP A 87 55.616 7.708 -16.366 1.00 0.00 N ATOM 1325 CA ASP A 87 57.045 7.901 -16.748 1.00 0.00 C ATOM 1326 C ASP A 87 57.142 8.689 -18.059 1.00 0.00 C ATOM 1327 O ASP A 87 58.252 9.007 -18.455 1.00 0.00 O ATOM 1328 CB ASP A 87 57.601 6.488 -16.930 1.00 0.00 C ATOM 1329 CG ASP A 87 59.057 6.568 -17.394 1.00 0.00 C ATOM 1330 OD1 ASP A 87 59.272 6.702 -18.587 1.00 0.00 O ATOM 1331 OD2 ASP A 87 59.932 6.492 -16.547 1.00 0.00 O ATOM 1332 OXT ASP A 87 56.105 8.958 -18.643 1.00 0.00 O ATOM 0 H ASP A 87 55.235 6.782 -16.563 1.00 0.00 H new ATOM 0 HA ASP A 87 57.600 8.464 -15.998 1.00 0.00 H new ATOM 0 HB2 ASP A 87 57.537 5.937 -15.992 1.00 0.00 H new ATOM 0 HB3 ASP A 87 57.005 5.942 -17.661 1.00 0.00 H new TER 1337 ASP A 87