USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 825 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 56 THR OG1 : rot -100:sc= 0.998 USER MOD Set 1.2: A 77 LYS NZ :NH3+ -135:sc= 1.15 (180deg=0) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -168:sc= -0.356 (180deg=0) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.457 X(o=-0.81,f=-1.3) USER MOD Set 3.1: A 25 LYS NZ :NH3+ -162:sc= -0.544 (180deg=-1.09) USER MOD Set 3.2: A 82 GLN : amide:sc= -7.49! C(o=-8!,f=-23!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -166:sc= -1.83! USER MOD Single : A 14 SER OG : rot -26:sc= -0.198! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -97:sc= -1.06! USER MOD Single : A 26 TYR OH : rot 130:sc= 0.0289 USER MOD Single : A 27 THR OG1 : rot -139:sc= -1.49! USER MOD Single : A 31 HIS : no HE2:sc= -1.72 X(o=-1.7,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -98:sc= -5.37! USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= -0.168 (180deg=-1.12) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -9.86! C(o=-9.9!,f=-14!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.177 -13.223 11.890 1.00 0.00 N ATOM 2 CA MET A 1 -1.433 -11.830 11.424 1.00 0.00 C ATOM 3 C MET A 1 -2.842 -11.720 10.830 1.00 0.00 C ATOM 4 O MET A 1 -3.822 -12.049 11.469 1.00 0.00 O ATOM 5 CB MET A 1 -0.379 -11.573 10.347 1.00 0.00 C ATOM 6 CG MET A 1 -0.261 -10.067 10.097 1.00 0.00 C ATOM 7 SD MET A 1 0.607 -9.290 11.481 1.00 0.00 S ATOM 8 CE MET A 1 1.571 -8.106 10.509 1.00 0.00 C ATOM 0 H1 MET A 1 -0.219 -13.285 12.290 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.874 -13.479 12.618 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.259 -13.878 11.087 1.00 0.00 H new ATOM 0 HA MET A 1 -1.373 -11.106 12.237 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.583 -11.977 10.661 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.654 -12.085 9.425 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.278 -9.883 9.167 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.252 -9.628 9.983 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.192 -7.508 11.176 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.207 -8.644 9.806 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.895 -7.451 9.959 1.00 0.00 H new ATOM 20 N LYS A 2 -2.950 -11.259 9.613 1.00 0.00 N ATOM 21 CA LYS A 2 -4.283 -11.126 8.976 1.00 0.00 C ATOM 22 C LYS A 2 -4.855 -12.501 8.643 1.00 0.00 C ATOM 23 O LYS A 2 -4.292 -13.231 7.863 1.00 0.00 O ATOM 24 CB LYS A 2 -4.015 -10.339 7.685 1.00 0.00 C ATOM 25 CG LYS A 2 -3.278 -9.043 8.031 1.00 0.00 C ATOM 26 CD LYS A 2 -4.135 -8.211 8.990 1.00 0.00 C ATOM 27 CE LYS A 2 -3.624 -8.392 10.420 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.176 -7.233 11.175 1.00 0.00 N ATOM 0 H LYS A 2 -2.164 -10.968 9.032 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.005 -10.632 9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.419 -10.938 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.954 -10.114 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.316 -9.270 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.072 -8.475 7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.096 -7.159 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.178 -8.520 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.963 -9.337 10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.535 -8.401 10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.869 -7.287 12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.831 -6.347 10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.215 -7.254 11.133 1.00 0.00 H new ATOM 42 N THR A 3 -5.986 -12.844 9.209 1.00 0.00 N ATOM 43 CA THR A 3 -6.625 -14.167 8.893 1.00 0.00 C ATOM 44 C THR A 3 -6.404 -14.454 7.420 1.00 0.00 C ATOM 45 O THR A 3 -6.215 -15.577 7.003 1.00 0.00 O ATOM 46 CB THR A 3 -8.112 -13.977 9.184 1.00 0.00 C ATOM 47 OG1 THR A 3 -8.744 -15.246 9.268 1.00 0.00 O ATOM 48 CG2 THR A 3 -8.764 -13.151 8.068 1.00 0.00 C ATOM 0 H THR A 3 -6.497 -12.267 9.877 1.00 0.00 H new ATOM 0 HA THR A 3 -6.216 -14.995 9.472 1.00 0.00 H new ATOM 0 HB THR A 3 -8.226 -13.449 10.131 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.698 -15.124 9.456 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.824 -13.021 8.284 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.283 -12.175 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.649 -13.670 7.116 1.00 0.00 H new ATOM 56 N ALA A 4 -6.379 -13.399 6.653 1.00 0.00 N ATOM 57 CA ALA A 4 -6.101 -13.501 5.205 1.00 0.00 C ATOM 58 C ALA A 4 -4.693 -14.045 5.054 1.00 0.00 C ATOM 59 O ALA A 4 -3.819 -13.348 4.597 1.00 0.00 O ATOM 60 CB ALA A 4 -6.130 -12.055 4.733 1.00 0.00 C ATOM 0 H ALA A 4 -6.545 -12.449 6.985 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.795 -14.137 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.933 -12.018 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.111 -11.625 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.367 -11.484 5.262 1.00 0.00 H new ATOM 66 N TYR A 5 -4.461 -15.259 5.491 1.00 0.00 N ATOM 67 CA TYR A 5 -3.079 -15.846 5.450 1.00 0.00 C ATOM 68 C TYR A 5 -2.070 -14.715 5.665 1.00 0.00 C ATOM 69 O TYR A 5 -0.998 -14.675 5.094 1.00 0.00 O ATOM 70 CB TYR A 5 -2.892 -16.583 4.098 1.00 0.00 C ATOM 71 CG TYR A 5 -3.348 -15.766 2.907 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.689 -15.396 2.775 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.422 -15.397 1.921 1.00 0.00 C ATOM 74 CE1 TYR A 5 -5.108 -14.652 1.670 1.00 0.00 C ATOM 75 CE2 TYR A 5 -2.842 -14.652 0.809 1.00 0.00 C ATOM 76 CZ TYR A 5 -4.186 -14.278 0.687 1.00 0.00 C ATOM 77 OH TYR A 5 -4.602 -13.543 -0.402 1.00 0.00 O ATOM 0 H TYR A 5 -5.175 -15.876 5.878 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.921 -16.580 6.240 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.840 -16.839 3.974 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.448 -17.520 4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.404 -15.687 3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.386 -15.686 2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.145 -14.365 1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.130 -14.367 0.048 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.906 -13.557 -1.091 1.00 0.00 H new ATOM 87 N ASP A 6 -2.461 -13.789 6.510 1.00 0.00 N ATOM 88 CA ASP A 6 -1.621 -12.607 6.846 1.00 0.00 C ATOM 89 C ASP A 6 -1.356 -11.749 5.605 1.00 0.00 C ATOM 90 O ASP A 6 -0.227 -11.550 5.200 1.00 0.00 O ATOM 91 CB ASP A 6 -0.351 -13.202 7.429 1.00 0.00 C ATOM 92 CG ASP A 6 0.733 -12.125 7.517 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.396 -10.962 7.372 1.00 0.00 O ATOM 94 OD2 ASP A 6 1.879 -12.483 7.728 1.00 0.00 O ATOM 0 H ASP A 6 -3.359 -13.811 6.993 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.102 -11.930 7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.551 -13.611 8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.006 -14.028 6.807 1.00 0.00 H new ATOM 99 N VAL A 7 -2.404 -11.249 4.986 1.00 0.00 N ATOM 100 CA VAL A 7 -2.235 -10.414 3.759 1.00 0.00 C ATOM 101 C VAL A 7 -2.993 -9.079 3.876 1.00 0.00 C ATOM 102 O VAL A 7 -2.651 -8.229 4.671 1.00 0.00 O ATOM 103 CB VAL A 7 -2.833 -11.255 2.644 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.491 -10.623 1.299 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.279 -12.668 2.713 1.00 0.00 C ATOM 0 H VAL A 7 -3.370 -11.387 5.283 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.190 -10.157 3.588 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.916 -11.297 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.918 -11.223 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.902 -9.614 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.408 -10.579 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.711 -13.268 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.195 -12.640 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.533 -13.112 3.675 1.00 0.00 H new ATOM 115 N ILE A 8 -4.012 -8.885 3.066 1.00 0.00 N ATOM 116 CA ILE A 8 -4.789 -7.615 3.093 1.00 0.00 C ATOM 117 C ILE A 8 -5.607 -7.504 4.384 1.00 0.00 C ATOM 118 O ILE A 8 -5.908 -8.489 5.028 1.00 0.00 O ATOM 119 CB ILE A 8 -5.710 -7.719 1.874 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.905 -8.133 0.642 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.356 -6.361 1.595 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.656 -9.244 -0.092 1.00 0.00 C ATOM 0 H ILE A 8 -4.337 -9.567 2.381 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.151 -6.732 3.064 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.478 -8.464 2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.759 -7.278 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.915 -8.480 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.010 -6.441 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.940 -6.051 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.579 -5.622 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.089 -9.546 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.779 -10.100 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.636 -8.879 -0.399 1.00 0.00 H new ATOM 134 N LEU A 9 -5.971 -6.306 4.766 1.00 0.00 N ATOM 135 CA LEU A 9 -6.773 -6.127 6.013 1.00 0.00 C ATOM 136 C LEU A 9 -7.643 -4.865 5.923 1.00 0.00 C ATOM 137 O LEU A 9 -8.751 -4.904 5.426 1.00 0.00 O ATOM 138 CB LEU A 9 -5.749 -5.999 7.151 1.00 0.00 C ATOM 139 CG LEU A 9 -4.503 -5.251 6.666 1.00 0.00 C ATOM 140 CD1 LEU A 9 -4.111 -4.186 7.692 1.00 0.00 C ATOM 141 CD2 LEU A 9 -3.354 -6.242 6.495 1.00 0.00 C ATOM 0 H LEU A 9 -5.747 -5.445 4.268 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.452 -6.964 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.195 -5.469 7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.470 -6.989 7.511 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.716 -4.770 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.224 -3.655 7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.932 -3.480 7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.897 -4.663 8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.466 -5.713 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.142 -6.722 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.633 -6.999 5.762 1.00 0.00 H new ATOM 153 N ALA A 10 -7.159 -3.751 6.407 1.00 0.00 N ATOM 154 CA ALA A 10 -7.971 -2.497 6.355 1.00 0.00 C ATOM 155 C ALA A 10 -7.672 -1.704 5.077 1.00 0.00 C ATOM 156 O ALA A 10 -6.542 -1.634 4.637 1.00 0.00 O ATOM 157 CB ALA A 10 -7.544 -1.702 7.588 1.00 0.00 C ATOM 0 H ALA A 10 -6.238 -3.654 6.835 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.041 -2.706 6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.096 -0.763 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.755 -2.282 8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.476 -1.493 7.534 1.00 0.00 H new ATOM 163 N PRO A 11 -8.711 -1.130 4.529 1.00 0.00 N ATOM 164 CA PRO A 11 -8.580 -0.326 3.289 1.00 0.00 C ATOM 165 C PRO A 11 -7.991 1.055 3.595 1.00 0.00 C ATOM 166 O PRO A 11 -7.805 1.424 4.737 1.00 0.00 O ATOM 167 CB PRO A 11 -10.016 -0.199 2.794 1.00 0.00 C ATOM 168 CG PRO A 11 -10.870 -0.356 4.013 1.00 0.00 C ATOM 169 CD PRO A 11 -10.095 -1.183 5.009 1.00 0.00 C ATOM 0 HA PRO A 11 -7.914 -0.782 2.556 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.184 0.767 2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.245 -0.964 2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.118 0.618 4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.812 -0.844 3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.182 -0.776 6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.464 -2.208 5.046 1.00 0.00 H new ATOM 177 N VAL A 12 -7.699 1.821 2.577 1.00 0.00 N ATOM 178 CA VAL A 12 -7.125 3.181 2.805 1.00 0.00 C ATOM 179 C VAL A 12 -8.103 4.253 2.312 1.00 0.00 C ATOM 180 O VAL A 12 -8.554 4.220 1.183 1.00 0.00 O ATOM 181 CB VAL A 12 -5.819 3.226 1.991 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.139 1.854 2.007 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.123 3.621 0.541 1.00 0.00 C ATOM 0 H VAL A 12 -7.833 1.565 1.599 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.941 3.373 3.862 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.154 3.963 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.217 1.898 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.909 1.574 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.807 1.112 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.195 3.651 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.798 2.889 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.592 4.605 0.523 1.00 0.00 H new ATOM 193 N LEU A 13 -8.431 5.202 3.138 1.00 0.00 N ATOM 194 CA LEU A 13 -9.371 6.269 2.697 1.00 0.00 C ATOM 195 C LEU A 13 -8.605 7.556 2.381 1.00 0.00 C ATOM 196 O LEU A 13 -8.039 8.184 3.255 1.00 0.00 O ATOM 197 CB LEU A 13 -10.321 6.477 3.873 1.00 0.00 C ATOM 198 CG LEU A 13 -11.202 5.237 4.044 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.771 4.818 2.686 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.364 4.093 4.619 1.00 0.00 C ATOM 0 H LEU A 13 -8.092 5.287 4.096 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.908 5.994 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.753 6.661 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.942 7.356 3.701 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.022 5.468 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.398 3.935 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.368 5.632 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.953 4.588 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.990 3.209 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.544 3.865 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.960 4.389 5.587 1.00 0.00 H new ATOM 212 N SER A 14 -8.582 7.953 1.139 1.00 0.00 N ATOM 213 CA SER A 14 -7.853 9.199 0.766 1.00 0.00 C ATOM 214 C SER A 14 -8.391 9.748 -0.558 1.00 0.00 C ATOM 215 O SER A 14 -9.031 9.047 -1.317 1.00 0.00 O ATOM 216 CB SER A 14 -6.394 8.773 0.616 1.00 0.00 C ATOM 217 OG SER A 14 -5.981 8.086 1.790 1.00 0.00 O ATOM 0 H SER A 14 -9.037 7.468 0.365 1.00 0.00 H new ATOM 0 HA SER A 14 -7.973 9.987 1.509 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.279 8.128 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.763 9.647 0.451 1.00 0.00 H new ATOM 0 HG SER A 14 -6.526 8.380 2.550 1.00 0.00 H new ATOM 223 N GLU A 15 -8.137 10.996 -0.841 1.00 0.00 N ATOM 224 CA GLU A 15 -8.634 11.585 -2.117 1.00 0.00 C ATOM 225 C GLU A 15 -8.096 10.791 -3.310 1.00 0.00 C ATOM 226 O GLU A 15 -8.845 10.317 -4.141 1.00 0.00 O ATOM 227 CB GLU A 15 -8.089 13.013 -2.133 1.00 0.00 C ATOM 228 CG GLU A 15 -8.634 13.782 -0.927 1.00 0.00 C ATOM 229 CD GLU A 15 -7.650 14.887 -0.539 1.00 0.00 C ATOM 230 OE1 GLU A 15 -7.389 15.740 -1.373 1.00 0.00 O ATOM 231 OE2 GLU A 15 -7.175 14.864 0.584 1.00 0.00 O ATOM 0 H GLU A 15 -7.608 11.633 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.722 11.564 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.999 12.998 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.378 13.513 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.606 14.214 -1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.785 13.103 -0.087 1.00 0.00 H new ATOM 238 N LYS A 16 -6.802 10.643 -3.402 1.00 0.00 N ATOM 239 CA LYS A 16 -6.219 9.882 -4.539 1.00 0.00 C ATOM 240 C LYS A 16 -6.843 8.486 -4.617 1.00 0.00 C ATOM 241 O LYS A 16 -6.825 7.845 -5.648 1.00 0.00 O ATOM 242 CB LYS A 16 -4.725 9.786 -4.227 1.00 0.00 C ATOM 243 CG LYS A 16 -3.924 9.915 -5.524 1.00 0.00 C ATOM 244 CD LYS A 16 -3.793 11.393 -5.900 1.00 0.00 C ATOM 245 CE LYS A 16 -3.054 11.517 -7.234 1.00 0.00 C ATOM 246 NZ LYS A 16 -2.171 12.705 -7.075 1.00 0.00 N ATOM 0 H LYS A 16 -6.125 11.017 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.404 10.366 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.437 10.572 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.504 8.834 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.936 9.472 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.420 9.368 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.780 11.849 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.252 11.931 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.474 10.620 -7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.751 11.651 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.630 12.855 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.751 13.545 -6.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.513 12.546 -6.285 1.00 0.00 H new ATOM 260 N ALA A 17 -7.395 8.011 -3.534 1.00 0.00 N ATOM 261 CA ALA A 17 -8.020 6.658 -3.548 1.00 0.00 C ATOM 262 C ALA A 17 -9.534 6.776 -3.729 1.00 0.00 C ATOM 263 O ALA A 17 -10.116 6.151 -4.592 1.00 0.00 O ATOM 264 CB ALA A 17 -7.693 6.052 -2.183 1.00 0.00 C ATOM 0 H ALA A 17 -7.440 8.501 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.647 6.043 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.121 5.052 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.611 5.992 -2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.113 6.679 -1.397 1.00 0.00 H new ATOM 270 N TYR A 18 -10.179 7.571 -2.919 1.00 0.00 N ATOM 271 CA TYR A 18 -11.656 7.723 -3.049 1.00 0.00 C ATOM 272 C TYR A 18 -12.032 8.005 -4.505 1.00 0.00 C ATOM 273 O TYR A 18 -13.058 7.568 -4.987 1.00 0.00 O ATOM 274 CB TYR A 18 -12.015 8.912 -2.159 1.00 0.00 C ATOM 275 CG TYR A 18 -12.436 8.413 -0.797 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.269 7.293 -0.686 1.00 0.00 C ATOM 277 CD2 TYR A 18 -11.990 9.069 0.357 1.00 0.00 C ATOM 278 CE1 TYR A 18 -13.658 6.830 0.578 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.377 8.607 1.619 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.211 7.488 1.730 1.00 0.00 C ATOM 281 OH TYR A 18 -13.593 7.032 2.976 1.00 0.00 O ATOM 0 H TYR A 18 -9.748 8.120 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.191 6.821 -2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.159 9.581 -2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.821 9.489 -2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.612 6.786 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.347 9.932 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.302 5.967 0.663 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.032 9.114 2.508 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.357 7.555 3.296 1.00 0.00 H new ATOM 291 N ALA A 19 -11.207 8.729 -5.210 1.00 0.00 N ATOM 292 CA ALA A 19 -11.516 9.036 -6.635 1.00 0.00 C ATOM 293 C ALA A 19 -10.919 7.958 -7.546 1.00 0.00 C ATOM 294 O ALA A 19 -11.185 7.913 -8.731 1.00 0.00 O ATOM 295 CB ALA A 19 -10.860 10.391 -6.901 1.00 0.00 C ATOM 0 H ALA A 19 -10.332 9.121 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.588 9.060 -6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.043 10.687 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.282 11.138 -6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.786 10.315 -6.730 1.00 0.00 H new ATOM 301 N GLY A 20 -10.123 7.084 -6.995 1.00 0.00 N ATOM 302 CA GLY A 20 -9.512 5.996 -7.811 1.00 0.00 C ATOM 303 C GLY A 20 -10.261 4.705 -7.522 1.00 0.00 C ATOM 304 O GLY A 20 -10.589 3.944 -8.411 1.00 0.00 O ATOM 0 H GLY A 20 -9.868 7.076 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.570 6.239 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.456 5.885 -7.566 1.00 0.00 H new ATOM 308 N PHE A 21 -10.554 4.465 -6.278 1.00 0.00 N ATOM 309 CA PHE A 21 -11.305 3.240 -5.915 1.00 0.00 C ATOM 310 C PHE A 21 -12.720 3.334 -6.497 1.00 0.00 C ATOM 311 O PHE A 21 -13.434 2.356 -6.603 1.00 0.00 O ATOM 312 CB PHE A 21 -11.304 3.239 -4.373 1.00 0.00 C ATOM 313 CG PHE A 21 -12.662 3.614 -3.825 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.054 4.957 -3.790 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.525 2.620 -3.353 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.310 5.305 -3.283 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.782 2.967 -2.847 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.175 4.311 -2.811 1.00 0.00 C ATOM 0 H PHE A 21 -10.304 5.068 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.873 2.318 -6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.022 2.252 -4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.555 3.941 -4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.387 5.724 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.221 1.584 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.613 6.341 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.449 2.199 -2.484 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.145 4.580 -2.419 1.00 0.00 H new ATOM 328 N ALA A 22 -13.121 4.520 -6.865 1.00 0.00 N ATOM 329 CA ALA A 22 -14.478 4.718 -7.432 1.00 0.00 C ATOM 330 C ALA A 22 -14.669 3.862 -8.689 1.00 0.00 C ATOM 331 O ALA A 22 -15.778 3.587 -9.103 1.00 0.00 O ATOM 332 CB ALA A 22 -14.534 6.203 -7.781 1.00 0.00 C ATOM 0 H ALA A 22 -12.557 5.367 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.264 4.425 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.508 6.440 -8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.381 6.795 -6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.753 6.436 -8.505 1.00 0.00 H new ATOM 338 N GLU A 23 -13.594 3.444 -9.295 1.00 0.00 N ATOM 339 CA GLU A 23 -13.697 2.609 -10.528 1.00 0.00 C ATOM 340 C GLU A 23 -13.778 1.127 -10.155 1.00 0.00 C ATOM 341 O GLU A 23 -13.525 0.258 -10.966 1.00 0.00 O ATOM 342 CB GLU A 23 -12.407 2.888 -11.297 1.00 0.00 C ATOM 343 CG GLU A 23 -12.722 3.074 -12.782 1.00 0.00 C ATOM 344 CD GLU A 23 -11.420 3.086 -13.584 1.00 0.00 C ATOM 345 OE1 GLU A 23 -10.370 3.174 -12.969 1.00 0.00 O ATOM 346 OE2 GLU A 23 -11.494 3.005 -14.799 1.00 0.00 O ATOM 0 H GLU A 23 -12.642 3.645 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.586 2.843 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.924 3.782 -10.903 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.707 2.063 -11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.369 2.269 -13.131 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.264 4.007 -12.935 1.00 0.00 H new ATOM 353 N GLY A 24 -14.101 0.834 -8.927 1.00 0.00 N ATOM 354 CA GLY A 24 -14.166 -0.580 -8.494 1.00 0.00 C ATOM 355 C GLY A 24 -12.796 -0.981 -7.947 1.00 0.00 C ATOM 356 O GLY A 24 -12.561 -2.118 -7.587 1.00 0.00 O ATOM 0 H GLY A 24 -14.323 1.519 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.932 -0.707 -7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.442 -1.221 -9.331 1.00 0.00 H new ATOM 360 N LYS A 25 -11.891 -0.041 -7.880 1.00 0.00 N ATOM 361 CA LYS A 25 -10.528 -0.329 -7.358 1.00 0.00 C ATOM 362 C LYS A 25 -10.546 -0.274 -5.828 1.00 0.00 C ATOM 363 O LYS A 25 -11.122 0.618 -5.246 1.00 0.00 O ATOM 364 CB LYS A 25 -9.667 0.803 -7.931 1.00 0.00 C ATOM 365 CG LYS A 25 -9.274 0.473 -9.370 1.00 0.00 C ATOM 366 CD LYS A 25 -8.783 1.741 -10.070 1.00 0.00 C ATOM 367 CE LYS A 25 -8.409 1.414 -11.517 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.224 0.518 -11.413 1.00 0.00 N ATOM 0 H LYS A 25 -12.043 0.925 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.155 -1.314 -7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.218 1.743 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.773 0.938 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.492 -0.286 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.128 0.057 -9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.560 2.505 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.920 2.149 -9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.232 0.922 -12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.173 2.318 -12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.726 0.493 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.582 0.876 -10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.536 -0.442 -11.163 1.00 0.00 H new ATOM 382 N TYR A 26 -9.941 -1.218 -5.162 1.00 0.00 N ATOM 383 CA TYR A 26 -9.963 -1.177 -3.671 1.00 0.00 C ATOM 384 C TYR A 26 -8.553 -1.301 -3.084 1.00 0.00 C ATOM 385 O TYR A 26 -8.020 -2.383 -2.935 1.00 0.00 O ATOM 386 CB TYR A 26 -10.842 -2.354 -3.255 1.00 0.00 C ATOM 387 CG TYR A 26 -12.233 -2.153 -3.808 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.837 -0.892 -3.734 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.918 -3.224 -4.394 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.126 -0.702 -4.244 1.00 0.00 C ATOM 391 CE2 TYR A 26 -14.207 -3.033 -4.906 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.811 -1.772 -4.831 1.00 0.00 C ATOM 393 OH TYR A 26 -16.081 -1.585 -5.336 1.00 0.00 O ATOM 0 H TYR A 26 -9.440 -2.004 -5.576 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.351 -0.228 -3.300 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.421 -3.288 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.877 -2.431 -2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.308 -0.066 -3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.452 -4.197 -4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.592 0.270 -4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.736 -3.859 -5.359 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.126 -1.941 -6.248 1.00 0.00 H new ATOM 403 N THR A 27 -7.959 -0.192 -2.738 1.00 0.00 N ATOM 404 CA THR A 27 -6.596 -0.198 -2.148 1.00 0.00 C ATOM 405 C THR A 27 -6.659 -0.671 -0.700 1.00 0.00 C ATOM 406 O THR A 27 -7.486 -0.232 0.074 1.00 0.00 O ATOM 407 CB THR A 27 -6.139 1.261 -2.210 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.587 1.845 -3.426 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.615 1.326 -2.139 1.00 0.00 C ATOM 0 H THR A 27 -8.372 0.735 -2.843 1.00 0.00 H new ATOM 0 HA THR A 27 -5.915 -0.866 -2.676 1.00 0.00 H new ATOM 0 HB THR A 27 -6.560 1.809 -1.367 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.879 2.412 -3.797 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.293 2.366 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.275 0.880 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.188 0.778 -2.979 1.00 0.00 H new ATOM 417 N PHE A 28 -5.796 -1.569 -0.335 1.00 0.00 N ATOM 418 CA PHE A 28 -5.805 -2.081 1.059 1.00 0.00 C ATOM 419 C PHE A 28 -4.418 -1.948 1.679 1.00 0.00 C ATOM 420 O PHE A 28 -3.431 -1.817 0.987 1.00 0.00 O ATOM 421 CB PHE A 28 -6.165 -3.557 0.932 1.00 0.00 C ATOM 422 CG PHE A 28 -7.549 -3.714 0.355 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.636 -3.059 0.945 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.746 -4.525 -0.766 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.921 -3.213 0.411 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.030 -4.680 -1.301 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.117 -4.024 -0.713 1.00 0.00 C ATOM 0 H PHE A 28 -5.082 -1.972 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.502 -1.531 1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.439 -4.061 0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.116 -4.035 1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.483 -2.434 1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.907 -5.032 -1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.760 -2.707 0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.182 -5.306 -2.168 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.108 -4.143 -1.126 1.00 0.00 H new ATOM 437 N TRP A 29 -4.327 -2.043 2.973 1.00 0.00 N ATOM 438 CA TRP A 29 -2.998 -1.986 3.628 1.00 0.00 C ATOM 439 C TRP A 29 -2.571 -3.427 3.810 1.00 0.00 C ATOM 440 O TRP A 29 -3.291 -4.217 4.378 1.00 0.00 O ATOM 441 CB TRP A 29 -3.224 -1.308 4.981 1.00 0.00 C ATOM 442 CG TRP A 29 -3.522 0.144 4.778 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.738 0.714 4.941 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.615 1.218 4.386 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.636 2.067 4.671 1.00 0.00 N ATOM 446 CE2 TRP A 29 -3.350 2.426 4.325 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.243 1.260 4.079 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.745 3.633 3.973 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.631 2.475 3.725 1.00 0.00 C ATOM 450 CH2 TRP A 29 -1.380 3.658 3.672 1.00 0.00 C ATOM 0 H TRP A 29 -5.119 -2.158 3.606 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.239 -1.441 3.067 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.050 -1.788 5.505 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.340 -1.423 5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.640 0.198 5.234 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.418 2.720 4.722 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.657 0.354 4.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.327 4.542 3.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.423 2.497 3.492 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.903 4.588 3.399 1.00 0.00 H new ATOM 461 N VAL A 30 -1.457 -3.820 3.291 1.00 0.00 N ATOM 462 CA VAL A 30 -1.108 -5.242 3.421 1.00 0.00 C ATOM 463 C VAL A 30 0.394 -5.461 3.492 1.00 0.00 C ATOM 464 O VAL A 30 1.190 -4.600 3.173 1.00 0.00 O ATOM 465 CB VAL A 30 -1.694 -5.851 2.159 1.00 0.00 C ATOM 466 CG1 VAL A 30 -1.249 -5.046 0.937 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.221 -7.278 2.019 1.00 0.00 C ATOM 0 H VAL A 30 -0.787 -3.233 2.793 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.492 -5.686 4.339 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.782 -5.831 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.673 -5.489 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.595 -4.017 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.161 -5.058 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.642 -7.714 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.133 -7.296 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.546 -7.856 2.884 1.00 0.00 H new ATOM 477 N HIS A 31 0.773 -6.627 3.918 1.00 0.00 N ATOM 478 CA HIS A 31 2.223 -6.956 4.032 1.00 0.00 C ATOM 479 C HIS A 31 2.918 -6.768 2.680 1.00 0.00 C ATOM 480 O HIS A 31 2.369 -7.093 1.647 1.00 0.00 O ATOM 481 CB HIS A 31 2.263 -8.424 4.457 1.00 0.00 C ATOM 482 CG HIS A 31 3.316 -8.608 5.514 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.515 -7.684 6.528 1.00 0.00 N ATOM 484 CD2 HIS A 31 4.237 -9.603 5.728 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.520 -8.137 7.299 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.997 -9.304 6.856 1.00 0.00 N ATOM 0 H HIS A 31 0.138 -7.376 4.196 1.00 0.00 H new ATOM 0 HA HIS A 31 2.738 -6.311 4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.290 -8.730 4.840 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.480 -9.057 3.597 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.994 -6.818 6.665 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.354 -10.484 5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.896 -7.620 8.170 1.00 0.00 H new ATOM 494 N PRO A 32 4.111 -6.246 2.743 1.00 0.00 N ATOM 495 CA PRO A 32 4.907 -6.003 1.514 1.00 0.00 C ATOM 496 C PRO A 32 5.459 -7.319 0.973 1.00 0.00 C ATOM 497 O PRO A 32 6.603 -7.664 1.197 1.00 0.00 O ATOM 498 CB PRO A 32 6.035 -5.105 1.994 1.00 0.00 C ATOM 499 CG PRO A 32 6.177 -5.397 3.454 1.00 0.00 C ATOM 500 CD PRO A 32 4.826 -5.836 3.956 1.00 0.00 C ATOM 0 HA PRO A 32 4.326 -5.558 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.961 -5.316 1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.801 -4.054 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.920 -6.177 3.619 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.518 -4.512 3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.912 -6.659 4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.309 -5.026 4.469 1.00 0.00 H new ATOM 508 N LYS A 33 4.651 -8.064 0.280 1.00 0.00 N ATOM 509 CA LYS A 33 5.126 -9.367 -0.257 1.00 0.00 C ATOM 510 C LYS A 33 3.994 -10.073 -0.999 1.00 0.00 C ATOM 511 O LYS A 33 4.210 -10.767 -1.973 1.00 0.00 O ATOM 512 CB LYS A 33 5.534 -10.172 0.980 1.00 0.00 C ATOM 513 CG LYS A 33 4.514 -9.946 2.104 1.00 0.00 C ATOM 514 CD LYS A 33 3.923 -11.289 2.537 1.00 0.00 C ATOM 515 CE LYS A 33 4.965 -12.071 3.341 1.00 0.00 C ATOM 516 NZ LYS A 33 4.175 -13.003 4.192 1.00 0.00 N ATOM 0 H LYS A 33 3.683 -7.829 0.061 1.00 0.00 H new ATOM 0 HA LYS A 33 5.948 -9.251 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.589 -11.232 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.527 -9.870 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.994 -9.458 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.721 -9.282 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.029 -11.127 3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.618 -11.863 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.643 -12.615 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.577 -11.404 3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.821 -13.574 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.543 -12.456 4.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.608 -13.630 3.586 1.00 0.00 H new ATOM 530 N ALA A 34 2.786 -9.910 -0.535 1.00 0.00 N ATOM 531 CA ALA A 34 1.640 -10.579 -1.202 1.00 0.00 C ATOM 532 C ALA A 34 1.613 -10.226 -2.691 1.00 0.00 C ATOM 533 O ALA A 34 1.112 -9.191 -3.083 1.00 0.00 O ATOM 534 CB ALA A 34 0.397 -10.036 -0.498 1.00 0.00 C ATOM 0 H ALA A 34 2.545 -9.342 0.277 1.00 0.00 H new ATOM 0 HA ALA A 34 1.702 -11.665 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.495 -10.485 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.443 -10.282 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.355 -8.953 -0.618 1.00 0.00 H new ATOM 540 N THR A 35 2.150 -11.075 -3.527 1.00 0.00 N ATOM 541 CA THR A 35 2.152 -10.780 -4.988 1.00 0.00 C ATOM 542 C THR A 35 0.793 -10.218 -5.415 1.00 0.00 C ATOM 543 O THR A 35 -0.229 -10.541 -4.844 1.00 0.00 O ATOM 544 CB THR A 35 2.417 -12.125 -5.666 1.00 0.00 C ATOM 545 OG1 THR A 35 1.727 -13.151 -4.967 1.00 0.00 O ATOM 546 CG2 THR A 35 3.917 -12.418 -5.655 1.00 0.00 C ATOM 0 H THR A 35 2.586 -11.958 -3.261 1.00 0.00 H new ATOM 0 HA THR A 35 2.901 -10.036 -5.258 1.00 0.00 H new ATOM 0 HB THR A 35 2.065 -12.087 -6.697 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.344 -13.600 -4.352 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.104 -13.377 -6.139 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.445 -11.631 -6.193 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.273 -12.455 -4.625 1.00 0.00 H new ATOM 554 N LYS A 36 0.774 -9.376 -6.413 1.00 0.00 N ATOM 555 CA LYS A 36 -0.520 -8.792 -6.872 1.00 0.00 C ATOM 556 C LYS A 36 -1.604 -9.874 -6.911 1.00 0.00 C ATOM 557 O LYS A 36 -2.735 -9.646 -6.531 1.00 0.00 O ATOM 558 CB LYS A 36 -0.238 -8.258 -8.277 1.00 0.00 C ATOM 559 CG LYS A 36 0.420 -6.878 -8.176 1.00 0.00 C ATOM 560 CD LYS A 36 -0.506 -5.824 -8.790 1.00 0.00 C ATOM 561 CE LYS A 36 0.281 -4.533 -9.048 1.00 0.00 C ATOM 562 NZ LYS A 36 1.224 -4.863 -10.157 1.00 0.00 N ATOM 0 H LYS A 36 1.597 -9.067 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.880 -8.008 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.415 -8.946 -8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.166 -8.190 -8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.623 -6.636 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.379 -6.882 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.929 -6.196 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.341 -5.624 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.384 -3.716 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.819 -4.215 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.478 -3.993 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.083 -5.298 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.768 -5.528 -10.814 1.00 0.00 H new ATOM 576 N THR A 37 -1.267 -11.050 -7.362 1.00 0.00 N ATOM 577 CA THR A 37 -2.279 -12.143 -7.418 1.00 0.00 C ATOM 578 C THR A 37 -2.542 -12.696 -6.015 1.00 0.00 C ATOM 579 O THR A 37 -3.663 -13.006 -5.660 1.00 0.00 O ATOM 580 CB THR A 37 -1.660 -13.206 -8.311 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.759 -12.800 -9.669 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.385 -14.539 -8.118 1.00 0.00 C ATOM 0 H THR A 37 -0.336 -11.302 -7.694 1.00 0.00 H new ATOM 0 HA THR A 37 -3.239 -11.799 -7.803 1.00 0.00 H new ATOM 0 HB THR A 37 -0.611 -13.331 -8.044 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.358 -13.484 -10.245 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.935 -15.295 -8.762 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.300 -14.852 -7.077 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.437 -14.422 -8.377 1.00 0.00 H new ATOM 590 N GLU A 38 -1.520 -12.821 -5.213 1.00 0.00 N ATOM 591 CA GLU A 38 -1.717 -13.351 -3.832 1.00 0.00 C ATOM 592 C GLU A 38 -2.757 -12.507 -3.097 1.00 0.00 C ATOM 593 O GLU A 38 -3.638 -13.023 -2.439 1.00 0.00 O ATOM 594 CB GLU A 38 -0.351 -13.226 -3.158 1.00 0.00 C ATOM 595 CG GLU A 38 0.381 -14.566 -3.234 1.00 0.00 C ATOM 596 CD GLU A 38 1.677 -14.488 -2.425 1.00 0.00 C ATOM 597 OE1 GLU A 38 2.523 -13.681 -2.775 1.00 0.00 O ATOM 598 OE2 GLU A 38 1.801 -15.235 -1.469 1.00 0.00 O ATOM 0 H GLU A 38 -0.558 -12.580 -5.453 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.076 -14.380 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.238 -12.450 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.473 -12.925 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.255 -15.362 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.603 -14.813 -4.272 1.00 0.00 H new ATOM 605 N ILE A 39 -2.667 -11.211 -3.210 1.00 0.00 N ATOM 606 CA ILE A 39 -3.652 -10.328 -2.527 1.00 0.00 C ATOM 607 C ILE A 39 -5.072 -10.688 -2.986 1.00 0.00 C ATOM 608 O ILE A 39 -6.032 -10.544 -2.258 1.00 0.00 O ATOM 609 CB ILE A 39 -3.272 -8.912 -2.978 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.108 -8.402 -2.125 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.467 -7.969 -2.817 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.394 -7.266 -2.861 1.00 0.00 C ATOM 0 H ILE A 39 -1.950 -10.724 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.636 -10.427 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.978 -8.941 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.476 -8.050 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.409 -9.214 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.186 -6.967 -3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.297 -8.327 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.770 -7.941 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.565 -6.903 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.012 -7.633 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.096 -6.452 -3.041 1.00 0.00 H new ATOM 624 N LYS A 40 -5.202 -11.154 -4.195 1.00 0.00 N ATOM 625 CA LYS A 40 -6.546 -11.525 -4.726 1.00 0.00 C ATOM 626 C LYS A 40 -7.218 -12.583 -3.846 1.00 0.00 C ATOM 627 O LYS A 40 -8.401 -12.528 -3.579 1.00 0.00 O ATOM 628 CB LYS A 40 -6.253 -12.111 -6.106 1.00 0.00 C ATOM 629 CG LYS A 40 -7.564 -12.325 -6.862 1.00 0.00 C ATOM 630 CD LYS A 40 -7.311 -12.209 -8.366 1.00 0.00 C ATOM 631 CE LYS A 40 -8.565 -12.636 -9.130 1.00 0.00 C ATOM 632 NZ LYS A 40 -8.058 -13.256 -10.386 1.00 0.00 N ATOM 0 H LYS A 40 -4.429 -11.296 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.222 -10.671 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.604 -11.439 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.721 -13.057 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.976 -13.306 -6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.302 -11.586 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.048 -11.183 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.467 -12.836 -8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.158 -13.344 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.208 -11.782 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.861 -13.575 -10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.503 -12.556 -10.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.455 -14.070 -10.152 1.00 0.00 H new ATOM 646 N ASN A 41 -6.474 -13.564 -3.428 1.00 0.00 N ATOM 647 CA ASN A 41 -7.058 -14.662 -2.597 1.00 0.00 C ATOM 648 C ASN A 41 -7.701 -14.139 -1.302 1.00 0.00 C ATOM 649 O ASN A 41 -8.809 -14.507 -0.966 1.00 0.00 O ATOM 650 CB ASN A 41 -5.873 -15.569 -2.267 1.00 0.00 C ATOM 651 CG ASN A 41 -5.482 -16.371 -3.509 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.000 -17.445 -3.741 1.00 0.00 O ATOM 653 ND2 ASN A 41 -4.582 -15.892 -4.323 1.00 0.00 N ATOM 0 H ASN A 41 -5.478 -13.658 -3.625 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.856 -15.175 -3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.028 -14.971 -1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.134 -16.245 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.314 -16.419 -5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.147 -14.990 -4.129 1.00 0.00 H new ATOM 660 N ALA A 42 -7.017 -13.316 -0.555 1.00 0.00 N ATOM 661 CA ALA A 42 -7.606 -12.821 0.730 1.00 0.00 C ATOM 662 C ALA A 42 -8.795 -11.888 0.487 1.00 0.00 C ATOM 663 O ALA A 42 -9.835 -12.034 1.098 1.00 0.00 O ATOM 664 CB ALA A 42 -6.469 -12.079 1.434 1.00 0.00 C ATOM 0 H ALA A 42 -6.084 -12.965 -0.773 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.994 -13.644 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.825 -11.686 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.641 -12.766 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.129 -11.255 0.807 1.00 0.00 H new ATOM 670 N VAL A 43 -8.660 -10.930 -0.384 1.00 0.00 N ATOM 671 CA VAL A 43 -9.800 -10.000 -0.629 1.00 0.00 C ATOM 672 C VAL A 43 -11.024 -10.787 -1.122 1.00 0.00 C ATOM 673 O VAL A 43 -12.125 -10.600 -0.643 1.00 0.00 O ATOM 674 CB VAL A 43 -9.277 -9.005 -1.682 1.00 0.00 C ATOM 675 CG1 VAL A 43 -10.025 -9.162 -3.010 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.477 -7.582 -1.165 1.00 0.00 C ATOM 0 H VAL A 43 -7.820 -10.750 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.128 -9.477 0.269 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.220 -9.207 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.635 -8.447 -3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.886 -10.175 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.088 -8.976 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.109 -6.871 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.538 -7.405 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.927 -7.453 -0.233 1.00 0.00 H new ATOM 686 N GLU A 44 -10.842 -11.664 -2.071 1.00 0.00 N ATOM 687 CA GLU A 44 -11.999 -12.454 -2.581 1.00 0.00 C ATOM 688 C GLU A 44 -12.662 -13.207 -1.427 1.00 0.00 C ATOM 689 O GLU A 44 -13.871 -13.246 -1.310 1.00 0.00 O ATOM 690 CB GLU A 44 -11.403 -13.434 -3.593 1.00 0.00 C ATOM 691 CG GLU A 44 -11.936 -13.111 -4.990 1.00 0.00 C ATOM 692 CD GLU A 44 -12.894 -14.216 -5.439 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.771 -14.564 -4.666 1.00 0.00 O ATOM 694 OE2 GLU A 44 -12.736 -14.695 -6.551 1.00 0.00 O ATOM 0 H GLU A 44 -9.946 -11.867 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.764 -11.824 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.315 -13.367 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.662 -14.457 -3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.451 -12.150 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.109 -13.023 -5.695 1.00 0.00 H new ATOM 701 N THR A 45 -11.880 -13.799 -0.567 1.00 0.00 N ATOM 702 CA THR A 45 -12.462 -14.541 0.584 1.00 0.00 C ATOM 703 C THR A 45 -12.880 -13.558 1.683 1.00 0.00 C ATOM 704 O THR A 45 -13.779 -13.820 2.457 1.00 0.00 O ATOM 705 CB THR A 45 -11.345 -15.460 1.062 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.308 -16.621 0.242 1.00 0.00 O ATOM 707 CG2 THR A 45 -11.583 -15.871 2.518 1.00 0.00 C ATOM 0 H THR A 45 -10.861 -13.800 -0.613 1.00 0.00 H new ATOM 0 HA THR A 45 -13.355 -15.104 0.314 1.00 0.00 H new ATOM 0 HB THR A 45 -10.395 -14.930 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.589 -17.213 0.546 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.778 -16.528 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.606 -14.982 3.148 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.535 -16.397 2.597 1.00 0.00 H new ATOM 715 N ALA A 46 -12.232 -12.425 1.754 1.00 0.00 N ATOM 716 CA ALA A 46 -12.589 -11.423 2.798 1.00 0.00 C ATOM 717 C ALA A 46 -13.759 -10.559 2.319 1.00 0.00 C ATOM 718 O ALA A 46 -14.819 -10.548 2.913 1.00 0.00 O ATOM 719 CB ALA A 46 -11.331 -10.573 2.977 1.00 0.00 C ATOM 0 H ALA A 46 -11.471 -12.151 1.133 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.900 -11.890 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.513 -9.809 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.505 -11.209 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.077 -10.095 2.031 1.00 0.00 H new ATOM 725 N PHE A 47 -13.575 -9.838 1.247 1.00 0.00 N ATOM 726 CA PHE A 47 -14.680 -8.981 0.731 1.00 0.00 C ATOM 727 C PHE A 47 -15.773 -9.854 0.114 1.00 0.00 C ATOM 728 O PHE A 47 -16.908 -9.444 -0.028 1.00 0.00 O ATOM 729 CB PHE A 47 -14.031 -8.095 -0.333 1.00 0.00 C ATOM 730 CG PHE A 47 -13.263 -6.984 0.341 1.00 0.00 C ATOM 731 CD1 PHE A 47 -13.928 -5.822 0.749 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.887 -7.118 0.558 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.216 -4.792 1.375 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.175 -6.088 1.184 1.00 0.00 C ATOM 735 CZ PHE A 47 -11.839 -4.925 1.593 1.00 0.00 C ATOM 0 H PHE A 47 -12.710 -9.805 0.707 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.150 -8.390 1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.362 -8.688 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.794 -7.678 -0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.990 -5.720 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.375 -8.015 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.729 -3.895 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.113 -6.190 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.289 -4.131 2.076 1.00 0.00 H new ATOM 745 N LYS A 48 -15.434 -11.058 -0.252 1.00 0.00 N ATOM 746 CA LYS A 48 -16.441 -11.974 -0.861 1.00 0.00 C ATOM 747 C LYS A 48 -16.948 -11.395 -2.176 1.00 0.00 C ATOM 748 O LYS A 48 -18.117 -11.471 -2.498 1.00 0.00 O ATOM 749 CB LYS A 48 -17.571 -12.073 0.164 1.00 0.00 C ATOM 750 CG LYS A 48 -16.981 -12.338 1.551 1.00 0.00 C ATOM 751 CD LYS A 48 -17.526 -13.660 2.094 1.00 0.00 C ATOM 752 CE LYS A 48 -16.528 -14.783 1.799 1.00 0.00 C ATOM 753 NZ LYS A 48 -17.310 -15.803 1.046 1.00 0.00 N ATOM 0 H LYS A 48 -14.497 -11.450 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.023 -12.954 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.149 -11.149 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.256 -12.875 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.893 -12.377 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.235 -11.522 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.695 -13.582 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.489 -13.885 1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.685 -14.418 1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.118 -15.199 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.694 -16.606 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.101 -16.136 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.682 -15.380 0.172 1.00 0.00 H new ATOM 767 N VAL A 49 -16.068 -10.822 -2.939 1.00 0.00 N ATOM 768 CA VAL A 49 -16.472 -10.237 -4.240 1.00 0.00 C ATOM 769 C VAL A 49 -15.721 -10.933 -5.377 1.00 0.00 C ATOM 770 O VAL A 49 -15.141 -11.987 -5.201 1.00 0.00 O ATOM 771 CB VAL A 49 -16.088 -8.750 -4.129 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.792 -8.443 -4.893 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.222 -7.906 -4.691 1.00 0.00 C ATOM 0 H VAL A 49 -15.077 -10.733 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.533 -10.359 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.919 -8.514 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.552 -7.384 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.978 -9.040 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.925 -8.686 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.961 -6.850 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.386 -8.167 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.133 -8.095 -4.122 1.00 0.00 H new ATOM 783 N LYS A 50 -15.714 -10.341 -6.532 1.00 0.00 N ATOM 784 CA LYS A 50 -14.984 -10.953 -7.674 1.00 0.00 C ATOM 785 C LYS A 50 -13.801 -10.065 -8.053 1.00 0.00 C ATOM 786 O LYS A 50 -13.967 -9.006 -8.622 1.00 0.00 O ATOM 787 CB LYS A 50 -15.996 -11.021 -8.817 1.00 0.00 C ATOM 788 CG LYS A 50 -15.677 -12.226 -9.701 1.00 0.00 C ATOM 789 CD LYS A 50 -14.735 -11.798 -10.828 1.00 0.00 C ATOM 790 CE LYS A 50 -14.387 -13.014 -11.690 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.092 -13.511 -11.147 1.00 0.00 N ATOM 0 H LYS A 50 -16.182 -9.458 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.590 -11.941 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.007 -11.105 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.960 -10.104 -9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.215 -13.014 -9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.596 -12.638 -10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.207 -11.029 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.827 -11.362 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.162 -13.778 -11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.296 -12.740 -12.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.787 -14.346 -11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.372 -12.764 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.212 -13.770 -10.147 1.00 0.00 H new ATOM 805 N VAL A 51 -12.609 -10.482 -7.733 1.00 0.00 N ATOM 806 CA VAL A 51 -11.419 -9.650 -8.066 1.00 0.00 C ATOM 807 C VAL A 51 -11.067 -9.803 -9.546 1.00 0.00 C ATOM 808 O VAL A 51 -10.971 -10.897 -10.063 1.00 0.00 O ATOM 809 CB VAL A 51 -10.297 -10.201 -7.192 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.958 -9.630 -7.665 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.539 -9.793 -5.737 1.00 0.00 C ATOM 0 H VAL A 51 -12.407 -11.361 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.593 -8.589 -7.888 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.276 -11.288 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.155 -10.022 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.786 -9.917 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.979 -8.543 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.738 -10.186 -5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.558 -8.706 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.494 -10.196 -5.400 1.00 0.00 H new ATOM 821 N VAL A 52 -10.877 -8.709 -10.230 1.00 0.00 N ATOM 822 CA VAL A 52 -10.534 -8.790 -11.676 1.00 0.00 C ATOM 823 C VAL A 52 -9.124 -8.245 -11.918 1.00 0.00 C ATOM 824 O VAL A 52 -8.572 -8.383 -12.991 1.00 0.00 O ATOM 825 CB VAL A 52 -11.587 -7.930 -12.379 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.442 -6.470 -11.973 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.411 -8.044 -13.885 1.00 0.00 C ATOM 0 H VAL A 52 -10.944 -7.765 -9.851 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.537 -9.814 -12.049 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.576 -8.284 -12.088 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.199 -5.874 -12.483 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.573 -6.377 -10.895 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.451 -6.112 -12.250 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.161 -7.432 -14.386 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.415 -7.698 -14.162 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.531 -9.084 -14.188 1.00 0.00 H new ATOM 837 N LYS A 53 -8.534 -7.634 -10.926 1.00 0.00 N ATOM 838 CA LYS A 53 -7.156 -7.087 -11.099 1.00 0.00 C ATOM 839 C LYS A 53 -6.721 -6.350 -9.823 1.00 0.00 C ATOM 840 O LYS A 53 -7.433 -5.511 -9.308 1.00 0.00 O ATOM 841 CB LYS A 53 -7.256 -6.150 -12.326 1.00 0.00 C ATOM 842 CG LYS A 53 -7.191 -4.672 -11.928 1.00 0.00 C ATOM 843 CD LYS A 53 -6.786 -3.836 -13.144 1.00 0.00 C ATOM 844 CE LYS A 53 -6.692 -2.362 -12.742 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.249 -2.134 -12.455 1.00 0.00 N ATOM 0 H LYS A 53 -8.946 -7.490 -10.004 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.402 -7.857 -11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.446 -6.374 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.190 -6.342 -12.854 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.160 -4.342 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.472 -4.533 -11.121 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.827 -4.180 -13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.516 -3.960 -13.943 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.043 -1.711 -13.543 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.307 -2.151 -11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.130 -1.216 -11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.894 -2.891 -11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.713 -2.136 -13.346 1.00 0.00 H new ATOM 859 N VAL A 54 -5.557 -6.656 -9.312 1.00 0.00 N ATOM 860 CA VAL A 54 -5.085 -5.968 -8.076 1.00 0.00 C ATOM 861 C VAL A 54 -3.933 -5.015 -8.411 1.00 0.00 C ATOM 862 O VAL A 54 -3.075 -5.323 -9.214 1.00 0.00 O ATOM 863 CB VAL A 54 -4.632 -7.095 -7.122 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.143 -6.960 -6.772 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.438 -7.011 -5.827 1.00 0.00 C ATOM 0 H VAL A 54 -4.916 -7.350 -9.696 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.864 -5.360 -7.617 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.795 -8.049 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.853 -7.767 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.548 -7.016 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.969 -6.001 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.122 -7.805 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.269 -6.043 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.499 -7.126 -6.051 1.00 0.00 H new ATOM 875 N ASN A 55 -3.896 -3.874 -7.787 1.00 0.00 N ATOM 876 CA ASN A 55 -2.786 -2.924 -8.056 1.00 0.00 C ATOM 877 C ASN A 55 -2.179 -2.462 -6.737 1.00 0.00 C ATOM 878 O ASN A 55 -2.822 -1.816 -5.940 1.00 0.00 O ATOM 879 CB ASN A 55 -3.425 -1.753 -8.803 1.00 0.00 C ATOM 880 CG ASN A 55 -3.045 -1.818 -10.284 1.00 0.00 C ATOM 881 OD1 ASN A 55 -2.816 -2.886 -10.816 1.00 0.00 O ATOM 882 ND2 ASN A 55 -2.968 -0.715 -10.974 1.00 0.00 N ATOM 0 H ASN A 55 -4.585 -3.559 -7.104 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.983 -3.374 -8.640 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.509 -1.787 -8.694 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.091 -0.809 -8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.715 -0.748 -11.962 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.160 0.181 -10.526 1.00 0.00 H new ATOM 889 N THR A 56 -0.944 -2.791 -6.498 1.00 0.00 N ATOM 890 CA THR A 56 -0.309 -2.374 -5.218 1.00 0.00 C ATOM 891 C THR A 56 0.730 -1.281 -5.483 1.00 0.00 C ATOM 892 O THR A 56 1.197 -1.113 -6.592 1.00 0.00 O ATOM 893 CB THR A 56 0.356 -3.636 -4.632 1.00 0.00 C ATOM 894 OG1 THR A 56 1.756 -3.583 -4.870 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.219 -4.908 -5.269 1.00 0.00 C ATOM 0 H THR A 56 -0.348 -3.328 -7.128 1.00 0.00 H new ATOM 0 HA THR A 56 -1.039 -1.963 -4.520 1.00 0.00 H new ATOM 0 HB THR A 56 0.157 -3.666 -3.561 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.978 -4.144 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.268 -5.783 -4.838 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.291 -4.958 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.043 -4.888 -6.344 1.00 0.00 H new ATOM 903 N LEU A 57 1.085 -0.528 -4.479 1.00 0.00 N ATOM 904 CA LEU A 57 2.084 0.562 -4.685 1.00 0.00 C ATOM 905 C LEU A 57 2.916 0.784 -3.421 1.00 0.00 C ATOM 906 O LEU A 57 2.703 0.152 -2.405 1.00 0.00 O ATOM 907 CB LEU A 57 1.244 1.802 -4.991 1.00 0.00 C ATOM 908 CG LEU A 57 0.510 2.244 -3.723 1.00 0.00 C ATOM 909 CD1 LEU A 57 1.207 3.468 -3.129 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.937 2.601 -4.074 1.00 0.00 C ATOM 0 H LEU A 57 0.729 -0.618 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 57 2.788 0.326 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.883 2.607 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.527 1.583 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 57 0.520 1.433 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.684 3.782 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.238 3.215 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.197 4.281 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.463 2.916 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.945 3.413 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.434 1.729 -4.498 1.00 0.00 H new ATOM 922 N HIS A 58 3.861 1.684 -3.475 1.00 0.00 N ATOM 923 CA HIS A 58 4.704 1.956 -2.276 1.00 0.00 C ATOM 924 C HIS A 58 3.910 2.763 -1.253 1.00 0.00 C ATOM 925 O HIS A 58 3.251 3.728 -1.586 1.00 0.00 O ATOM 926 CB HIS A 58 5.887 2.775 -2.794 1.00 0.00 C ATOM 927 CG HIS A 58 7.160 2.249 -2.190 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.306 2.048 -2.943 1.00 0.00 N ATOM 929 CD2 HIS A 58 7.483 1.877 -0.908 1.00 0.00 C ATOM 930 CE1 HIS A 58 9.257 1.575 -2.117 1.00 0.00 C ATOM 931 NE2 HIS A 58 8.808 1.452 -0.864 1.00 0.00 N ATOM 0 H HIS A 58 4.085 2.243 -4.298 1.00 0.00 H new ATOM 0 HA HIS A 58 5.029 1.039 -1.785 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.936 2.717 -3.881 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.756 3.826 -2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.811 1.909 -0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.261 1.325 -2.428 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.325 1.118 -0.050 1.00 0.00 H new ATOM 939 N VAL A 59 3.972 2.384 -0.009 1.00 0.00 N ATOM 940 CA VAL A 59 3.221 3.142 1.032 1.00 0.00 C ATOM 941 C VAL A 59 4.201 3.674 2.077 1.00 0.00 C ATOM 942 O VAL A 59 4.941 2.930 2.689 1.00 0.00 O ATOM 943 CB VAL A 59 2.213 2.159 1.661 1.00 0.00 C ATOM 944 CG1 VAL A 59 0.805 2.519 1.185 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.518 0.712 1.249 1.00 0.00 C ATOM 0 H VAL A 59 4.507 1.586 0.333 1.00 0.00 H new ATOM 0 HA VAL A 59 2.694 3.998 0.610 1.00 0.00 H new ATOM 0 HB VAL A 59 2.288 2.236 2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.085 1.829 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.566 3.537 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.759 2.448 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.791 0.042 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.460 0.623 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.520 0.442 1.582 1.00 0.00 H new ATOM 955 N ARG A 60 4.218 4.965 2.265 1.00 0.00 N ATOM 956 CA ARG A 60 5.155 5.580 3.251 1.00 0.00 C ATOM 957 C ARG A 60 5.297 4.695 4.491 1.00 0.00 C ATOM 958 O ARG A 60 4.415 4.625 5.324 1.00 0.00 O ATOM 959 CB ARG A 60 4.516 6.920 3.616 1.00 0.00 C ATOM 960 CG ARG A 60 4.846 7.951 2.532 1.00 0.00 C ATOM 961 CD ARG A 60 3.843 7.828 1.381 1.00 0.00 C ATOM 962 NE ARG A 60 4.577 7.104 0.303 1.00 0.00 N ATOM 963 CZ ARG A 60 5.326 7.769 -0.533 1.00 0.00 C ATOM 964 NH1 ARG A 60 4.909 8.904 -1.023 1.00 0.00 N ATOM 965 NH2 ARG A 60 6.494 7.299 -0.879 1.00 0.00 N ATOM 0 H ARG A 60 3.618 5.627 1.774 1.00 0.00 H new ATOM 0 HA ARG A 60 6.158 5.700 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.436 6.807 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.886 7.261 4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.812 8.957 2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.859 7.793 2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.954 7.279 1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.510 8.809 1.041 1.00 0.00 H new ATOM 0 HE ARG A 60 4.493 6.091 0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.997 9.272 -0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.495 9.423 -1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.821 6.412 -0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.080 7.819 -1.533 1.00 0.00 H new ATOM 979 N GLY A 61 6.405 4.017 4.615 1.00 0.00 N ATOM 980 CA GLY A 61 6.615 3.135 5.796 1.00 0.00 C ATOM 981 C GLY A 61 7.522 1.969 5.404 1.00 0.00 C ATOM 982 O GLY A 61 7.125 1.077 4.681 1.00 0.00 O ATOM 0 H GLY A 61 7.176 4.036 3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.065 3.702 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.658 2.760 6.158 1.00 0.00 H new ATOM 986 N LYS A 62 8.738 1.968 5.877 1.00 0.00 N ATOM 987 CA LYS A 62 9.670 0.859 5.530 1.00 0.00 C ATOM 988 C LYS A 62 10.106 0.119 6.797 1.00 0.00 C ATOM 989 O LYS A 62 9.487 0.228 7.836 1.00 0.00 O ATOM 990 CB LYS A 62 10.866 1.542 4.870 1.00 0.00 C ATOM 991 CG LYS A 62 11.637 2.347 5.918 1.00 0.00 C ATOM 992 CD LYS A 62 12.592 3.315 5.220 1.00 0.00 C ATOM 993 CE LYS A 62 12.738 4.586 6.061 1.00 0.00 C ATOM 994 NZ LYS A 62 13.364 5.580 5.146 1.00 0.00 N ATOM 0 H LYS A 62 9.126 2.687 6.488 1.00 0.00 H new ATOM 0 HA LYS A 62 9.209 0.120 4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.519 0.797 4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.527 2.199 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.942 2.899 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.196 1.675 6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.565 2.845 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.214 3.564 4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.770 4.935 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.360 4.410 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.497 6.480 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.287 5.223 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.746 5.732 4.323 1.00 0.00 H new ATOM 1008 N LYS A 63 11.168 -0.633 6.718 1.00 0.00 N ATOM 1009 CA LYS A 63 11.644 -1.380 7.918 1.00 0.00 C ATOM 1010 C LYS A 63 12.274 -0.416 8.927 1.00 0.00 C ATOM 1011 O LYS A 63 12.044 0.776 8.888 1.00 0.00 O ATOM 1012 CB LYS A 63 12.691 -2.357 7.383 1.00 0.00 C ATOM 1013 CG LYS A 63 12.021 -3.355 6.436 1.00 0.00 C ATOM 1014 CD LYS A 63 12.350 -4.781 6.879 1.00 0.00 C ATOM 1015 CE LYS A 63 12.901 -5.571 5.691 1.00 0.00 C ATOM 1016 NZ LYS A 63 14.038 -6.357 6.246 1.00 0.00 N ATOM 0 H LYS A 63 11.728 -0.763 5.875 1.00 0.00 H new ATOM 0 HA LYS A 63 10.833 -1.893 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.477 -1.813 6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.166 -2.886 8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.942 -3.203 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.366 -3.192 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.081 -4.762 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.456 -5.267 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.140 -6.225 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.233 -4.906 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.469 -6.926 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.750 -5.708 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.691 -6.986 6.998 1.00 0.00 H new ATOM 1030 N LYS A 64 13.066 -0.924 9.830 1.00 0.00 N ATOM 1031 CA LYS A 64 13.709 -0.036 10.841 1.00 0.00 C ATOM 1032 C LYS A 64 12.641 0.665 11.684 1.00 0.00 C ATOM 1033 O LYS A 64 12.527 1.875 11.677 1.00 0.00 O ATOM 1034 CB LYS A 64 14.504 0.983 10.024 1.00 0.00 C ATOM 1035 CG LYS A 64 15.989 0.876 10.378 1.00 0.00 C ATOM 1036 CD LYS A 64 16.803 1.774 9.446 1.00 0.00 C ATOM 1037 CE LYS A 64 17.049 1.049 8.122 1.00 0.00 C ATOM 1038 NZ LYS A 64 18.457 1.375 7.762 1.00 0.00 N ATOM 0 H LYS A 64 13.296 -1.914 9.912 1.00 0.00 H new ATOM 0 HA LYS A 64 14.345 -0.589 11.532 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.360 0.803 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.142 1.991 10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.148 1.171 11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.322 -0.158 10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.270 2.708 9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.753 2.033 9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.907 -0.027 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.356 1.387 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.701 0.913 6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.560 2.405 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.094 1.035 8.510 1.00 0.00 H new ATOM 1052 N ARG A 65 11.859 -0.085 12.410 1.00 0.00 N ATOM 1053 CA ARG A 65 10.799 0.539 13.253 1.00 0.00 C ATOM 1054 C ARG A 65 11.135 0.376 14.738 1.00 0.00 C ATOM 1055 O ARG A 65 10.466 0.913 15.596 1.00 0.00 O ATOM 1056 CB ARG A 65 9.517 -0.221 12.906 1.00 0.00 C ATOM 1057 CG ARG A 65 9.603 -1.646 13.456 1.00 0.00 C ATOM 1058 CD ARG A 65 8.687 -2.562 12.641 1.00 0.00 C ATOM 1059 NE ARG A 65 8.446 -3.742 13.518 1.00 0.00 N ATOM 1060 CZ ARG A 65 8.027 -4.865 13.001 1.00 0.00 C ATOM 1061 NH1 ARG A 65 8.621 -5.362 11.950 1.00 0.00 N ATOM 1062 NH2 ARG A 65 7.013 -5.491 13.533 1.00 0.00 N ATOM 0 H ARG A 65 11.908 -1.103 12.456 1.00 0.00 H new ATOM 0 HA ARG A 65 10.702 1.609 13.067 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.652 0.291 13.328 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.377 -0.245 11.825 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.631 -2.005 13.407 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.310 -1.661 14.506 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.753 -2.061 12.387 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.157 -2.857 11.702 1.00 0.00 H new ATOM 0 HE ARG A 65 8.608 -3.672 14.523 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.413 -4.873 11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.293 -6.240 11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.547 -5.103 14.353 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.686 -6.368 13.128 1.00 0.00 H new ATOM 1076 N LEU A 66 12.169 -0.362 15.045 1.00 0.00 N ATOM 1077 CA LEU A 66 12.548 -0.560 16.473 1.00 0.00 C ATOM 1078 C LEU A 66 12.431 0.762 17.237 1.00 0.00 C ATOM 1079 O LEU A 66 13.149 1.706 16.976 1.00 0.00 O ATOM 1080 CB LEU A 66 14.003 -1.031 16.435 1.00 0.00 C ATOM 1081 CG LEU A 66 14.050 -2.553 16.578 1.00 0.00 C ATOM 1082 CD1 LEU A 66 13.202 -3.196 15.478 1.00 0.00 C ATOM 1083 CD2 LEU A 66 15.497 -3.032 16.449 1.00 0.00 C ATOM 0 H LEU A 66 12.767 -0.836 14.368 1.00 0.00 H new ATOM 0 HA LEU A 66 11.901 -1.278 16.978 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.470 -0.729 15.498 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.569 -0.562 17.239 1.00 0.00 H new ATOM 0 HG LEU A 66 13.657 -2.838 17.554 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.236 -4.281 15.580 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.171 -2.855 15.567 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.595 -2.911 14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.532 -4.117 16.551 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.889 -2.746 15.473 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.103 -2.575 17.231 1.00 0.00 H new ATOM 1095 N GLY A 67 11.523 0.840 18.172 1.00 0.00 N ATOM 1096 CA GLY A 67 11.350 2.097 18.944 1.00 0.00 C ATOM 1097 C GLY A 67 12.585 2.362 19.811 1.00 0.00 C ATOM 1098 O GLY A 67 12.489 2.495 21.015 1.00 0.00 O ATOM 0 H GLY A 67 10.892 0.082 18.433 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.190 2.932 18.262 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.463 2.026 19.574 1.00 0.00 H new ATOM 1102 N ARG A 68 13.744 2.443 19.214 1.00 0.00 N ATOM 1103 CA ARG A 68 14.974 2.703 20.013 1.00 0.00 C ATOM 1104 C ARG A 68 15.887 3.663 19.268 1.00 0.00 C ATOM 1105 O ARG A 68 17.084 3.711 19.470 1.00 0.00 O ATOM 1106 CB ARG A 68 15.613 1.331 20.185 1.00 0.00 C ATOM 1107 CG ARG A 68 16.527 1.008 18.996 1.00 0.00 C ATOM 1108 CD ARG A 68 17.033 -0.431 19.116 1.00 0.00 C ATOM 1109 NE ARG A 68 18.330 -0.446 18.385 1.00 0.00 N ATOM 1110 CZ ARG A 68 19.452 -0.507 19.049 1.00 0.00 C ATOM 1111 NH1 ARG A 68 19.723 -1.557 19.776 1.00 0.00 N ATOM 1112 NH2 ARG A 68 20.302 0.480 18.985 1.00 0.00 N ATOM 0 H ARG A 68 13.891 2.340 18.210 1.00 0.00 H new ATOM 0 HA ARG A 68 14.769 3.171 20.976 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.188 1.305 21.110 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.837 0.571 20.271 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.983 1.136 18.060 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.369 1.700 18.973 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.165 -0.717 20.159 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.326 -1.136 18.679 1.00 0.00 H new ATOM 0 HE ARG A 68 18.342 -0.409 17.366 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.058 -2.329 19.825 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.600 -1.605 20.295 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.090 1.300 18.416 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.179 0.432 19.504 1.00 0.00 H new ATOM 1126 N TYR A 69 15.306 4.417 18.409 1.00 0.00 N ATOM 1127 CA TYR A 69 16.080 5.402 17.606 1.00 0.00 C ATOM 1128 C TYR A 69 15.138 6.455 17.018 1.00 0.00 C ATOM 1129 O TYR A 69 15.138 6.711 15.829 1.00 0.00 O ATOM 1130 CB TYR A 69 16.718 4.567 16.499 1.00 0.00 C ATOM 1131 CG TYR A 69 17.351 5.477 15.474 1.00 0.00 C ATOM 1132 CD1 TYR A 69 18.491 6.220 15.806 1.00 0.00 C ATOM 1133 CD2 TYR A 69 16.800 5.578 14.191 1.00 0.00 C ATOM 1134 CE1 TYR A 69 19.079 7.064 14.856 1.00 0.00 C ATOM 1135 CE2 TYR A 69 17.387 6.422 13.240 1.00 0.00 C ATOM 1136 CZ TYR A 69 18.526 7.165 13.573 1.00 0.00 C ATOM 1137 OH TYR A 69 19.105 7.997 12.637 1.00 0.00 O ATOM 0 H TYR A 69 14.305 4.402 18.215 1.00 0.00 H new ATOM 0 HA TYR A 69 16.822 5.941 18.195 1.00 0.00 H new ATOM 0 HB2 TYR A 69 17.470 3.900 16.921 1.00 0.00 H new ATOM 0 HB3 TYR A 69 15.965 3.938 16.025 1.00 0.00 H new ATOM 0 HD1 TYR A 69 18.917 6.142 16.795 1.00 0.00 H new ATOM 0 HD2 TYR A 69 15.922 5.005 13.934 1.00 0.00 H new ATOM 0 HE1 TYR A 69 19.958 7.637 15.112 1.00 0.00 H new ATOM 0 HE2 TYR A 69 16.961 6.500 12.250 1.00 0.00 H new ATOM 0 HH TYR A 69 18.599 7.949 11.799 1.00 0.00 H new ATOM 1147 N LEU A 70 14.333 7.064 17.843 1.00 0.00 N ATOM 1148 CA LEU A 70 13.385 8.101 17.341 1.00 0.00 C ATOM 1149 C LEU A 70 12.767 7.653 16.021 1.00 0.00 C ATOM 1150 O LEU A 70 12.571 8.431 15.109 1.00 0.00 O ATOM 1151 CB LEU A 70 14.236 9.345 17.133 1.00 0.00 C ATOM 1152 CG LEU A 70 13.507 10.567 17.692 1.00 0.00 C ATOM 1153 CD1 LEU A 70 14.038 10.883 19.092 1.00 0.00 C ATOM 1154 CD2 LEU A 70 13.747 11.767 16.775 1.00 0.00 C ATOM 0 H LEU A 70 14.290 6.889 18.847 1.00 0.00 H new ATOM 0 HA LEU A 70 12.563 8.279 18.034 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.199 9.226 17.629 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.439 9.485 16.071 1.00 0.00 H new ATOM 0 HG LEU A 70 12.439 10.358 17.747 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.518 11.754 19.490 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.868 10.028 19.747 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.106 11.092 19.037 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.227 12.639 17.173 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.816 11.975 16.720 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.369 11.544 15.777 1.00 0.00 H new ATOM 1166 N GLY A 71 12.463 6.401 15.927 1.00 0.00 N ATOM 1167 CA GLY A 71 11.854 5.864 14.677 1.00 0.00 C ATOM 1168 C GLY A 71 10.542 5.154 15.012 1.00 0.00 C ATOM 1169 O GLY A 71 10.259 4.860 16.158 1.00 0.00 O ATOM 0 H GLY A 71 12.609 5.713 16.666 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.671 6.675 13.972 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.542 5.170 14.194 1.00 0.00 H new ATOM 1173 N LYS A 72 9.736 4.876 14.023 1.00 0.00 N ATOM 1174 CA LYS A 72 8.440 4.185 14.291 1.00 0.00 C ATOM 1175 C LYS A 72 7.665 3.983 12.986 1.00 0.00 C ATOM 1176 O LYS A 72 6.552 4.447 12.838 1.00 0.00 O ATOM 1177 CB LYS A 72 7.678 5.123 15.226 1.00 0.00 C ATOM 1178 CG LYS A 72 7.620 6.523 14.610 1.00 0.00 C ATOM 1179 CD LYS A 72 7.400 7.558 15.714 1.00 0.00 C ATOM 1180 CE LYS A 72 8.647 7.635 16.597 1.00 0.00 C ATOM 1181 NZ LYS A 72 8.347 8.700 17.594 1.00 0.00 N ATOM 0 H LYS A 72 9.917 5.096 13.044 1.00 0.00 H new ATOM 0 HA LYS A 72 8.583 3.198 14.730 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.669 4.746 15.393 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.169 5.162 16.198 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.547 6.736 14.077 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.812 6.577 13.880 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.191 8.534 15.276 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.532 7.286 16.315 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.844 6.681 17.086 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.532 7.881 16.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.157 8.812 18.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.170 9.598 17.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.504 8.435 18.142 1.00 0.00 H new ATOM 1195 N ARG A 73 8.241 3.294 12.039 1.00 0.00 N ATOM 1196 CA ARG A 73 7.529 3.066 10.749 1.00 0.00 C ATOM 1197 C ARG A 73 7.853 1.671 10.204 1.00 0.00 C ATOM 1198 O ARG A 73 8.983 1.384 9.865 1.00 0.00 O ATOM 1199 CB ARG A 73 8.058 4.145 9.805 1.00 0.00 C ATOM 1200 CG ARG A 73 6.965 5.189 9.561 1.00 0.00 C ATOM 1201 CD ARG A 73 5.678 4.490 9.115 1.00 0.00 C ATOM 1202 NE ARG A 73 4.776 4.551 10.298 1.00 0.00 N ATOM 1203 CZ ARG A 73 4.239 5.686 10.658 1.00 0.00 C ATOM 1204 NH1 ARG A 73 4.588 6.795 10.063 1.00 0.00 N ATOM 1205 NH2 ARG A 73 3.351 5.713 11.613 1.00 0.00 N ATOM 0 H ARG A 73 9.171 2.880 12.102 1.00 0.00 H new ATOM 0 HA ARG A 73 6.446 3.120 10.862 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.940 4.620 10.235 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.366 3.698 8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.784 5.760 10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.289 5.898 8.799 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.235 4.991 8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.871 3.459 8.819 1.00 0.00 H new ATOM 0 HE ARG A 73 4.577 3.703 10.829 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.281 6.776 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.167 7.680 10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.076 4.848 12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.931 6.599 11.894 1.00 0.00 H new ATOM 1219 N PRO A 74 6.840 0.848 10.142 1.00 0.00 N ATOM 1220 CA PRO A 74 7.012 -0.532 9.638 1.00 0.00 C ATOM 1221 C PRO A 74 7.020 -0.549 8.110 1.00 0.00 C ATOM 1222 O PRO A 74 7.155 0.470 7.463 1.00 0.00 O ATOM 1223 CB PRO A 74 5.787 -1.260 10.177 1.00 0.00 C ATOM 1224 CG PRO A 74 4.748 -0.200 10.378 1.00 0.00 C ATOM 1225 CD PRO A 74 5.457 1.125 10.534 1.00 0.00 C ATOM 0 HA PRO A 74 7.951 -0.988 9.951 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.442 -2.020 9.476 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.014 -1.770 11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.066 -0.169 9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.148 -0.417 11.261 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.011 1.891 9.900 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.400 1.487 11.560 1.00 0.00 H new ATOM 1233 N ASP A 75 6.859 -1.704 7.532 1.00 0.00 N ATOM 1234 CA ASP A 75 6.837 -1.809 6.052 1.00 0.00 C ATOM 1235 C ASP A 75 5.450 -2.261 5.610 1.00 0.00 C ATOM 1236 O ASP A 75 5.168 -3.437 5.504 1.00 0.00 O ATOM 1237 CB ASP A 75 7.887 -2.866 5.708 1.00 0.00 C ATOM 1238 CG ASP A 75 8.560 -2.506 4.383 1.00 0.00 C ATOM 1239 OD1 ASP A 75 7.882 -2.538 3.369 1.00 0.00 O ATOM 1240 OD2 ASP A 75 9.742 -2.203 4.404 1.00 0.00 O ATOM 0 H ASP A 75 6.741 -2.587 8.028 1.00 0.00 H new ATOM 0 HA ASP A 75 7.052 -0.863 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.632 -2.926 6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.419 -3.848 5.635 1.00 0.00 H new ATOM 1245 N ARG A 76 4.585 -1.331 5.361 1.00 0.00 N ATOM 1246 CA ARG A 76 3.203 -1.687 4.932 1.00 0.00 C ATOM 1247 C ARG A 76 3.094 -1.644 3.406 1.00 0.00 C ATOM 1248 O ARG A 76 3.826 -0.940 2.746 1.00 0.00 O ATOM 1249 CB ARG A 76 2.292 -0.640 5.593 1.00 0.00 C ATOM 1250 CG ARG A 76 2.169 0.615 4.716 1.00 0.00 C ATOM 1251 CD ARG A 76 3.489 1.388 4.724 1.00 0.00 C ATOM 1252 NE ARG A 76 3.818 1.571 6.168 1.00 0.00 N ATOM 1253 CZ ARG A 76 3.075 2.345 6.915 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.889 1.950 7.290 1.00 0.00 N ATOM 1255 NH2 ARG A 76 3.520 3.513 7.292 1.00 0.00 N ATOM 0 H ARG A 76 4.771 -0.331 5.435 1.00 0.00 H new ATOM 0 HA ARG A 76 2.922 -2.697 5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.304 -1.068 5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.693 -0.368 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.909 0.332 3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.364 1.250 5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.274 0.835 4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.388 2.348 4.217 1.00 0.00 H new ATOM 0 HE ARG A 76 4.623 1.092 6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.541 1.036 7.000 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.311 2.555 7.873 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.448 3.822 7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.939 4.116 7.875 1.00 0.00 H new ATOM 1269 N LYS A 77 2.187 -2.396 2.844 1.00 0.00 N ATOM 1270 CA LYS A 77 2.027 -2.398 1.361 1.00 0.00 C ATOM 1271 C LYS A 77 0.585 -2.039 0.989 1.00 0.00 C ATOM 1272 O LYS A 77 -0.351 -2.437 1.651 1.00 0.00 O ATOM 1273 CB LYS A 77 2.360 -3.825 0.923 1.00 0.00 C ATOM 1274 CG LYS A 77 2.691 -3.836 -0.572 1.00 0.00 C ATOM 1275 CD LYS A 77 2.868 -5.278 -1.048 1.00 0.00 C ATOM 1276 CE LYS A 77 2.226 -5.444 -2.427 1.00 0.00 C ATOM 1277 NZ LYS A 77 3.344 -5.259 -3.395 1.00 0.00 N ATOM 0 H LYS A 77 1.548 -3.011 3.349 1.00 0.00 H new ATOM 0 HA LYS A 77 2.673 -1.667 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.206 -4.205 1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.516 -4.485 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.893 -3.352 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.602 -3.267 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.928 -5.529 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.410 -5.966 -0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.769 -6.428 -2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.438 -4.708 -2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.034 -4.636 -4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.157 -4.829 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.622 -6.182 -3.785 1.00 0.00 H new ATOM 1291 N LYS A 78 0.394 -1.291 -0.062 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.993 -0.917 -0.462 1.00 0.00 C ATOM 1293 C LYS A 78 -1.458 -1.809 -1.617 1.00 0.00 C ATOM 1294 O LYS A 78 -0.703 -2.093 -2.521 1.00 0.00 O ATOM 1295 CB LYS A 78 -0.897 0.541 -0.913 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.960 1.372 -0.190 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.321 2.593 -1.039 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.341 3.730 -0.741 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.111 4.978 -0.994 1.00 0.00 N ATOM 0 H LYS A 78 1.134 -0.923 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.710 -1.042 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.096 0.935 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.039 0.609 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.848 0.767 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.587 1.691 0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.286 2.336 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.341 2.911 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.987 3.686 0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.462 3.672 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.505 5.803 -0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.429 4.995 -1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.938 5.009 -0.364 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.686 -2.264 -1.593 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.167 -3.147 -2.701 1.00 0.00 C ATOM 1315 C ALA A 79 -4.531 -2.716 -3.216 1.00 0.00 C ATOM 1316 O ALA A 79 -5.508 -2.741 -2.495 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.308 -4.523 -2.092 1.00 0.00 C ATOM 0 H ALA A 79 -3.370 -2.065 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.471 -3.109 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.658 -5.223 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.341 -4.854 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.026 -4.487 -1.273 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.618 -2.368 -4.466 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.933 -1.975 -5.028 1.00 0.00 C ATOM 1325 C ILE A 80 -6.537 -3.145 -5.802 1.00 0.00 C ATOM 1326 O ILE A 80 -6.066 -3.507 -6.857 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.631 -0.815 -5.968 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.764 0.213 -5.244 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.941 -0.158 -6.401 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -4.577 1.428 -6.146 1.00 0.00 C ATOM 0 H ILE A 80 -3.837 -2.339 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.649 -1.695 -4.255 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.101 -1.186 -6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.235 0.509 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.797 -0.221 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.727 0.672 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.563 -0.891 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.469 0.214 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.959 2.167 -5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.089 1.122 -7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.549 1.864 -6.375 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.578 -3.734 -5.293 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.201 -4.878 -6.013 1.00 0.00 C ATOM 1344 C VAL A 81 -9.386 -4.391 -6.841 1.00 0.00 C ATOM 1345 O VAL A 81 -10.261 -3.711 -6.344 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.674 -5.831 -4.916 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.286 -7.078 -5.557 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.484 -6.239 -4.044 1.00 0.00 C ATOM 0 H VAL A 81 -8.025 -3.476 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.506 -5.361 -6.699 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.421 -5.333 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.624 -7.760 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.133 -6.789 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.537 -7.575 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.822 -6.919 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.736 -6.738 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.045 -5.351 -3.588 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.435 -4.741 -8.095 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.577 -4.299 -8.925 1.00 0.00 C ATOM 1360 C GLN A 82 -11.580 -5.424 -9.021 1.00 0.00 C ATOM 1361 O GLN A 82 -11.231 -6.586 -8.952 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.001 -4.033 -10.310 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.994 -3.210 -11.130 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.501 -1.768 -11.244 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -9.322 -1.504 -11.116 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.360 -0.815 -11.479 1.00 0.00 N ATOM 0 H GLN A 82 -8.737 -5.310 -8.574 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.069 -3.420 -8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.054 -3.499 -10.225 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.791 -4.976 -10.815 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.108 -3.645 -12.123 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.976 -3.232 -10.658 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.350 -1.036 -11.587 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.042 0.151 -11.555 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.812 -5.108 -9.220 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.795 -6.191 -9.366 1.00 0.00 C ATOM 1377 C VAL A 83 -14.440 -6.079 -10.735 1.00 0.00 C ATOM 1378 O VAL A 83 -14.461 -5.027 -11.342 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.828 -6.024 -8.255 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.138 -5.579 -6.965 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.867 -4.983 -8.670 1.00 0.00 C ATOM 0 H VAL A 83 -13.179 -4.159 -9.287 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.332 -7.175 -9.286 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.324 -6.979 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.881 -5.462 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.407 -6.330 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.633 -4.627 -7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.603 -4.866 -7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.373 -4.028 -8.851 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.367 -5.311 -9.581 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.956 -7.146 -11.226 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.592 -7.095 -12.560 1.00 0.00 C ATOM 1393 C ALA A 84 -16.888 -6.290 -12.494 1.00 0.00 C ATOM 1394 O ALA A 84 -17.273 -5.809 -11.448 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.875 -8.545 -12.899 1.00 0.00 C ATOM 0 H ALA A 84 -14.969 -8.057 -10.767 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.964 -6.613 -13.309 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.350 -8.604 -13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.939 -9.104 -12.915 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.539 -8.971 -12.147 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.515 -6.176 -13.626 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.788 -5.427 -13.723 1.00 0.00 C ATOM 1403 C PRO A 85 -19.926 -6.222 -13.079 1.00 0.00 C ATOM 1404 O PRO A 85 -20.004 -7.428 -13.206 1.00 0.00 O ATOM 1405 CB PRO A 85 -19.003 -5.283 -15.226 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.244 -6.408 -15.838 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.099 -6.734 -14.911 1.00 0.00 C ATOM 0 HA PRO A 85 -18.763 -4.467 -13.208 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.062 -5.338 -15.479 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.639 -4.321 -15.586 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.888 -7.277 -15.974 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.873 -6.129 -16.824 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.933 -7.809 -14.844 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.166 -6.288 -15.257 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.806 -5.555 -12.387 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.938 -6.269 -11.734 1.00 0.00 C ATOM 1417 C GLY A 86 -21.741 -6.268 -10.216 1.00 0.00 C ATOM 1418 O GLY A 86 -22.685 -6.152 -9.459 1.00 0.00 O ATOM 0 H GLY A 86 -20.790 -4.545 -12.245 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.881 -5.785 -11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.996 -7.293 -12.102 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.524 -6.398 -9.762 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.274 -6.406 -8.289 1.00 0.00 C ATOM 1424 C GLN A 87 -19.683 -5.070 -7.835 1.00 0.00 C ATOM 1425 O GLN A 87 -19.417 -4.190 -8.632 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.272 -7.536 -8.052 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.105 -7.408 -9.032 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.200 -8.511 -10.087 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.199 -8.954 -10.610 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -19.372 -8.976 -10.426 1.00 0.00 N ATOM 0 H GLN A 87 -19.693 -6.499 -10.344 1.00 0.00 H new ATOM 0 HA GLN A 87 -21.196 -6.553 -7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.904 -7.499 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.762 -8.501 -8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.125 -6.429 -9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.158 -7.482 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.214 -8.605 -9.987 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -19.445 -9.711 -11.130 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.475 -4.917 -6.557 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.900 -3.642 -6.036 1.00 0.00 C ATOM 1441 C LYS A 88 -18.766 -3.712 -4.510 1.00 0.00 C ATOM 1442 O LYS A 88 -19.746 -3.795 -3.796 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.903 -2.561 -6.440 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.320 -3.024 -6.097 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.040 -1.927 -5.313 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.508 -1.871 -5.743 1.00 0.00 C ATOM 1447 NZ LYS A 88 -24.281 -2.186 -4.509 1.00 0.00 N ATOM 0 H LYS A 88 -19.679 -5.621 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.905 -3.441 -6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.678 -1.629 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.824 -2.358 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.870 -3.254 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.282 -3.941 -5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -21.971 -2.125 -4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.561 -0.964 -5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -23.769 -0.887 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.716 -2.591 -6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.299 -2.167 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.017 -3.131 -4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.068 -1.480 -3.776 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.562 -3.680 -4.006 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.369 -3.749 -2.527 1.00 0.00 C ATOM 1463 C ILE A 89 -18.051 -2.561 -1.842 1.00 0.00 C ATOM 1464 O ILE A 89 -17.612 -1.433 -1.949 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.856 -3.693 -2.323 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.222 -4.975 -2.869 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.547 -3.568 -0.829 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.757 -5.048 -2.433 1.00 0.00 C ATOM 0 H ILE A 89 -16.704 -3.609 -4.553 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.806 -4.650 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.449 -2.831 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.765 -5.846 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.290 -4.992 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.468 -3.528 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -16.000 -2.657 -0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.953 -4.430 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.307 -5.961 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.218 -4.184 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.701 -5.051 -1.344 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.124 -2.808 -1.140 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.842 -1.698 -0.446 1.00 0.00 C ATOM 1482 C GLU A 90 -19.113 -1.302 0.843 1.00 0.00 C ATOM 1483 O GLU A 90 -19.381 -0.268 1.423 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.226 -2.263 -0.123 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.091 -3.399 0.892 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.475 -3.971 1.206 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.435 -3.222 1.132 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -22.552 -5.148 1.517 1.00 0.00 O ATOM 0 H GLU A 90 -19.536 -3.733 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.896 -0.801 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.866 -1.477 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.702 -2.629 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.444 -4.181 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.622 -3.031 1.805 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.201 -2.115 1.302 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.469 -1.778 2.558 1.00 0.00 C ATOM 1497 C ALA A 91 -16.817 -0.397 2.441 1.00 0.00 C ATOM 1498 O ALA A 91 -16.631 0.297 3.421 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.401 -2.862 2.701 1.00 0.00 C ATOM 0 H ALA A 91 -17.931 -2.996 0.864 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.133 -1.743 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.819 -2.682 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.880 -3.839 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.741 -2.839 1.834 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.471 0.009 1.251 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.835 1.350 1.076 1.00 0.00 C ATOM 1507 C LEU A 92 -16.844 2.315 0.456 1.00 0.00 C ATOM 1508 O LEU A 92 -16.733 3.517 0.586 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.645 1.151 0.122 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.185 -0.310 0.125 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.920 -0.451 -0.723 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.888 -0.744 1.563 1.00 0.00 C ATOM 0 H LEU A 92 -16.600 -0.526 0.392 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.507 1.764 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.930 1.445 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.820 1.797 0.422 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.971 -0.940 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.594 -1.491 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.131 -0.140 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.132 0.178 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.560 -1.784 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.102 -0.113 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.790 -0.644 2.167 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.828 1.792 -0.223 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.844 2.674 -0.857 1.00 0.00 C ATOM 1526 C GLU A 93 -19.454 3.611 0.187 1.00 0.00 C ATOM 1527 O GLU A 93 -19.948 4.675 -0.131 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.906 1.724 -1.411 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.364 1.021 -2.657 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.612 1.897 -3.886 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -20.642 2.551 -3.926 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -18.769 1.898 -4.768 1.00 0.00 O ATOM 0 H GLU A 93 -17.971 0.792 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.415 3.303 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.180 0.988 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.811 2.278 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.297 0.829 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.851 0.054 -2.782 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.420 3.225 1.433 1.00 0.00 N ATOM 1540 CA GLY A 94 -19.993 4.093 2.499 1.00 0.00 C ATOM 1541 C GLY A 94 -18.868 4.895 3.155 1.00 0.00 C ATOM 1542 O GLY A 94 -19.040 6.041 3.519 1.00 0.00 O ATOM 0 H GLY A 94 -19.020 2.345 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.737 4.768 2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.504 3.484 3.245 1.00 0.00 H new ATOM 1546 N LEU A 95 -17.716 4.301 3.303 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.576 5.029 3.931 1.00 0.00 C ATOM 1548 C LEU A 95 -16.404 6.402 3.277 1.00 0.00 C ATOM 1549 O LEU A 95 -15.994 7.355 3.908 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.353 4.152 3.662 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.007 3.349 4.917 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.272 2.689 5.467 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.982 2.266 4.562 1.00 0.00 C ATOM 0 H LEU A 95 -17.514 3.343 3.016 1.00 0.00 H new ATOM 0 HA LEU A 95 -16.730 5.200 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.554 3.476 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.506 4.773 3.371 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.588 4.016 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.025 2.117 6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.003 3.457 5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.691 2.022 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.734 1.693 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.403 1.600 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.079 2.734 4.169 1.00 0.00 H new ATOM 1565 N ILE A 96 -16.714 6.508 2.013 1.00 0.00 N ATOM 1566 CA ILE A 96 -16.568 7.818 1.314 1.00 0.00 C ATOM 1567 C ILE A 96 -17.360 8.901 2.051 1.00 0.00 C ATOM 1568 O ILE A 96 -16.866 10.013 2.135 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.146 7.587 -0.082 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -18.619 7.188 0.037 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -16.370 6.467 -0.780 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -19.242 7.110 -1.358 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.445 8.600 2.518 1.00 0.00 O ATOM 0 H ILE A 96 -17.062 5.744 1.434 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.532 8.154 1.276 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.062 8.504 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.706 6.225 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -19.156 7.915 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.783 6.303 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -15.321 6.750 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.453 5.549 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -20.291 6.826 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -19.168 8.083 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.712 6.366 -1.952 1.00 0.00 H new TER 1585 ILE A 96