USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=18 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 66:sc= -2.69! USER MOD Set 1.2: A 77 LYS NZ :NH3+ -116:sc= 0.331 (180deg=-0.703) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 176:sc= -1.62! (180deg=-2!) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.356 K(o=-1.3,f=-8.4!) USER MOD Set 3.1: A 3 THR OG1 : rot 60:sc= -0.909! USER MOD Set 3.2: A 45 THR OG1 : rot -58:sc= -2.59! 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 5 TYR OH : rot -39:sc= -4.6! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -130:sc= -5.55! USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= -0.0478 (180deg=-0.323) USER MOD Single : A 26 TYR OH : rot 100:sc= -3.85! USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 31 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-0.53) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -1.38! (180deg=-1.84!) USER MOD Single : A 35 THR OG1 : rot -150:sc= -3! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0495 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.052) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.257) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -11! C(o=-11!,f=-14!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= -0.0132 (180deg=-0.0132) 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+ 166:sc= -1.62! (180deg=-1.89!) USER MOD Single : A 82 GLN : amide:sc= -13! C(o=-13!,f=-13!) USER MOD Single : A 87 GLN : amide:sc= -6.13! C(o=-6.1!,f=-17!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.499 -18.270 8.293 1.00 0.00 N ATOM 2 CA MET A 1 -7.225 -17.744 7.100 1.00 0.00 C ATOM 3 C MET A 1 -6.340 -16.771 6.325 1.00 0.00 C ATOM 4 O MET A 1 -6.086 -15.670 6.770 1.00 0.00 O ATOM 5 CB MET A 1 -8.439 -17.000 7.664 1.00 0.00 C ATOM 6 CG MET A 1 -9.621 -17.148 6.706 1.00 0.00 C ATOM 7 SD MET A 1 -10.992 -17.967 7.559 1.00 0.00 S ATOM 8 CE MET A 1 -11.604 -18.916 6.145 1.00 0.00 C ATOM 0 H1 MET A 1 -7.114 -18.931 8.810 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.639 -18.767 7.985 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.238 -17.480 8.917 1.00 0.00 H new ATOM 0 HA MET A 1 -7.509 -18.543 6.415 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.700 -17.399 8.644 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.200 -15.946 7.803 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.936 -16.168 6.346 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.324 -17.728 5.832 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.467 -19.507 6.450 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.895 -18.233 5.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.818 -19.580 5.785 1.00 0.00 H new ATOM 20 N LYS A 2 -5.890 -17.142 5.157 1.00 0.00 N ATOM 21 CA LYS A 2 -5.054 -16.180 4.379 1.00 0.00 C ATOM 22 C LYS A 2 -5.985 -15.278 3.585 1.00 0.00 C ATOM 23 O LYS A 2 -5.957 -15.234 2.372 1.00 0.00 O ATOM 24 CB LYS A 2 -4.130 -16.966 3.429 1.00 0.00 C ATOM 25 CG LYS A 2 -4.204 -18.475 3.686 1.00 0.00 C ATOM 26 CD LYS A 2 -3.091 -19.182 2.910 1.00 0.00 C ATOM 27 CE LYS A 2 -3.695 -19.928 1.717 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.678 -20.952 1.350 1.00 0.00 N ATOM 0 H LYS A 2 -6.058 -18.046 4.715 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.437 -15.576 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.409 -16.759 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.103 -16.625 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.104 -18.678 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.177 -18.859 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.356 -18.455 2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.566 -19.881 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.645 -20.392 1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.891 -19.251 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.020 -21.505 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.786 -20.480 1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.517 -21.586 2.158 1.00 0.00 H new ATOM 42 N THR A 3 -6.811 -14.558 4.280 1.00 0.00 N ATOM 43 CA THR A 3 -7.764 -13.638 3.603 1.00 0.00 C ATOM 44 C THR A 3 -7.257 -12.208 3.770 1.00 0.00 C ATOM 45 O THR A 3 -6.276 -11.818 3.171 1.00 0.00 O ATOM 46 CB THR A 3 -9.112 -13.841 4.310 1.00 0.00 C ATOM 47 OG1 THR A 3 -9.948 -12.721 4.056 1.00 0.00 O ATOM 48 CG2 THR A 3 -8.901 -13.981 5.820 1.00 0.00 C ATOM 0 H THR A 3 -6.870 -14.565 5.298 1.00 0.00 H new ATOM 0 HA THR A 3 -7.863 -13.832 2.535 1.00 0.00 H new ATOM 0 HB THR A 3 -9.580 -14.749 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.098 -12.637 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.864 -14.124 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.261 -14.840 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.428 -13.078 6.207 1.00 0.00 H new ATOM 56 N ALA A 4 -7.881 -11.433 4.606 1.00 0.00 N ATOM 57 CA ALA A 4 -7.389 -10.052 4.830 1.00 0.00 C ATOM 58 C ALA A 4 -6.269 -10.086 5.873 1.00 0.00 C ATOM 59 O ALA A 4 -5.647 -9.090 6.173 1.00 0.00 O ATOM 60 CB ALA A 4 -8.602 -9.305 5.343 1.00 0.00 C ATOM 0 H ALA A 4 -8.708 -11.695 5.142 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.977 -9.580 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.334 -8.267 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.394 -9.341 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.952 -9.769 6.265 1.00 0.00 H new ATOM 66 N TYR A 5 -6.010 -11.251 6.404 1.00 0.00 N ATOM 67 CA TYR A 5 -4.925 -11.437 7.407 1.00 0.00 C ATOM 68 C TYR A 5 -3.588 -10.901 6.862 1.00 0.00 C ATOM 69 O TYR A 5 -3.531 -9.901 6.177 1.00 0.00 O ATOM 70 CB TYR A 5 -4.848 -12.968 7.543 1.00 0.00 C ATOM 71 CG TYR A 5 -4.097 -13.530 6.343 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.442 -13.123 5.047 1.00 0.00 C ATOM 73 CD2 TYR A 5 -3.028 -14.414 6.533 1.00 0.00 C ATOM 74 CE1 TYR A 5 -3.730 -13.594 3.947 1.00 0.00 C ATOM 75 CE2 TYR A 5 -2.314 -14.895 5.426 1.00 0.00 C ATOM 76 CZ TYR A 5 -2.664 -14.483 4.133 1.00 0.00 C ATOM 77 OH TYR A 5 -1.960 -14.958 3.045 1.00 0.00 O ATOM 0 H TYR A 5 -6.521 -12.104 6.176 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.114 -10.916 8.345 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.339 -13.240 8.468 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.850 -13.393 7.594 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.265 -12.440 4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.754 -14.725 7.530 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.000 -13.274 2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.494 -15.583 5.570 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.579 -15.132 2.306 1.00 0.00 H new ATOM 87 N ASP A 6 -2.522 -11.606 7.150 1.00 0.00 N ATOM 88 CA ASP A 6 -1.169 -11.231 6.654 1.00 0.00 C ATOM 89 C ASP A 6 -1.244 -10.460 5.334 1.00 0.00 C ATOM 90 O ASP A 6 -0.827 -9.325 5.241 1.00 0.00 O ATOM 91 CB ASP A 6 -0.496 -12.583 6.415 1.00 0.00 C ATOM 92 CG ASP A 6 1.007 -12.383 6.220 1.00 0.00 C ATOM 93 OD1 ASP A 6 1.392 -11.307 5.792 1.00 0.00 O ATOM 94 OD2 ASP A 6 1.749 -13.309 6.503 1.00 0.00 O ATOM 0 H ASP A 6 -2.538 -12.449 7.725 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.640 -10.585 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.678 -13.245 7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.926 -13.064 5.536 1.00 0.00 H new ATOM 99 N VAL A 7 -1.756 -11.081 4.308 1.00 0.00 N ATOM 100 CA VAL A 7 -1.837 -10.398 2.986 1.00 0.00 C ATOM 101 C VAL A 7 -2.469 -9.005 3.121 1.00 0.00 C ATOM 102 O VAL A 7 -1.830 -8.069 3.556 1.00 0.00 O ATOM 103 CB VAL A 7 -2.700 -11.312 2.114 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.900 -10.675 0.746 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.004 -12.653 1.923 1.00 0.00 C ATOM 0 H VAL A 7 -2.122 -12.033 4.328 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.850 -10.239 2.552 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.662 -11.458 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.515 -11.328 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.397 -9.712 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.932 -10.528 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.624 -13.299 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.041 -12.497 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.849 -13.124 2.894 1.00 0.00 H new ATOM 115 N ILE A 8 -3.710 -8.857 2.737 1.00 0.00 N ATOM 116 CA ILE A 8 -4.365 -7.518 2.821 1.00 0.00 C ATOM 117 C ILE A 8 -4.929 -7.266 4.222 1.00 0.00 C ATOM 118 O ILE A 8 -6.078 -7.552 4.498 1.00 0.00 O ATOM 119 CB ILE A 8 -5.497 -7.583 1.798 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.968 -8.159 0.487 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.038 -6.180 1.541 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.054 -8.055 -0.584 1.00 0.00 C ATOM 0 H ILE A 8 -4.298 -9.605 2.369 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.663 -6.708 2.623 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.293 -8.218 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.077 -7.617 0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.676 -9.200 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.846 -6.230 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.417 -5.760 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.239 -5.547 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.680 -8.465 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.933 -8.617 -0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.324 -7.009 -0.728 1.00 0.00 H new ATOM 134 N LEU A 9 -4.137 -6.719 5.103 1.00 0.00 N ATOM 135 CA LEU A 9 -4.630 -6.438 6.481 1.00 0.00 C ATOM 136 C LEU A 9 -5.900 -5.578 6.430 1.00 0.00 C ATOM 137 O LEU A 9 -6.994 -6.084 6.281 1.00 0.00 O ATOM 138 CB LEU A 9 -3.489 -5.680 7.162 1.00 0.00 C ATOM 139 CG LEU A 9 -2.528 -6.679 7.808 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.095 -6.359 7.378 1.00 0.00 C ATOM 141 CD2 LEU A 9 -2.636 -6.575 9.332 1.00 0.00 C ATOM 0 H LEU A 9 -3.168 -6.454 4.928 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.892 -7.349 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.958 -5.068 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.888 -5.002 7.917 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.786 -7.689 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.410 -7.071 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.016 -6.429 6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.837 -5.349 7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.952 -7.286 9.795 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.376 -5.564 9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.657 -6.800 9.641 1.00 0.00 H new ATOM 153 N ALA A 10 -5.766 -4.283 6.555 1.00 0.00 N ATOM 154 CA ALA A 10 -6.971 -3.402 6.516 1.00 0.00 C ATOM 155 C ALA A 10 -7.011 -2.602 5.210 1.00 0.00 C ATOM 156 O ALA A 10 -6.026 -2.509 4.506 1.00 0.00 O ATOM 157 CB ALA A 10 -6.807 -2.460 7.710 1.00 0.00 C ATOM 0 H ALA A 10 -4.877 -3.799 6.682 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.898 -3.974 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.655 -1.777 7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.763 -3.043 8.630 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.886 -1.888 7.599 1.00 0.00 H new ATOM 163 N PRO A 11 -8.160 -2.045 4.936 1.00 0.00 N ATOM 164 CA PRO A 11 -8.344 -1.235 3.710 1.00 0.00 C ATOM 165 C PRO A 11 -7.783 0.176 3.917 1.00 0.00 C ATOM 166 O PRO A 11 -7.694 0.661 5.028 1.00 0.00 O ATOM 167 CB PRO A 11 -9.858 -1.191 3.538 1.00 0.00 C ATOM 168 CG PRO A 11 -10.422 -1.398 4.910 1.00 0.00 C ATOM 169 CD PRO A 11 -9.386 -2.126 5.734 1.00 0.00 C ATOM 0 HA PRO A 11 -7.830 -1.646 2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.178 -0.236 3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.198 -1.967 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.670 -0.441 5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.345 -1.976 4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.256 -1.659 6.710 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.676 -3.161 5.912 1.00 0.00 H new ATOM 177 N VAL A 12 -7.406 0.842 2.858 1.00 0.00 N ATOM 178 CA VAL A 12 -6.856 2.222 3.001 1.00 0.00 C ATOM 179 C VAL A 12 -7.783 3.236 2.327 1.00 0.00 C ATOM 180 O VAL A 12 -7.927 3.253 1.121 1.00 0.00 O ATOM 181 CB VAL A 12 -5.501 2.188 2.295 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.638 1.460 0.960 1.00 0.00 C ATOM 183 CG2 VAL A 12 -5.018 3.619 2.046 1.00 0.00 C ATOM 0 H VAL A 12 -7.455 0.491 1.902 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.764 2.520 4.046 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.780 1.664 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.671 1.436 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.981 0.440 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.360 1.983 0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.052 3.594 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.740 4.143 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.918 4.140 2.998 1.00 0.00 H new ATOM 193 N LEU A 13 -8.411 4.083 3.095 1.00 0.00 N ATOM 194 CA LEU A 13 -9.324 5.094 2.492 1.00 0.00 C ATOM 195 C LEU A 13 -8.645 6.465 2.445 1.00 0.00 C ATOM 196 O LEU A 13 -8.422 7.095 3.460 1.00 0.00 O ATOM 197 CB LEU A 13 -10.545 5.127 3.413 1.00 0.00 C ATOM 198 CG LEU A 13 -11.284 3.786 3.344 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.384 3.319 1.889 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.517 2.742 4.160 1.00 0.00 C ATOM 0 H LEU A 13 -8.332 4.119 4.111 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.595 4.843 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.233 5.329 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.213 5.936 3.118 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.288 3.908 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.910 2.365 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.930 4.060 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.383 3.198 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.040 1.787 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.513 2.626 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.451 3.068 5.198 1.00 0.00 H new ATOM 212 N SER A 14 -8.320 6.932 1.272 1.00 0.00 N ATOM 213 CA SER A 14 -7.660 8.262 1.152 1.00 0.00 C ATOM 214 C SER A 14 -8.137 8.970 -0.119 1.00 0.00 C ATOM 215 O SER A 14 -8.679 8.354 -1.015 1.00 0.00 O ATOM 216 CB SER A 14 -6.166 7.958 1.069 1.00 0.00 C ATOM 217 OG SER A 14 -5.565 8.205 2.333 1.00 0.00 O ATOM 0 H SER A 14 -8.483 6.449 0.389 1.00 0.00 H new ATOM 0 HA SER A 14 -7.893 8.918 1.990 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.010 6.920 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.699 8.578 0.304 1.00 0.00 H new ATOM 0 HG SER A 14 -4.606 8.009 2.283 1.00 0.00 H new ATOM 223 N GLU A 15 -7.942 10.257 -0.204 1.00 0.00 N ATOM 224 CA GLU A 15 -8.388 11.000 -1.418 1.00 0.00 C ATOM 225 C GLU A 15 -8.041 10.205 -2.680 1.00 0.00 C ATOM 226 O GLU A 15 -8.909 9.757 -3.402 1.00 0.00 O ATOM 227 CB GLU A 15 -7.611 12.317 -1.385 1.00 0.00 C ATOM 228 CG GLU A 15 -7.997 13.107 -0.134 1.00 0.00 C ATOM 229 CD GLU A 15 -7.431 14.525 -0.231 1.00 0.00 C ATOM 230 OE1 GLU A 15 -6.242 14.651 -0.471 1.00 0.00 O ATOM 231 OE2 GLU A 15 -8.197 15.460 -0.064 1.00 0.00 O ATOM 0 H GLU A 15 -7.494 10.827 0.514 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.466 11.163 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.539 12.119 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.828 12.902 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.082 13.143 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.611 12.610 0.756 1.00 0.00 H new ATOM 238 N LYS A 16 -6.777 10.027 -2.950 1.00 0.00 N ATOM 239 CA LYS A 16 -6.370 9.264 -4.163 1.00 0.00 C ATOM 240 C LYS A 16 -6.887 7.825 -4.085 1.00 0.00 C ATOM 241 O LYS A 16 -6.898 7.105 -5.065 1.00 0.00 O ATOM 242 CB LYS A 16 -4.842 9.287 -4.150 1.00 0.00 C ATOM 243 CG LYS A 16 -4.327 9.888 -5.458 1.00 0.00 C ATOM 244 CD LYS A 16 -2.856 9.514 -5.649 1.00 0.00 C ATOM 245 CE LYS A 16 -2.048 9.983 -4.436 1.00 0.00 C ATOM 246 NZ LYS A 16 -1.402 8.750 -3.904 1.00 0.00 N ATOM 0 H LYS A 16 -6.007 10.378 -2.381 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.777 9.696 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.484 9.873 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.454 8.276 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.918 9.520 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.438 10.972 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.757 8.435 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.468 9.974 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.304 10.727 -4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.692 10.446 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.830 8.990 -3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.135 8.063 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.790 8.335 -4.636 1.00 0.00 H new ATOM 260 N ALA A 17 -7.311 7.397 -2.928 1.00 0.00 N ATOM 261 CA ALA A 17 -7.820 6.003 -2.789 1.00 0.00 C ATOM 262 C ALA A 17 -9.352 5.990 -2.798 1.00 0.00 C ATOM 263 O ALA A 17 -9.975 5.078 -2.292 1.00 0.00 O ATOM 264 CB ALA A 17 -7.287 5.520 -1.440 1.00 0.00 C ATOM 0 H ALA A 17 -7.327 7.952 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.495 5.363 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.619 4.497 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.197 5.551 -1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.664 6.167 -0.647 1.00 0.00 H new ATOM 270 N TYR A 18 -9.962 6.990 -3.372 1.00 0.00 N ATOM 271 CA TYR A 18 -11.453 7.023 -3.415 1.00 0.00 C ATOM 272 C TYR A 18 -11.930 7.405 -4.819 1.00 0.00 C ATOM 273 O TYR A 18 -12.769 6.745 -5.399 1.00 0.00 O ATOM 274 CB TYR A 18 -11.860 8.087 -2.394 1.00 0.00 C ATOM 275 CG TYR A 18 -12.215 7.417 -1.086 1.00 0.00 C ATOM 276 CD1 TYR A 18 -12.983 6.246 -1.082 1.00 0.00 C ATOM 277 CD2 TYR A 18 -11.773 7.966 0.124 1.00 0.00 C ATOM 278 CE1 TYR A 18 -13.311 5.625 0.130 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.101 7.345 1.335 1.00 0.00 C ATOM 280 CZ TYR A 18 -12.870 6.175 1.338 1.00 0.00 C ATOM 281 OH TYR A 18 -13.194 5.564 2.531 1.00 0.00 O ATOM 0 H TYR A 18 -9.496 7.783 -3.812 1.00 0.00 H new ATOM 0 HA TYR A 18 -11.896 6.054 -3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.044 8.794 -2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.711 8.657 -2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.323 5.821 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.179 8.868 0.123 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -13.904 4.722 0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.760 7.769 2.268 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.564 6.229 3.149 1.00 0.00 H new ATOM 291 N ALA A 19 -11.396 8.459 -5.377 1.00 0.00 N ATOM 292 CA ALA A 19 -11.816 8.868 -6.748 1.00 0.00 C ATOM 293 C ALA A 19 -11.430 7.772 -7.744 1.00 0.00 C ATOM 294 O ALA A 19 -12.143 7.490 -8.685 1.00 0.00 O ATOM 295 CB ALA A 19 -11.046 10.157 -7.034 1.00 0.00 C ATOM 0 H ALA A 19 -10.689 9.053 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.892 9.021 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.303 10.521 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.310 10.911 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.975 9.960 -6.985 1.00 0.00 H new ATOM 301 N GLY A 20 -10.317 7.131 -7.513 1.00 0.00 N ATOM 302 CA GLY A 20 -9.887 6.024 -8.411 1.00 0.00 C ATOM 303 C GLY A 20 -10.505 4.748 -7.867 1.00 0.00 C ATOM 304 O GLY A 20 -10.904 3.864 -8.596 1.00 0.00 O ATOM 0 H GLY A 20 -9.685 7.328 -6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.216 6.207 -9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.800 5.947 -8.435 1.00 0.00 H new ATOM 308 N PHE A 21 -10.613 4.676 -6.572 1.00 0.00 N ATOM 309 CA PHE A 21 -11.234 3.495 -5.929 1.00 0.00 C ATOM 310 C PHE A 21 -12.746 3.539 -6.179 1.00 0.00 C ATOM 311 O PHE A 21 -13.468 2.611 -5.872 1.00 0.00 O ATOM 312 CB PHE A 21 -10.885 3.673 -4.439 1.00 0.00 C ATOM 313 CG PHE A 21 -12.038 3.278 -3.535 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.215 4.039 -3.513 1.00 0.00 C ATOM 315 CD2 PHE A 21 -11.920 2.155 -2.711 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.271 3.672 -2.671 1.00 0.00 C ATOM 317 CE2 PHE A 21 -12.974 1.789 -1.867 1.00 0.00 C ATOM 318 CZ PHE A 21 -14.151 2.548 -1.848 1.00 0.00 C ATOM 0 H PHE A 21 -10.292 5.397 -5.926 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.886 2.533 -6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.011 3.069 -4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.616 4.713 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.307 4.909 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -11.013 1.569 -2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.179 4.257 -2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.880 0.922 -1.230 1.00 0.00 H new ATOM 0 HZ PHE A 21 -14.966 2.265 -1.198 1.00 0.00 H new ATOM 328 N ALA A 22 -13.225 4.628 -6.718 1.00 0.00 N ATOM 329 CA ALA A 22 -14.676 4.767 -6.974 1.00 0.00 C ATOM 330 C ALA A 22 -15.083 3.995 -8.233 1.00 0.00 C ATOM 331 O ALA A 22 -16.246 3.733 -8.466 1.00 0.00 O ATOM 332 CB ALA A 22 -14.889 6.266 -7.173 1.00 0.00 C ATOM 0 H ALA A 22 -12.661 5.433 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.278 4.366 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.943 6.461 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.583 6.800 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.293 6.609 -8.019 1.00 0.00 H new ATOM 338 N GLU A 23 -14.132 3.638 -9.050 1.00 0.00 N ATOM 339 CA GLU A 23 -14.452 2.891 -10.301 1.00 0.00 C ATOM 340 C GLU A 23 -14.458 1.383 -10.039 1.00 0.00 C ATOM 341 O GLU A 23 -14.365 0.585 -10.951 1.00 0.00 O ATOM 342 CB GLU A 23 -13.325 3.259 -11.267 1.00 0.00 C ATOM 343 CG GLU A 23 -13.908 3.990 -12.478 1.00 0.00 C ATOM 344 CD GLU A 23 -15.089 3.194 -13.036 1.00 0.00 C ATOM 345 OE1 GLU A 23 -14.868 2.087 -13.498 1.00 0.00 O ATOM 346 OE2 GLU A 23 -16.196 3.707 -12.992 1.00 0.00 O ATOM 0 H GLU A 23 -13.141 3.832 -8.905 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.437 3.144 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.593 3.892 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.800 2.360 -11.590 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.233 4.990 -12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.143 4.112 -13.245 1.00 0.00 H new ATOM 353 N GLY A 24 -14.545 0.986 -8.802 1.00 0.00 N ATOM 354 CA GLY A 24 -14.535 -0.459 -8.481 1.00 0.00 C ATOM 355 C GLY A 24 -13.141 -0.844 -7.981 1.00 0.00 C ATOM 356 O GLY A 24 -12.894 -1.967 -7.590 1.00 0.00 O ATOM 0 H GLY A 24 -14.623 1.607 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.283 -0.682 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.794 -1.043 -9.364 1.00 0.00 H new ATOM 360 N LYS A 25 -12.232 0.093 -7.989 1.00 0.00 N ATOM 361 CA LYS A 25 -10.849 -0.185 -7.514 1.00 0.00 C ATOM 362 C LYS A 25 -10.802 -0.081 -5.988 1.00 0.00 C ATOM 363 O LYS A 25 -11.378 0.816 -5.405 1.00 0.00 O ATOM 364 CB LYS A 25 -10.000 0.917 -8.154 1.00 0.00 C ATOM 365 CG LYS A 25 -9.625 0.517 -9.581 1.00 0.00 C ATOM 366 CD LYS A 25 -8.281 1.147 -9.951 1.00 0.00 C ATOM 367 CE LYS A 25 -7.607 0.312 -11.042 1.00 0.00 C ATOM 368 NZ LYS A 25 -6.216 0.839 -11.125 1.00 0.00 N ATOM 0 H LYS A 25 -12.392 1.049 -8.308 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.497 -1.182 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.553 1.856 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.099 1.084 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.564 -0.568 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.397 0.846 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.431 2.169 -10.301 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.639 1.202 -9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.613 -0.748 -10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.126 0.415 -11.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.800 0.577 -12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.231 1.875 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.645 0.433 -10.357 1.00 0.00 H new ATOM 382 N TYR A 26 -10.137 -0.986 -5.326 1.00 0.00 N ATOM 383 CA TYR A 26 -10.088 -0.902 -3.841 1.00 0.00 C ATOM 384 C TYR A 26 -8.645 -0.941 -3.325 1.00 0.00 C ATOM 385 O TYR A 26 -7.964 -1.944 -3.405 1.00 0.00 O ATOM 386 CB TYR A 26 -10.888 -2.103 -3.338 1.00 0.00 C ATOM 387 CG TYR A 26 -12.322 -1.986 -3.804 1.00 0.00 C ATOM 388 CD1 TYR A 26 -13.232 -1.200 -3.084 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.743 -2.666 -4.953 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.562 -1.094 -3.514 1.00 0.00 C ATOM 391 CE2 TYR A 26 -14.071 -2.559 -5.383 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.980 -1.774 -4.664 1.00 0.00 C ATOM 393 OH TYR A 26 -16.289 -1.671 -5.088 1.00 0.00 O ATOM 0 H TYR A 26 -9.632 -1.769 -5.742 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.505 0.038 -3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.448 -3.028 -3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.851 -2.148 -2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.908 -0.676 -2.197 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.043 -3.273 -5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -15.263 -0.489 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.395 -3.083 -6.270 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.346 -1.021 -5.819 1.00 0.00 H new ATOM 403 N THR A 27 -8.192 0.155 -2.776 1.00 0.00 N ATOM 404 CA THR A 27 -6.817 0.229 -2.222 1.00 0.00 C ATOM 405 C THR A 27 -6.810 -0.361 -0.818 1.00 0.00 C ATOM 406 O THR A 27 -7.614 -0.001 0.019 1.00 0.00 O ATOM 407 CB THR A 27 -6.491 1.723 -2.188 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.958 2.334 -3.384 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.980 1.917 -2.073 1.00 0.00 C ATOM 0 H THR A 27 -8.731 1.016 -2.689 1.00 0.00 H new ATOM 0 HA THR A 27 -6.087 -0.327 -2.810 1.00 0.00 H new ATOM 0 HB THR A 27 -6.979 2.181 -1.328 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.752 3.292 -3.364 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.751 2.982 -2.049 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.622 1.448 -1.157 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.488 1.459 -2.931 1.00 0.00 H new ATOM 417 N PHE A 28 -5.931 -1.280 -0.556 1.00 0.00 N ATOM 418 CA PHE A 28 -5.908 -1.904 0.793 1.00 0.00 C ATOM 419 C PHE A 28 -4.547 -1.759 1.472 1.00 0.00 C ATOM 420 O PHE A 28 -3.512 -1.824 0.839 1.00 0.00 O ATOM 421 CB PHE A 28 -6.155 -3.385 0.539 1.00 0.00 C ATOM 422 CG PHE A 28 -7.476 -3.602 -0.149 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.599 -2.861 0.230 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.574 -4.561 -1.161 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.825 -3.081 -0.407 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.800 -4.784 -1.797 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.926 -4.044 -1.420 1.00 0.00 C ATOM 0 H PHE A 28 -5.230 -1.626 -1.212 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.644 -1.431 1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.351 -3.791 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.140 -3.927 1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.520 -2.121 1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.703 -5.130 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.694 -2.508 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.877 -5.526 -2.578 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.873 -4.215 -1.910 1.00 0.00 H new ATOM 437 N TRP A 29 -4.543 -1.643 2.773 1.00 0.00 N ATOM 438 CA TRP A 29 -3.253 -1.588 3.506 1.00 0.00 C ATOM 439 C TRP A 29 -2.830 -3.038 3.717 1.00 0.00 C ATOM 440 O TRP A 29 -3.578 -3.824 4.263 1.00 0.00 O ATOM 441 CB TRP A 29 -3.559 -0.918 4.847 1.00 0.00 C ATOM 442 CG TRP A 29 -3.451 0.566 4.716 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.356 1.452 5.190 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.398 1.352 4.089 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.929 2.732 4.889 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.726 2.724 4.211 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.202 1.013 3.431 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.897 3.722 3.700 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.365 2.016 2.915 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.712 3.368 3.049 1.00 0.00 C ATOM 0 H TRP A 29 -5.378 -1.584 3.356 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.466 -1.041 2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.561 -1.190 5.178 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.865 -1.275 5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.264 1.201 5.718 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.440 3.579 5.137 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.925 -0.025 3.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.169 4.762 3.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.551 1.744 2.412 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.065 4.135 2.650 1.00 0.00 H new ATOM 461 N VAL A 30 -1.681 -3.430 3.263 1.00 0.00 N ATOM 462 CA VAL A 30 -1.310 -4.861 3.430 1.00 0.00 C ATOM 463 C VAL A 30 0.141 -5.029 3.833 1.00 0.00 C ATOM 464 O VAL A 30 0.960 -4.148 3.663 1.00 0.00 O ATOM 465 CB VAL A 30 -1.527 -5.494 2.044 1.00 0.00 C ATOM 466 CG1 VAL A 30 -2.767 -4.913 1.392 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.339 -5.197 1.131 1.00 0.00 C ATOM 0 H VAL A 30 -0.994 -2.841 2.793 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.907 -5.324 4.216 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.637 -6.570 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.910 -5.368 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.636 -5.117 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.647 -3.836 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.508 -5.651 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.230 -4.119 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.570 -5.609 1.571 1.00 0.00 H new ATOM 477 N HIS A 31 0.474 -6.188 4.308 1.00 0.00 N ATOM 478 CA HIS A 31 1.881 -6.453 4.647 1.00 0.00 C ATOM 479 C HIS A 31 2.661 -6.317 3.349 1.00 0.00 C ATOM 480 O HIS A 31 2.231 -6.813 2.327 1.00 0.00 O ATOM 481 CB HIS A 31 1.890 -7.895 5.145 1.00 0.00 C ATOM 482 CG HIS A 31 2.812 -8.018 6.326 1.00 0.00 C ATOM 483 ND1 HIS A 31 2.344 -8.259 7.608 1.00 0.00 N ATOM 484 CD2 HIS A 31 4.178 -7.935 6.435 1.00 0.00 C ATOM 485 CE1 HIS A 31 3.411 -8.312 8.426 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.554 -8.121 7.761 1.00 0.00 N ATOM 0 H HIS A 31 -0.171 -6.961 4.475 1.00 0.00 H new ATOM 0 HA HIS A 31 2.312 -5.787 5.394 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.882 -8.199 5.426 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.214 -8.563 4.347 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.857 -7.753 5.615 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.351 -8.487 9.490 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.499 -8.113 8.144 1.00 0.00 H new ATOM 494 N PRO A 32 3.758 -5.634 3.398 1.00 0.00 N ATOM 495 CA PRO A 32 4.544 -5.435 2.166 1.00 0.00 C ATOM 496 C PRO A 32 5.056 -6.782 1.669 1.00 0.00 C ATOM 497 O PRO A 32 6.206 -7.133 1.837 1.00 0.00 O ATOM 498 CB PRO A 32 5.675 -4.515 2.610 1.00 0.00 C ATOM 499 CG PRO A 32 5.785 -4.739 4.084 1.00 0.00 C ATOM 500 CD PRO A 32 4.384 -5.011 4.566 1.00 0.00 C ATOM 0 HA PRO A 32 3.980 -5.006 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.608 -4.759 2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.451 -3.473 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.444 -5.579 4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.207 -3.866 4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.375 -5.673 5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.872 -4.095 4.860 1.00 0.00 H new ATOM 508 N LYS A 33 4.184 -7.546 1.082 1.00 0.00 N ATOM 509 CA LYS A 33 4.567 -8.894 0.588 1.00 0.00 C ATOM 510 C LYS A 33 3.348 -9.569 -0.042 1.00 0.00 C ATOM 511 O LYS A 33 3.466 -10.328 -0.982 1.00 0.00 O ATOM 512 CB LYS A 33 5.018 -9.659 1.836 1.00 0.00 C ATOM 513 CG LYS A 33 4.091 -9.326 3.012 1.00 0.00 C ATOM 514 CD LYS A 33 3.479 -10.616 3.562 1.00 0.00 C ATOM 515 CE LYS A 33 2.357 -11.084 2.631 1.00 0.00 C ATOM 516 NZ LYS A 33 1.622 -12.122 3.405 1.00 0.00 N ATOM 0 H LYS A 33 3.210 -7.291 0.921 1.00 0.00 H new ATOM 0 HA LYS A 33 5.350 -8.859 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.003 -10.731 1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.046 -9.394 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.650 -8.813 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.303 -8.647 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.244 -11.388 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.087 -10.447 4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.701 -10.258 2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.758 -11.493 1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.985 -12.643 2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.302 -12.783 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.064 -11.666 4.155 1.00 0.00 H new ATOM 530 N ALA A 34 2.177 -9.288 0.477 1.00 0.00 N ATOM 531 CA ALA A 34 0.930 -9.894 -0.078 1.00 0.00 C ATOM 532 C ALA A 34 1.023 -9.968 -1.604 1.00 0.00 C ATOM 533 O ALA A 34 0.690 -9.030 -2.302 1.00 0.00 O ATOM 534 CB ALA A 34 -0.181 -8.932 0.334 1.00 0.00 C ATOM 0 H ALA A 34 2.033 -8.660 1.267 1.00 0.00 H new ATOM 0 HA ALA A 34 0.758 -10.907 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.138 -9.302 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.214 -8.859 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.015 -7.947 -0.090 1.00 0.00 H new ATOM 540 N THR A 35 1.488 -11.066 -2.129 1.00 0.00 N ATOM 541 CA THR A 35 1.619 -11.188 -3.609 1.00 0.00 C ATOM 542 C THR A 35 0.346 -10.709 -4.307 1.00 0.00 C ATOM 543 O THR A 35 -0.753 -10.965 -3.856 1.00 0.00 O ATOM 544 CB THR A 35 1.842 -12.678 -3.864 1.00 0.00 C ATOM 545 OG1 THR A 35 1.375 -13.422 -2.748 1.00 0.00 O ATOM 546 CG2 THR A 35 3.334 -12.938 -4.069 1.00 0.00 C ATOM 0 H THR A 35 1.783 -11.885 -1.598 1.00 0.00 H new ATOM 0 HA THR A 35 2.434 -10.578 -3.998 1.00 0.00 H new ATOM 0 HB THR A 35 1.296 -12.984 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.901 -14.244 -2.660 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.497 -14.000 -4.251 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.689 -12.365 -4.925 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.882 -12.635 -3.177 1.00 0.00 H new ATOM 554 N LYS A 36 0.486 -10.022 -5.411 1.00 0.00 N ATOM 555 CA LYS A 36 -0.721 -9.538 -6.142 1.00 0.00 C ATOM 556 C LYS A 36 -1.763 -10.653 -6.190 1.00 0.00 C ATOM 557 O LYS A 36 -2.930 -10.441 -5.926 1.00 0.00 O ATOM 558 CB LYS A 36 -0.226 -9.196 -7.547 1.00 0.00 C ATOM 559 CG LYS A 36 0.507 -7.851 -7.518 1.00 0.00 C ATOM 560 CD LYS A 36 -0.011 -6.961 -8.649 1.00 0.00 C ATOM 561 CE LYS A 36 0.075 -5.492 -8.226 1.00 0.00 C ATOM 562 NZ LYS A 36 0.082 -4.725 -9.503 1.00 0.00 N ATOM 0 H LYS A 36 1.380 -9.776 -5.836 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.188 -8.677 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.441 -9.978 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.067 -9.149 -8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.352 -7.362 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.580 -8.008 -7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.576 -7.125 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.042 -7.222 -8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.772 -5.211 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.977 -5.300 -7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.071 -3.706 -9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.939 -4.959 -10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.759 -4.974 -10.062 1.00 0.00 H new ATOM 576 N THR A 37 -1.345 -11.849 -6.505 1.00 0.00 N ATOM 577 CA THR A 37 -2.307 -12.983 -6.543 1.00 0.00 C ATOM 578 C THR A 37 -2.917 -13.174 -5.156 1.00 0.00 C ATOM 579 O THR A 37 -4.117 -13.270 -4.999 1.00 0.00 O ATOM 580 CB THR A 37 -1.479 -14.196 -6.933 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.550 -13.832 -7.946 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.401 -15.301 -7.448 1.00 0.00 C ATOM 0 H THR A 37 -0.381 -12.088 -6.737 1.00 0.00 H new ATOM 0 HA THR A 37 -3.126 -12.817 -7.243 1.00 0.00 H new ATOM 0 HB THR A 37 -0.935 -14.560 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.015 -14.614 -8.196 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.806 -16.170 -7.727 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.106 -15.580 -6.665 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.949 -14.941 -8.319 1.00 0.00 H new ATOM 590 N GLU A 38 -2.094 -13.212 -4.143 1.00 0.00 N ATOM 591 CA GLU A 38 -2.624 -13.379 -2.762 1.00 0.00 C ATOM 592 C GLU A 38 -3.593 -12.239 -2.450 1.00 0.00 C ATOM 593 O GLU A 38 -4.666 -12.450 -1.922 1.00 0.00 O ATOM 594 CB GLU A 38 -1.397 -13.311 -1.852 1.00 0.00 C ATOM 595 CG GLU A 38 -0.914 -14.728 -1.537 1.00 0.00 C ATOM 596 CD GLU A 38 -0.554 -14.827 -0.053 1.00 0.00 C ATOM 597 OE1 GLU A 38 0.483 -14.305 0.320 1.00 0.00 O ATOM 598 OE2 GLU A 38 -1.322 -15.424 0.683 1.00 0.00 O ATOM 0 H GLU A 38 -1.079 -13.135 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.168 -14.314 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.602 -12.744 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.645 -12.786 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.691 -15.452 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.046 -14.972 -2.150 1.00 0.00 H new ATOM 605 N ILE A 39 -3.230 -11.033 -2.791 1.00 0.00 N ATOM 606 CA ILE A 39 -4.141 -9.887 -2.533 1.00 0.00 C ATOM 607 C ILE A 39 -5.474 -10.158 -3.233 1.00 0.00 C ATOM 608 O ILE A 39 -6.527 -9.759 -2.779 1.00 0.00 O ATOM 609 CB ILE A 39 -3.424 -8.673 -3.135 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.305 -8.236 -2.186 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.407 -7.514 -3.327 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.623 -6.981 -2.732 1.00 0.00 C ATOM 0 H ILE A 39 -2.344 -10.794 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.357 -9.726 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.010 -8.947 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.713 -8.037 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.576 -9.038 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.883 -6.660 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.207 -7.823 -4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.831 -7.233 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.828 -6.674 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.200 -7.195 -3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.355 -6.178 -2.820 1.00 0.00 H new ATOM 624 N LYS A 40 -5.430 -10.864 -4.327 1.00 0.00 N ATOM 625 CA LYS A 40 -6.685 -11.196 -5.053 1.00 0.00 C ATOM 626 C LYS A 40 -7.534 -12.133 -4.195 1.00 0.00 C ATOM 627 O LYS A 40 -8.720 -11.937 -4.017 1.00 0.00 O ATOM 628 CB LYS A 40 -6.219 -11.919 -6.317 1.00 0.00 C ATOM 629 CG LYS A 40 -7.376 -12.017 -7.309 1.00 0.00 C ATOM 630 CD LYS A 40 -6.822 -12.154 -8.729 1.00 0.00 C ATOM 631 CE LYS A 40 -7.933 -11.869 -9.743 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.324 -12.165 -11.070 1.00 0.00 N ATOM 0 H LYS A 40 -4.576 -11.226 -4.751 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.289 -10.317 -5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.385 -11.382 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.858 -12.916 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.004 -12.875 -7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.006 -11.131 -7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.995 -11.460 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.426 -13.158 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.806 -12.496 -9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.267 -10.833 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.024 -11.994 -11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.500 -11.549 -11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.022 -13.160 -11.099 1.00 0.00 H new ATOM 646 N ASN A 41 -6.923 -13.154 -3.664 1.00 0.00 N ATOM 647 CA ASN A 41 -7.667 -14.123 -2.812 1.00 0.00 C ATOM 648 C ASN A 41 -7.985 -13.512 -1.444 1.00 0.00 C ATOM 649 O ASN A 41 -9.008 -13.795 -0.856 1.00 0.00 O ATOM 650 CB ASN A 41 -6.724 -15.316 -2.657 1.00 0.00 C ATOM 651 CG ASN A 41 -6.308 -15.824 -4.038 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.146 -16.106 -4.872 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.040 -15.955 -4.318 1.00 0.00 N ATOM 0 H ASN A 41 -5.931 -13.361 -3.785 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.622 -14.406 -3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.843 -15.024 -2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.217 -16.112 -2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.753 -16.294 -5.236 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.336 -15.719 -3.619 1.00 0.00 H new ATOM 660 N ALA A 42 -7.116 -12.687 -0.919 1.00 0.00 N ATOM 661 CA ALA A 42 -7.389 -12.092 0.421 1.00 0.00 C ATOM 662 C ALA A 42 -8.714 -11.323 0.403 1.00 0.00 C ATOM 663 O ALA A 42 -9.565 -11.525 1.247 1.00 0.00 O ATOM 664 CB ALA A 42 -6.213 -11.155 0.709 1.00 0.00 C ATOM 0 H ALA A 42 -6.239 -12.403 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.481 -12.856 1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.353 -10.684 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.285 -11.726 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.163 -10.386 -0.062 1.00 0.00 H new ATOM 670 N VAL A 43 -8.909 -10.450 -0.549 1.00 0.00 N ATOM 671 CA VAL A 43 -10.199 -9.695 -0.594 1.00 0.00 C ATOM 672 C VAL A 43 -11.329 -10.615 -1.067 1.00 0.00 C ATOM 673 O VAL A 43 -12.447 -10.526 -0.602 1.00 0.00 O ATOM 674 CB VAL A 43 -9.998 -8.536 -1.578 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.204 -7.425 -0.894 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.246 -9.011 -2.825 1.00 0.00 C ATOM 0 H VAL A 43 -8.243 -10.228 -1.289 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.473 -9.320 0.392 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.975 -8.160 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.059 -6.599 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.752 -7.071 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.233 -7.811 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.113 -8.174 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.270 -9.401 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.819 -9.797 -3.318 1.00 0.00 H new ATOM 686 N GLU A 44 -11.047 -11.506 -1.978 1.00 0.00 N ATOM 687 CA GLU A 44 -12.112 -12.430 -2.460 1.00 0.00 C ATOM 688 C GLU A 44 -12.679 -13.216 -1.277 1.00 0.00 C ATOM 689 O GLU A 44 -13.853 -13.520 -1.222 1.00 0.00 O ATOM 690 CB GLU A 44 -11.412 -13.367 -3.447 1.00 0.00 C ATOM 691 CG GLU A 44 -11.975 -13.141 -4.852 1.00 0.00 C ATOM 692 CD GLU A 44 -13.175 -14.065 -5.075 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.541 -14.764 -4.146 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.707 -14.056 -6.174 1.00 0.00 O ATOM 0 H GLU A 44 -10.131 -11.634 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.944 -11.905 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.338 -13.183 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.560 -14.404 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.276 -12.100 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.207 -13.338 -5.599 1.00 0.00 H new ATOM 701 N THR A 45 -11.846 -13.538 -0.326 1.00 0.00 N ATOM 702 CA THR A 45 -12.324 -14.296 0.865 1.00 0.00 C ATOM 703 C THR A 45 -13.023 -13.350 1.844 1.00 0.00 C ATOM 704 O THR A 45 -14.075 -13.650 2.374 1.00 0.00 O ATOM 705 CB THR A 45 -11.056 -14.868 1.504 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.282 -13.801 2.032 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.234 -15.618 0.458 1.00 0.00 C ATOM 0 H THR A 45 -10.852 -13.308 -0.322 1.00 0.00 H new ATOM 0 HA THR A 45 -13.039 -15.074 0.598 1.00 0.00 H new ATOM 0 HB THR A 45 -11.334 -15.559 2.300 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.071 -13.165 1.317 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.334 -16.021 0.923 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.827 -16.435 0.047 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.953 -14.934 -0.343 1.00 0.00 H new ATOM 715 N ALA A 46 -12.435 -12.212 2.096 1.00 0.00 N ATOM 716 CA ALA A 46 -13.047 -11.243 3.053 1.00 0.00 C ATOM 717 C ALA A 46 -14.162 -10.434 2.379 1.00 0.00 C ATOM 718 O ALA A 46 -15.288 -10.420 2.835 1.00 0.00 O ATOM 719 CB ALA A 46 -11.898 -10.323 3.468 1.00 0.00 C ATOM 0 H ALA A 46 -11.554 -11.910 1.680 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.504 -11.748 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.265 -9.578 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.112 -10.913 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.497 -9.821 2.587 1.00 0.00 H new ATOM 725 N PHE A 47 -13.862 -9.753 1.305 1.00 0.00 N ATOM 726 CA PHE A 47 -14.917 -8.944 0.626 1.00 0.00 C ATOM 727 C PHE A 47 -15.922 -9.864 -0.074 1.00 0.00 C ATOM 728 O PHE A 47 -17.043 -9.484 -0.349 1.00 0.00 O ATOM 729 CB PHE A 47 -14.168 -8.084 -0.392 1.00 0.00 C ATOM 730 CG PHE A 47 -13.637 -6.850 0.299 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.465 -6.121 1.159 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.318 -6.438 0.080 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.974 -4.978 1.802 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.826 -5.294 0.722 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.655 -4.565 1.584 1.00 0.00 C ATOM 0 H PHE A 47 -12.940 -9.721 0.871 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.485 -8.334 1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.348 -8.651 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.834 -7.801 -1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.483 -6.440 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.679 -7.002 -0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.613 -4.415 2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.808 -4.975 0.552 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.276 -3.684 2.081 1.00 0.00 H new ATOM 745 N LYS A 48 -15.528 -11.073 -0.357 1.00 0.00 N ATOM 746 CA LYS A 48 -16.454 -12.029 -1.030 1.00 0.00 C ATOM 747 C LYS A 48 -16.933 -11.457 -2.361 1.00 0.00 C ATOM 748 O LYS A 48 -18.098 -11.521 -2.697 1.00 0.00 O ATOM 749 CB LYS A 48 -17.624 -12.202 -0.062 1.00 0.00 C ATOM 750 CG LYS A 48 -17.700 -13.661 0.389 1.00 0.00 C ATOM 751 CD LYS A 48 -17.912 -14.560 -0.830 1.00 0.00 C ATOM 752 CE LYS A 48 -18.833 -15.722 -0.453 1.00 0.00 C ATOM 753 NZ LYS A 48 -18.395 -16.855 -1.315 1.00 0.00 N ATOM 0 H LYS A 48 -14.600 -11.443 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.971 -12.980 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.495 -11.549 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.556 -11.911 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.782 -13.941 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.518 -13.792 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.349 -13.986 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.955 -14.941 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.741 -15.972 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.879 -15.471 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.981 -17.691 -1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.500 -16.591 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.398 -17.076 -1.118 1.00 0.00 H new ATOM 767 N VAL A 49 -16.037 -10.902 -3.120 1.00 0.00 N ATOM 768 CA VAL A 49 -16.420 -10.328 -4.431 1.00 0.00 C ATOM 769 C VAL A 49 -15.587 -10.972 -5.542 1.00 0.00 C ATOM 770 O VAL A 49 -14.954 -11.992 -5.349 1.00 0.00 O ATOM 771 CB VAL A 49 -16.124 -8.826 -4.289 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.833 -8.430 -5.018 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.293 -8.037 -4.860 1.00 0.00 C ATOM 0 H VAL A 49 -15.048 -10.821 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.463 -10.505 -4.694 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.990 -8.601 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.658 -7.361 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.994 -8.986 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.929 -8.662 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.093 -6.970 -4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.422 -8.289 -5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.202 -8.286 -4.313 1.00 0.00 H new ATOM 783 N LYS A 50 -15.571 -10.374 -6.694 1.00 0.00 N ATOM 784 CA LYS A 50 -14.764 -10.935 -7.812 1.00 0.00 C ATOM 785 C LYS A 50 -13.648 -9.958 -8.175 1.00 0.00 C ATOM 786 O LYS A 50 -13.886 -8.916 -8.752 1.00 0.00 O ATOM 787 CB LYS A 50 -15.738 -11.100 -8.979 1.00 0.00 C ATOM 788 CG LYS A 50 -15.275 -12.258 -9.864 1.00 0.00 C ATOM 789 CD LYS A 50 -14.369 -11.723 -10.975 1.00 0.00 C ATOM 790 CE LYS A 50 -14.413 -12.675 -12.173 1.00 0.00 C ATOM 791 NZ LYS A 50 -15.472 -12.121 -13.064 1.00 0.00 N ATOM 0 H LYS A 50 -16.082 -9.519 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.296 -11.884 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.743 -11.293 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.786 -10.179 -9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.738 -12.994 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.137 -12.766 -10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.694 -10.727 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.346 -11.627 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.450 -12.715 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.651 -13.692 -11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.754 -12.842 -13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.298 -11.848 -12.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.104 -11.286 -13.563 1.00 0.00 H new ATOM 805 N VAL A 51 -12.432 -10.279 -7.835 1.00 0.00 N ATOM 806 CA VAL A 51 -11.310 -9.358 -8.158 1.00 0.00 C ATOM 807 C VAL A 51 -10.932 -9.491 -9.631 1.00 0.00 C ATOM 808 O VAL A 51 -10.545 -10.548 -10.092 1.00 0.00 O ATOM 809 CB VAL A 51 -10.156 -9.810 -7.266 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.897 -9.017 -7.625 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.515 -9.558 -5.799 1.00 0.00 C ATOM 0 H VAL A 51 -12.168 -11.136 -7.349 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.569 -8.313 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.974 -10.874 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.071 -9.338 -6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.641 -9.194 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.081 -7.954 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.691 -9.881 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.696 -8.494 -5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.413 -10.120 -5.543 1.00 0.00 H new ATOM 821 N VAL A 52 -11.041 -8.428 -10.372 1.00 0.00 N ATOM 822 CA VAL A 52 -10.690 -8.487 -11.815 1.00 0.00 C ATOM 823 C VAL A 52 -9.325 -7.836 -12.051 1.00 0.00 C ATOM 824 O VAL A 52 -8.834 -7.784 -13.161 1.00 0.00 O ATOM 825 CB VAL A 52 -11.799 -7.711 -12.525 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.627 -6.212 -12.297 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.729 -7.990 -14.016 1.00 0.00 C ATOM 0 H VAL A 52 -11.359 -7.518 -10.040 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.616 -9.510 -12.185 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.762 -8.028 -12.124 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.424 -5.672 -12.809 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.672 -5.999 -11.229 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.662 -5.893 -12.690 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.518 -7.439 -14.527 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.759 -7.674 -14.400 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.859 -9.058 -14.193 1.00 0.00 H new ATOM 837 N LYS A 53 -8.706 -7.348 -11.011 1.00 0.00 N ATOM 838 CA LYS A 53 -7.370 -6.711 -11.171 1.00 0.00 C ATOM 839 C LYS A 53 -6.872 -6.197 -9.812 1.00 0.00 C ATOM 840 O LYS A 53 -7.630 -5.690 -9.011 1.00 0.00 O ATOM 841 CB LYS A 53 -7.590 -5.571 -12.188 1.00 0.00 C ATOM 842 CG LYS A 53 -7.680 -4.208 -11.492 1.00 0.00 C ATOM 843 CD LYS A 53 -6.297 -3.557 -11.459 1.00 0.00 C ATOM 844 CE LYS A 53 -6.165 -2.577 -12.628 1.00 0.00 C ATOM 845 NZ LYS A 53 -4.858 -2.906 -13.261 1.00 0.00 N ATOM 0 H LYS A 53 -9.068 -7.363 -10.058 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.605 -7.401 -11.527 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.771 -5.560 -12.907 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.506 -5.755 -12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.384 -3.564 -12.020 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.060 -4.331 -10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.152 -3.034 -10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.522 -4.321 -11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.986 -2.693 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.187 -1.544 -12.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.696 -2.275 -14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.094 -2.780 -12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.869 -3.893 -13.588 1.00 0.00 H new ATOM 859 N VAL A 54 -5.605 -6.327 -9.552 1.00 0.00 N ATOM 860 CA VAL A 54 -5.055 -5.840 -8.255 1.00 0.00 C ATOM 861 C VAL A 54 -3.764 -5.054 -8.494 1.00 0.00 C ATOM 862 O VAL A 54 -2.841 -5.535 -9.123 1.00 0.00 O ATOM 863 CB VAL A 54 -4.802 -7.105 -7.411 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.459 -7.012 -6.675 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.912 -7.242 -6.371 1.00 0.00 C ATOM 0 H VAL A 54 -4.923 -6.750 -10.181 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.738 -5.162 -7.743 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.785 -7.967 -8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.303 -7.916 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.653 -6.908 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.466 -6.145 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.739 -8.135 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.915 -6.365 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.875 -7.324 -6.875 1.00 0.00 H new ATOM 875 N ASN A 55 -3.681 -3.865 -7.978 1.00 0.00 N ATOM 876 CA ASN A 55 -2.439 -3.071 -8.154 1.00 0.00 C ATOM 877 C ASN A 55 -1.999 -2.513 -6.805 1.00 0.00 C ATOM 878 O ASN A 55 -2.675 -1.702 -6.205 1.00 0.00 O ATOM 879 CB ASN A 55 -2.812 -1.942 -9.115 1.00 0.00 C ATOM 880 CG ASN A 55 -1.539 -1.330 -9.703 1.00 0.00 C ATOM 881 OD1 ASN A 55 -0.691 -2.037 -10.212 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.367 -0.038 -9.653 1.00 0.00 N ATOM 0 H ASN A 55 -4.419 -3.408 -7.442 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.613 -3.665 -8.545 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.447 -2.325 -9.914 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.386 -1.179 -8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.521 0.379 -10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.079 0.555 -9.226 1.00 0.00 H new ATOM 889 N THR A 56 -0.869 -2.940 -6.325 1.00 0.00 N ATOM 890 CA THR A 56 -0.386 -2.433 -5.011 1.00 0.00 C ATOM 891 C THR A 56 0.919 -1.662 -5.209 1.00 0.00 C ATOM 892 O THR A 56 1.689 -1.946 -6.105 1.00 0.00 O ATOM 893 CB THR A 56 -0.166 -3.666 -4.107 1.00 0.00 C ATOM 894 OG1 THR A 56 1.123 -3.588 -3.517 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.275 -4.973 -4.904 1.00 0.00 C ATOM 0 H THR A 56 -0.258 -3.617 -6.783 1.00 0.00 H new ATOM 0 HA THR A 56 -1.105 -1.754 -4.554 1.00 0.00 H new ATOM 0 HB THR A 56 -0.940 -3.668 -3.339 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.157 -2.824 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.115 -5.820 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.267 -5.045 -5.351 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.479 -4.983 -5.691 1.00 0.00 H new ATOM 903 N LEU A 57 1.167 -0.678 -4.391 1.00 0.00 N ATOM 904 CA LEU A 57 2.416 0.121 -4.551 1.00 0.00 C ATOM 905 C LEU A 57 3.148 0.253 -3.213 1.00 0.00 C ATOM 906 O LEU A 57 2.634 -0.106 -2.172 1.00 0.00 O ATOM 907 CB LEU A 57 1.941 1.492 -5.039 1.00 0.00 C ATOM 908 CG LEU A 57 0.730 1.940 -4.219 1.00 0.00 C ATOM 909 CD1 LEU A 57 0.709 3.466 -4.128 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.553 1.453 -4.900 1.00 0.00 C ATOM 0 H LEU A 57 0.562 -0.392 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 57 3.116 -0.345 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.746 2.221 -4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.678 1.442 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 57 0.795 1.518 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.154 3.784 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.622 3.814 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.644 3.889 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.417 1.771 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.616 1.876 -5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.540 0.365 -4.965 1.00 0.00 H new ATOM 922 N HIS A 58 4.348 0.772 -3.235 1.00 0.00 N ATOM 923 CA HIS A 58 5.116 0.934 -1.968 1.00 0.00 C ATOM 924 C HIS A 58 4.644 2.187 -1.226 1.00 0.00 C ATOM 925 O HIS A 58 4.790 3.295 -1.703 1.00 0.00 O ATOM 926 CB HIS A 58 6.573 1.085 -2.404 1.00 0.00 C ATOM 927 CG HIS A 58 7.449 1.231 -1.189 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.817 1.014 -1.235 1.00 0.00 N ATOM 929 CD2 HIS A 58 7.168 1.569 0.113 1.00 0.00 C ATOM 930 CE1 HIS A 58 9.304 1.222 0.001 1.00 0.00 C ATOM 931 NE2 HIS A 58 8.341 1.563 0.863 1.00 0.00 N ATOM 0 H HIS A 58 4.828 1.090 -4.077 1.00 0.00 H new ATOM 0 HA HIS A 58 4.981 0.091 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.881 0.216 -2.985 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.682 1.956 -3.050 1.00 0.00 H new ATOM 0 HD1 HIS A 58 9.357 0.745 -2.058 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.186 1.804 0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.347 1.125 0.265 1.00 0.00 H new ATOM 939 N VAL A 59 4.075 2.018 -0.067 1.00 0.00 N ATOM 940 CA VAL A 59 3.587 3.198 0.707 1.00 0.00 C ATOM 941 C VAL A 59 4.304 3.273 2.056 1.00 0.00 C ATOM 942 O VAL A 59 4.485 2.278 2.727 1.00 0.00 O ATOM 943 CB VAL A 59 2.077 2.988 0.925 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.309 4.124 0.252 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.608 1.651 0.331 1.00 0.00 C ATOM 0 H VAL A 59 3.925 1.114 0.381 1.00 0.00 H new ATOM 0 HA VAL A 59 3.783 4.127 0.172 1.00 0.00 H new ATOM 0 HB VAL A 59 1.886 2.977 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.239 3.980 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.612 5.076 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.527 4.128 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.538 1.533 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.808 1.639 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.144 0.832 0.810 1.00 0.00 H new ATOM 955 N ARG A 60 4.707 4.445 2.462 1.00 0.00 N ATOM 956 CA ARG A 60 5.408 4.580 3.771 1.00 0.00 C ATOM 957 C ARG A 60 5.046 5.914 4.429 1.00 0.00 C ATOM 958 O ARG A 60 4.744 6.884 3.764 1.00 0.00 O ATOM 959 CB ARG A 60 6.899 4.535 3.429 1.00 0.00 C ATOM 960 CG ARG A 60 7.243 3.174 2.820 1.00 0.00 C ATOM 961 CD ARG A 60 6.990 2.070 3.851 1.00 0.00 C ATOM 962 NE ARG A 60 7.266 0.799 3.126 1.00 0.00 N ATOM 963 CZ ARG A 60 8.079 -0.082 3.640 1.00 0.00 C ATOM 964 NH1 ARG A 60 9.225 0.297 4.134 1.00 0.00 N ATOM 965 NH2 ARG A 60 7.747 -1.344 3.659 1.00 0.00 N ATOM 0 H ARG A 60 4.582 5.315 1.945 1.00 0.00 H new ATOM 0 HA ARG A 60 5.128 3.795 4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.146 5.332 2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.494 4.704 4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.638 3.000 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.286 3.159 2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.643 2.181 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.964 2.100 4.219 1.00 0.00 H new ATOM 0 HE ARG A 60 6.819 0.617 2.227 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.486 1.283 4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.860 -0.393 4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.852 -1.642 3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.383 -2.033 4.061 1.00 0.00 H new ATOM 979 N GLY A 61 5.073 5.967 5.734 1.00 0.00 N ATOM 980 CA GLY A 61 4.729 7.236 6.435 1.00 0.00 C ATOM 981 C GLY A 61 5.671 8.350 5.976 1.00 0.00 C ATOM 982 O GLY A 61 6.839 8.364 6.310 1.00 0.00 O ATOM 0 H GLY A 61 5.318 5.187 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.695 7.511 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.809 7.100 7.514 1.00 0.00 H new ATOM 986 N LYS A 62 5.173 9.286 5.215 1.00 0.00 N ATOM 987 CA LYS A 62 6.040 10.401 4.738 1.00 0.00 C ATOM 988 C LYS A 62 6.125 11.497 5.803 1.00 0.00 C ATOM 989 O LYS A 62 5.711 12.619 5.587 1.00 0.00 O ATOM 990 CB LYS A 62 5.352 10.928 3.478 1.00 0.00 C ATOM 991 CG LYS A 62 6.155 12.100 2.909 1.00 0.00 C ATOM 992 CD LYS A 62 6.702 11.723 1.531 1.00 0.00 C ATOM 993 CE LYS A 62 8.143 12.222 1.399 1.00 0.00 C ATOM 994 NZ LYS A 62 8.990 11.042 1.728 1.00 0.00 N ATOM 0 H LYS A 62 4.203 9.327 4.903 1.00 0.00 H new ATOM 0 HA LYS A 62 7.060 10.074 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.272 10.134 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.337 11.249 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.522 12.984 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.975 12.353 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.667 10.642 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.081 12.161 0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.345 12.584 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.338 13.050 2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.994 11.305 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.781 10.724 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.788 10.272 1.059 1.00 0.00 H new ATOM 1008 N LYS A 63 6.658 11.181 6.951 1.00 0.00 N ATOM 1009 CA LYS A 63 6.768 12.204 8.030 1.00 0.00 C ATOM 1010 C LYS A 63 8.228 12.628 8.212 1.00 0.00 C ATOM 1011 O LYS A 63 9.067 11.844 8.609 1.00 0.00 O ATOM 1012 CB LYS A 63 6.250 11.509 9.289 1.00 0.00 C ATOM 1013 CG LYS A 63 6.055 12.541 10.401 1.00 0.00 C ATOM 1014 CD LYS A 63 4.837 12.159 11.244 1.00 0.00 C ATOM 1015 CE LYS A 63 4.573 13.249 12.286 1.00 0.00 C ATOM 1016 NZ LYS A 63 5.409 12.871 13.459 1.00 0.00 N ATOM 0 H LYS A 63 7.022 10.258 7.189 1.00 0.00 H new ATOM 0 HA LYS A 63 6.202 13.107 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.307 11.005 9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.955 10.742 9.610 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.945 12.587 11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.916 13.533 9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.964 12.034 10.604 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.009 11.203 11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.848 14.233 11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.517 13.293 12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.282 13.572 14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.120 11.933 13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.410 12.844 13.178 1.00 0.00 H new ATOM 1030 N LYS A 64 8.537 13.863 7.924 1.00 0.00 N ATOM 1031 CA LYS A 64 9.942 14.336 8.082 1.00 0.00 C ATOM 1032 C LYS A 64 10.905 13.375 7.380 1.00 0.00 C ATOM 1033 O LYS A 64 11.606 12.611 8.013 1.00 0.00 O ATOM 1034 CB LYS A 64 10.192 14.340 9.590 1.00 0.00 C ATOM 1035 CG LYS A 64 11.463 15.139 9.895 1.00 0.00 C ATOM 1036 CD LYS A 64 12.417 14.282 10.729 1.00 0.00 C ATOM 1037 CE LYS A 64 12.235 14.610 12.212 1.00 0.00 C ATOM 1038 NZ LYS A 64 13.213 15.700 12.487 1.00 0.00 N ATOM 0 H LYS A 64 7.878 14.564 7.586 1.00 0.00 H new ATOM 0 HA LYS A 64 10.099 15.321 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.340 14.779 10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.296 13.318 9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.947 15.442 8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.211 16.052 10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.221 13.224 10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.448 14.469 10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.215 14.932 12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.430 13.738 12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.149 15.980 13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.175 15.362 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.999 16.519 11.883 1.00 0.00 H new ATOM 1052 N ARG A 65 10.947 13.409 6.076 1.00 0.00 N ATOM 1053 CA ARG A 65 11.866 12.498 5.335 1.00 0.00 C ATOM 1054 C ARG A 65 12.574 13.260 4.212 1.00 0.00 C ATOM 1055 O ARG A 65 13.782 13.217 4.084 1.00 0.00 O ATOM 1056 CB ARG A 65 10.962 11.409 4.756 1.00 0.00 C ATOM 1057 CG ARG A 65 11.748 10.100 4.641 1.00 0.00 C ATOM 1058 CD ARG A 65 10.776 8.918 4.655 1.00 0.00 C ATOM 1059 NE ARG A 65 10.893 8.341 6.022 1.00 0.00 N ATOM 1060 CZ ARG A 65 9.874 7.731 6.563 1.00 0.00 C ATOM 1061 NH1 ARG A 65 9.303 6.738 5.939 1.00 0.00 N ATOM 1062 NH2 ARG A 65 9.427 8.114 7.727 1.00 0.00 N ATOM 0 H ARG A 65 10.385 14.028 5.492 1.00 0.00 H new ATOM 0 HA ARG A 65 12.643 12.084 5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.090 11.267 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.593 11.711 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.332 10.094 3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.454 10.014 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.756 9.243 4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.036 8.184 3.893 1.00 0.00 H new ATOM 0 HE ARG A 65 11.770 8.422 6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.653 6.439 5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.507 6.261 6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.874 8.890 8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.631 7.637 8.150 1.00 0.00 H new ATOM 1076 N LEU A 66 11.832 13.961 3.398 1.00 0.00 N ATOM 1077 CA LEU A 66 12.463 14.727 2.285 1.00 0.00 C ATOM 1078 C LEU A 66 13.333 13.800 1.429 1.00 0.00 C ATOM 1079 O LEU A 66 14.511 14.032 1.250 1.00 0.00 O ATOM 1080 CB LEU A 66 13.325 15.788 2.972 1.00 0.00 C ATOM 1081 CG LEU A 66 12.595 17.131 2.949 1.00 0.00 C ATOM 1082 CD1 LEU A 66 11.369 17.063 3.863 1.00 0.00 C ATOM 1083 CD2 LEU A 66 13.538 18.230 3.444 1.00 0.00 C ATOM 0 H LEU A 66 10.816 14.036 3.456 1.00 0.00 H new ATOM 0 HA LEU A 66 11.723 15.171 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.533 15.493 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.286 15.876 2.465 1.00 0.00 H new ATOM 0 HG LEU A 66 12.276 17.354 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.849 18.021 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.697 16.279 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.687 16.840 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.019 19.189 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.855 18.006 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.412 18.280 2.794 1.00 0.00 H new ATOM 1095 N GLY A 67 12.756 12.756 0.898 1.00 0.00 N ATOM 1096 CA GLY A 67 13.543 11.815 0.052 1.00 0.00 C ATOM 1097 C GLY A 67 14.907 11.560 0.693 1.00 0.00 C ATOM 1098 O GLY A 67 15.937 11.703 0.063 1.00 0.00 O ATOM 0 H GLY A 67 11.772 12.514 1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.003 10.875 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.672 12.231 -0.947 1.00 0.00 H new ATOM 1102 N ARG A 68 14.926 11.179 1.941 1.00 0.00 N ATOM 1103 CA ARG A 68 16.227 10.912 2.620 1.00 0.00 C ATOM 1104 C ARG A 68 16.047 9.851 3.709 1.00 0.00 C ATOM 1105 O ARG A 68 14.972 9.315 3.895 1.00 0.00 O ATOM 1106 CB ARG A 68 16.634 12.252 3.238 1.00 0.00 C ATOM 1107 CG ARG A 68 17.527 13.015 2.258 1.00 0.00 C ATOM 1108 CD ARG A 68 17.653 14.472 2.711 1.00 0.00 C ATOM 1109 NE ARG A 68 18.378 15.156 1.605 1.00 0.00 N ATOM 1110 CZ ARG A 68 17.713 15.654 0.598 1.00 0.00 C ATOM 1111 NH1 ARG A 68 16.868 16.629 0.794 1.00 0.00 N ATOM 1112 NH2 ARG A 68 17.893 15.178 -0.602 1.00 0.00 N ATOM 0 H ARG A 68 14.098 11.041 2.520 1.00 0.00 H new ATOM 0 HA ARG A 68 16.983 10.535 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.747 12.841 3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.164 12.086 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.512 12.551 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.105 12.970 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.673 14.920 2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.202 14.548 3.650 1.00 0.00 H new ATOM 0 HE ARG A 68 19.394 15.236 1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.728 17.001 1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.348 17.019 0.008 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.554 14.416 -0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.373 15.567 -1.388 1.00 0.00 H new ATOM 1126 N TYR A 69 17.090 9.543 4.429 1.00 0.00 N ATOM 1127 CA TYR A 69 16.976 8.515 5.505 1.00 0.00 C ATOM 1128 C TYR A 69 16.889 9.191 6.875 1.00 0.00 C ATOM 1129 O TYR A 69 17.679 8.927 7.760 1.00 0.00 O ATOM 1130 CB TYR A 69 18.254 7.684 5.397 1.00 0.00 C ATOM 1131 CG TYR A 69 18.267 6.636 6.484 1.00 0.00 C ATOM 1132 CD1 TYR A 69 17.061 6.094 6.946 1.00 0.00 C ATOM 1133 CD2 TYR A 69 19.482 6.206 7.029 1.00 0.00 C ATOM 1134 CE1 TYR A 69 17.071 5.122 7.954 1.00 0.00 C ATOM 1135 CE2 TYR A 69 19.492 5.234 8.037 1.00 0.00 C ATOM 1136 CZ TYR A 69 18.286 4.693 8.499 1.00 0.00 C ATOM 1137 OH TYR A 69 18.296 3.734 9.493 1.00 0.00 O ATOM 0 H TYR A 69 18.016 9.957 4.320 1.00 0.00 H new ATOM 0 HA TYR A 69 16.081 7.902 5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 69 18.309 7.208 4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 69 19.128 8.329 5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 69 16.123 6.426 6.525 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.412 6.624 6.672 1.00 0.00 H new ATOM 0 HE1 TYR A 69 16.141 4.704 8.310 1.00 0.00 H new ATOM 0 HE2 TYR A 69 20.429 4.902 8.458 1.00 0.00 H new ATOM 0 HH TYR A 69 19.221 3.549 9.760 1.00 0.00 H new ATOM 1147 N LEU A 70 15.934 10.062 7.059 1.00 0.00 N ATOM 1148 CA LEU A 70 15.798 10.752 8.374 1.00 0.00 C ATOM 1149 C LEU A 70 14.617 10.177 9.147 1.00 0.00 C ATOM 1150 O LEU A 70 13.852 10.888 9.769 1.00 0.00 O ATOM 1151 CB LEU A 70 15.544 12.211 8.028 1.00 0.00 C ATOM 1152 CG LEU A 70 16.731 13.062 8.478 1.00 0.00 C ATOM 1153 CD1 LEU A 70 17.056 14.098 7.399 1.00 0.00 C ATOM 1154 CD2 LEU A 70 16.378 13.781 9.782 1.00 0.00 C ATOM 0 H LEU A 70 15.243 10.325 6.357 1.00 0.00 H new ATOM 0 HA LEU A 70 16.682 10.628 9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.393 12.319 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.632 12.556 8.514 1.00 0.00 H new ATOM 0 HG LEU A 70 17.597 12.420 8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.903 14.705 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.307 13.588 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.190 14.740 7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.224 14.388 10.103 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.512 14.423 9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.146 13.045 10.552 1.00 0.00 H new ATOM 1166 N GLY A 71 14.474 8.893 9.105 1.00 0.00 N ATOM 1167 CA GLY A 71 13.350 8.235 9.829 1.00 0.00 C ATOM 1168 C GLY A 71 13.425 6.722 9.622 1.00 0.00 C ATOM 1169 O GLY A 71 14.293 6.222 8.934 1.00 0.00 O ATOM 0 H GLY A 71 15.090 8.258 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 71 13.401 8.470 10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.396 8.616 9.464 1.00 0.00 H new ATOM 1173 N LYS A 72 12.521 5.987 10.211 1.00 0.00 N ATOM 1174 CA LYS A 72 12.542 4.505 10.046 1.00 0.00 C ATOM 1175 C LYS A 72 11.597 4.086 8.916 1.00 0.00 C ATOM 1176 O LYS A 72 10.696 4.812 8.545 1.00 0.00 O ATOM 1177 CB LYS A 72 12.055 3.951 11.386 1.00 0.00 C ATOM 1178 CG LYS A 72 13.168 4.085 12.427 1.00 0.00 C ATOM 1179 CD LYS A 72 12.552 4.338 13.805 1.00 0.00 C ATOM 1180 CE LYS A 72 13.542 5.117 14.672 1.00 0.00 C ATOM 1181 NZ LYS A 72 13.279 4.657 16.064 1.00 0.00 N ATOM 0 H LYS A 72 11.770 6.348 10.799 1.00 0.00 H new ATOM 0 HA LYS A 72 13.533 4.132 9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.168 4.492 11.715 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.768 2.905 11.277 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.772 3.178 12.448 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.834 4.905 12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.623 4.899 13.702 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.301 3.391 14.282 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.571 4.913 14.377 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.390 6.192 14.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.921 5.148 16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.294 4.870 16.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.438 3.631 16.127 1.00 0.00 H new ATOM 1195 N ARG A 73 11.798 2.920 8.364 1.00 0.00 N ATOM 1196 CA ARG A 73 10.912 2.457 7.257 1.00 0.00 C ATOM 1197 C ARG A 73 10.113 1.228 7.699 1.00 0.00 C ATOM 1198 O ARG A 73 10.612 0.122 7.679 1.00 0.00 O ATOM 1199 CB ARG A 73 11.863 2.098 6.115 1.00 0.00 C ATOM 1200 CG ARG A 73 12.240 3.365 5.347 1.00 0.00 C ATOM 1201 CD ARG A 73 13.013 2.985 4.082 1.00 0.00 C ATOM 1202 NE ARG A 73 14.178 3.913 4.050 1.00 0.00 N ATOM 1203 CZ ARG A 73 14.053 5.098 3.516 1.00 0.00 C ATOM 1204 NH1 ARG A 73 13.367 5.250 2.417 1.00 0.00 N ATOM 1205 NH2 ARG A 73 14.616 6.130 4.083 1.00 0.00 N ATOM 0 H ARG A 73 12.536 2.269 8.631 1.00 0.00 H new ATOM 0 HA ARG A 73 10.188 3.216 6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 73 12.759 1.620 6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.389 1.381 5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.342 3.924 5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.848 4.016 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.337 1.945 4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.394 3.098 3.192 1.00 0.00 H new ATOM 0 HE ARG A 73 15.073 3.623 4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.928 4.443 1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.270 6.176 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.153 6.010 4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.519 7.056 3.667 1.00 0.00 H new ATOM 1219 N PRO A 74 8.889 1.471 8.083 1.00 0.00 N ATOM 1220 CA PRO A 74 7.999 0.373 8.537 1.00 0.00 C ATOM 1221 C PRO A 74 7.542 -0.473 7.348 1.00 0.00 C ATOM 1222 O PRO A 74 8.090 -0.393 6.266 1.00 0.00 O ATOM 1223 CB PRO A 74 6.819 1.105 9.163 1.00 0.00 C ATOM 1224 CG PRO A 74 6.800 2.447 8.504 1.00 0.00 C ATOM 1225 CD PRO A 74 8.224 2.776 8.132 1.00 0.00 C ATOM 0 HA PRO A 74 8.487 -0.313 9.229 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.886 0.568 8.991 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.940 1.197 10.242 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.164 2.433 7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.393 3.201 9.177 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.277 3.287 7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.687 3.433 8.868 1.00 0.00 H new ATOM 1233 N ASP A 75 6.533 -1.272 7.540 1.00 0.00 N ATOM 1234 CA ASP A 75 6.024 -2.113 6.430 1.00 0.00 C ATOM 1235 C ASP A 75 4.611 -1.669 6.066 1.00 0.00 C ATOM 1236 O ASP A 75 3.632 -2.159 6.595 1.00 0.00 O ATOM 1237 CB ASP A 75 6.017 -3.540 6.981 1.00 0.00 C ATOM 1238 CG ASP A 75 7.314 -4.248 6.581 1.00 0.00 C ATOM 1239 OD1 ASP A 75 8.336 -3.585 6.529 1.00 0.00 O ATOM 1240 OD2 ASP A 75 7.262 -5.442 6.336 1.00 0.00 O ATOM 0 H ASP A 75 6.037 -1.378 8.425 1.00 0.00 H new ATOM 0 HA ASP A 75 6.633 -2.036 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.920 -3.522 8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.157 -4.087 6.593 1.00 0.00 H new ATOM 1245 N ARG A 76 4.507 -0.743 5.169 1.00 0.00 N ATOM 1246 CA ARG A 76 3.169 -0.241 4.750 1.00 0.00 C ATOM 1247 C ARG A 76 2.983 -0.464 3.244 1.00 0.00 C ATOM 1248 O ARG A 76 3.677 0.115 2.432 1.00 0.00 O ATOM 1249 CB ARG A 76 3.199 1.251 5.091 1.00 0.00 C ATOM 1250 CG ARG A 76 2.120 1.990 4.301 1.00 0.00 C ATOM 1251 CD ARG A 76 2.324 3.500 4.455 1.00 0.00 C ATOM 1252 NE ARG A 76 1.319 3.921 5.470 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.538 3.700 6.737 1.00 0.00 C ATOM 1254 NH1 ARG A 76 2.552 4.266 7.332 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.744 2.913 7.409 1.00 0.00 N ATOM 0 H ARG A 76 5.298 -0.303 4.699 1.00 0.00 H new ATOM 0 HA ARG A 76 2.343 -0.751 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.039 1.391 6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.180 1.666 4.858 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.168 1.711 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.131 1.707 4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.338 3.730 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.170 4.018 3.508 1.00 0.00 H new ATOM 0 HE ARG A 76 0.459 4.383 5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.173 4.881 6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.723 4.093 8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.048 2.470 6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.916 2.740 8.400 1.00 0.00 H new ATOM 1269 N LYS A 77 2.059 -1.305 2.865 1.00 0.00 N ATOM 1270 CA LYS A 77 1.842 -1.567 1.412 1.00 0.00 C ATOM 1271 C LYS A 77 0.392 -1.268 1.017 1.00 0.00 C ATOM 1272 O LYS A 77 -0.534 -1.561 1.745 1.00 0.00 O ATOM 1273 CB LYS A 77 2.150 -3.054 1.233 1.00 0.00 C ATOM 1274 CG LYS A 77 2.227 -3.389 -0.258 1.00 0.00 C ATOM 1275 CD LYS A 77 2.330 -4.906 -0.432 1.00 0.00 C ATOM 1276 CE LYS A 77 1.360 -5.364 -1.524 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.216 -5.609 -2.718 1.00 0.00 N ATOM 0 H LYS A 77 1.446 -1.821 3.496 1.00 0.00 H new ATOM 0 HA LYS A 77 2.471 -0.936 0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.093 -3.301 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.377 -3.656 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.344 -3.012 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.091 -2.900 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.350 -5.183 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.098 -5.407 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.828 -6.268 -1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.606 -4.603 -1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.956 -4.943 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.215 -5.471 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.075 -6.584 -3.052 1.00 0.00 H new ATOM 1291 N LYS A 78 0.194 -0.694 -0.139 1.00 0.00 N ATOM 1292 CA LYS A 78 -1.192 -0.381 -0.597 1.00 0.00 C ATOM 1293 C LYS A 78 -1.597 -1.350 -1.713 1.00 0.00 C ATOM 1294 O LYS A 78 -0.786 -1.725 -2.535 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.115 1.050 -1.136 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.794 2.011 -0.158 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.465 3.141 -0.940 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.457 4.266 -1.186 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.574 5.155 0.002 1.00 0.00 N ATOM 0 H LYS A 78 0.934 -0.427 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.929 -0.477 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.074 1.339 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.599 1.107 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.534 1.478 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.060 2.420 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.843 2.764 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.322 3.522 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.445 3.874 -1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.684 4.805 -2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.765 5.808 0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.457 5.701 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.582 4.579 0.868 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.837 -1.760 -1.753 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.268 -2.704 -2.829 1.00 0.00 C ATOM 1315 C ALA A 79 -4.577 -2.260 -3.459 1.00 0.00 C ATOM 1316 O ALA A 79 -5.597 -2.194 -2.806 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.477 -4.040 -2.141 1.00 0.00 C ATOM 0 H ALA A 79 -3.566 -1.486 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.523 -2.749 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.795 -4.781 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.543 -4.362 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.243 -3.938 -1.373 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.559 -1.987 -4.727 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.803 -1.562 -5.413 1.00 0.00 C ATOM 1325 C ILE A 80 -6.401 -2.737 -6.179 1.00 0.00 C ATOM 1326 O ILE A 80 -5.849 -3.207 -7.151 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.368 -0.457 -6.368 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -5.101 0.826 -5.577 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.480 -0.201 -7.384 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -4.029 0.576 -4.516 1.00 0.00 C ATOM 0 H ILE A 80 -3.732 -2.040 -5.322 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.567 -1.215 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.459 -0.761 -6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.777 1.618 -6.252 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.021 1.168 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.172 0.589 -8.069 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.676 -1.114 -7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.387 0.104 -6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.847 1.495 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.369 -0.202 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.106 0.256 -5.000 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.527 -3.216 -5.744 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.162 -4.367 -6.440 1.00 0.00 C ATOM 1344 C VAL A 81 -9.416 -3.910 -7.182 1.00 0.00 C ATOM 1345 O VAL A 81 -10.221 -3.166 -6.657 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.524 -5.348 -5.326 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.059 -6.643 -5.940 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.275 -5.656 -4.498 1.00 0.00 C ATOM 0 H VAL A 81 -8.038 -2.861 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.503 -4.817 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.288 -4.907 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.317 -7.343 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.947 -6.425 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.295 -7.086 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.530 -6.356 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.513 -6.098 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.891 -4.734 -4.061 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.601 -4.356 -8.396 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.809 -3.948 -9.149 1.00 0.00 C ATOM 1360 C GLN A 82 -11.723 -5.142 -9.297 1.00 0.00 C ATOM 1361 O GLN A 82 -11.277 -6.271 -9.317 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.304 -3.530 -10.526 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.436 -2.858 -11.305 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.283 -1.338 -11.230 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -10.298 -0.792 -11.685 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -12.226 -0.627 -10.675 1.00 0.00 N ATOM 0 H GLN A 82 -8.967 -4.983 -8.892 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.357 -3.148 -8.651 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.463 -2.845 -10.423 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.941 -4.401 -11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.418 -3.184 -12.345 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.400 -3.157 -10.894 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.053 -1.086 -10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.136 0.388 -10.623 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.988 -4.924 -9.433 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.875 -6.084 -9.622 1.00 0.00 C ATOM 1377 C VAL A 83 -14.518 -5.991 -10.995 1.00 0.00 C ATOM 1378 O VAL A 83 -14.635 -4.928 -11.572 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.919 -6.040 -8.511 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.254 -5.644 -7.193 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -16.010 -5.027 -8.859 1.00 0.00 C ATOM 0 H VAL A 83 -13.440 -4.010 -9.422 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.332 -7.028 -9.571 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.368 -7.028 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.003 -5.614 -6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.487 -6.375 -6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.797 -4.660 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.751 -5.002 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.566 -4.038 -8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.492 -5.318 -9.792 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.916 -7.094 -11.529 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.533 -7.077 -12.877 1.00 0.00 C ATOM 1393 C ALA A 84 -16.638 -6.023 -12.950 1.00 0.00 C ATOM 1394 O ALA A 84 -16.915 -5.339 -11.985 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.095 -8.475 -13.050 1.00 0.00 C ATOM 0 H ALA A 84 -14.843 -8.014 -11.094 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.822 -6.821 -13.662 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.574 -8.556 -14.026 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.287 -9.203 -12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.829 -8.672 -12.268 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.224 -5.931 -14.108 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.309 -4.949 -14.342 1.00 0.00 C ATOM 1403 C PRO A 85 -19.581 -5.371 -13.606 1.00 0.00 C ATOM 1404 O PRO A 85 -19.914 -6.537 -13.533 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.506 -4.988 -15.855 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.007 -6.323 -16.278 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.935 -6.730 -15.299 1.00 0.00 C ATOM 0 HA PRO A 85 -18.072 -3.950 -13.977 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.556 -4.858 -16.119 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.952 -4.187 -16.345 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.818 -7.052 -16.286 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.607 -6.281 -17.291 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.976 -7.798 -15.083 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.938 -6.521 -15.688 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.289 -4.427 -13.052 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.536 -4.764 -12.311 1.00 0.00 C ATOM 1417 C GLY A 86 -21.196 -5.031 -10.844 1.00 0.00 C ATOM 1418 O GLY A 86 -22.024 -4.878 -9.966 1.00 0.00 O ATOM 0 H GLY A 86 -20.057 -3.434 -13.081 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.251 -3.945 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.009 -5.641 -12.752 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.984 -5.432 -10.569 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.589 -5.711 -9.159 1.00 0.00 C ATOM 1424 C GLN A 87 -18.939 -4.481 -8.527 1.00 0.00 C ATOM 1425 O GLN A 87 -18.526 -3.563 -9.208 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.582 -6.855 -9.251 1.00 0.00 C ATOM 1427 CG GLN A 87 -19.332 -8.167 -9.460 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.359 -9.340 -9.335 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.577 -9.397 -8.408 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.375 -10.284 -10.237 1.00 0.00 N ATOM 0 H GLN A 87 -19.250 -5.579 -11.261 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.448 -5.965 -8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.891 -6.682 -10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.985 -6.904 -8.340 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -20.130 -8.263 -8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.803 -8.176 -10.443 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.033 -10.235 -11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.730 -11.071 -10.163 1.00 0.00 H new ATOM 1439 N LYS A 88 -18.840 -4.462 -7.227 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.211 -3.296 -6.542 1.00 0.00 C ATOM 1441 C LYS A 88 -18.225 -3.506 -5.025 1.00 0.00 C ATOM 1442 O LYS A 88 -19.226 -3.291 -4.371 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.078 -2.097 -6.924 1.00 0.00 C ATOM 1444 CG LYS A 88 -20.538 -2.388 -6.568 1.00 0.00 C ATOM 1445 CD LYS A 88 -20.923 -1.600 -5.314 1.00 0.00 C ATOM 1446 CE LYS A 88 -21.854 -0.449 -5.701 1.00 0.00 C ATOM 1447 NZ LYS A 88 -23.071 -0.642 -4.864 1.00 0.00 N ATOM 0 H LYS A 88 -19.167 -5.204 -6.608 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.171 -3.156 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -18.735 -1.205 -6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -18.986 -1.894 -7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.188 -2.112 -7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.676 -3.456 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -21.417 -2.256 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -20.029 -1.211 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -21.389 0.518 -5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -22.097 -0.477 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.758 0.110 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -23.495 -1.567 -5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -22.810 -0.604 -3.858 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.124 -3.920 -4.459 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.088 -4.135 -2.983 1.00 0.00 C ATOM 1463 C ILE A 89 -17.772 -2.963 -2.277 1.00 0.00 C ATOM 1464 O ILE A 89 -17.178 -1.928 -2.043 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.603 -4.200 -2.622 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.933 -5.320 -3.425 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.456 -4.487 -1.126 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.560 -5.636 -2.828 1.00 0.00 C ATOM 0 H ILE A 89 -16.252 -4.118 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.610 -5.042 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.128 -3.248 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.559 -6.212 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.826 -5.019 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.398 -4.534 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.935 -3.692 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.930 -5.440 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.088 -6.433 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.934 -4.744 -2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.678 -5.956 -1.793 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.027 -3.115 -1.955 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.774 -2.012 -1.284 1.00 0.00 C ATOM 1482 C GLU A 90 -19.259 -1.782 0.140 1.00 0.00 C ATOM 1483 O GLU A 90 -19.578 -0.793 0.771 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.229 -2.479 -1.258 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.307 -3.874 -0.635 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.054 -3.798 0.698 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.249 -3.553 0.671 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -21.418 -3.986 1.722 1.00 0.00 O ATOM 0 H GLU A 90 -19.571 -3.960 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.652 -1.065 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.836 -1.779 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.634 -2.498 -2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.819 -4.558 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.304 -4.271 -0.479 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.483 -2.689 0.659 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.972 -2.520 2.050 1.00 0.00 C ATOM 1497 C ALA A 91 -17.259 -1.171 2.213 1.00 0.00 C ATOM 1498 O ALA A 91 -17.318 -0.556 3.259 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.987 -3.672 2.250 1.00 0.00 C ATOM 0 H ALA A 91 -18.180 -3.539 0.184 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.779 -2.533 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.565 -3.619 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.507 -4.622 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -16.186 -3.597 1.515 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.578 -0.707 1.200 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.862 0.602 1.326 1.00 0.00 C ATOM 1507 C LEU A 92 -16.581 1.692 0.531 1.00 0.00 C ATOM 1508 O LEU A 92 -16.435 2.867 0.804 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.458 0.388 0.740 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.077 -1.092 0.777 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.626 -1.258 0.327 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.233 -1.617 2.206 1.00 0.00 C ATOM 0 H LEU A 92 -16.485 -1.171 0.296 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.825 0.920 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.428 0.751 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.730 0.970 1.305 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.728 -1.654 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.355 -2.314 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.515 -0.880 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.972 -0.699 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.962 -2.672 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.580 -1.055 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.268 -1.498 2.526 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.341 1.322 -0.461 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.040 2.355 -1.271 1.00 0.00 C ATOM 1526 C GLU A 93 -18.802 3.320 -0.356 1.00 0.00 C ATOM 1527 O GLU A 93 -19.095 4.440 -0.726 1.00 0.00 O ATOM 1528 CB GLU A 93 -18.999 1.582 -2.183 1.00 0.00 C ATOM 1529 CG GLU A 93 -20.265 1.198 -1.412 1.00 0.00 C ATOM 1530 CD GLU A 93 -21.231 2.385 -1.384 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -21.034 3.302 -2.164 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -22.150 2.356 -0.583 1.00 0.00 O ATOM 0 H GLU A 93 -17.507 0.356 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.345 2.961 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.261 2.192 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -18.509 0.685 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.743 0.339 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -20.008 0.902 -0.395 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.127 2.893 0.833 1.00 0.00 N ATOM 1540 CA GLY A 94 -19.870 3.785 1.769 1.00 0.00 C ATOM 1541 C GLY A 94 -18.893 4.417 2.761 1.00 0.00 C ATOM 1542 O GLY A 94 -19.152 5.463 3.321 1.00 0.00 O ATOM 0 H GLY A 94 -18.911 1.965 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.390 4.563 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.630 3.215 2.304 1.00 0.00 H new ATOM 1546 N LEU A 95 -17.770 3.790 2.982 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.775 4.356 3.939 1.00 0.00 C ATOM 1548 C LEU A 95 -16.646 5.868 3.733 1.00 0.00 C ATOM 1549 O LEU A 95 -16.352 6.606 4.652 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.458 3.654 3.602 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.040 2.759 4.770 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.236 1.925 5.232 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.915 1.824 4.314 1.00 0.00 C ATOM 0 H LEU A 95 -17.498 2.911 2.542 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.065 4.200 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.573 3.058 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.682 4.392 3.401 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.691 3.379 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.936 1.288 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.039 2.588 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.586 1.304 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.614 1.185 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.268 1.206 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.061 2.416 3.984 1.00 0.00 H new ATOM 1565 N ILE A 96 -16.863 6.333 2.532 1.00 0.00 N ATOM 1566 CA ILE A 96 -16.753 7.796 2.268 1.00 0.00 C ATOM 1567 C ILE A 96 -17.759 8.567 3.127 1.00 0.00 C ATOM 1568 O ILE A 96 -17.437 9.670 3.536 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.083 7.957 0.784 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.147 7.071 -0.043 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -16.893 9.419 0.373 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -16.960 5.970 -0.727 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.834 8.040 3.362 1.00 0.00 O ATOM 0 H ILE A 96 -17.111 5.763 1.723 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.764 8.185 2.511 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.117 7.662 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -15.626 7.671 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -15.385 6.630 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.128 9.533 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.556 10.052 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -15.859 9.715 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.295 5.339 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.460 5.364 0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -17.705 6.422 -1.382 1.00 0.00 H new TER 1585 ILE A 96