USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 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 39 GLN : amide:sc= -2.76 K(o=-2.8,f=-4.3!) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc=-0.00101 USER MOD Set 2.1: A 17 SER OG : rot 54:sc= 0.165! USER MOD Set 2.2: A 84 ASN : amide:sc= -3! C(o=-2.8!,f=-16!) USER MOD Set 3.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 SER OG : rot 55:sc= -0.54! USER MOD Single : A 3 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.52) USER MOD Single : A 13 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.034) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -46:sc= -1.64! USER MOD Single : A 30 SER OG : rot 160:sc= -2.09! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 162:sc= -9! (180deg=-9.93!) USER MOD Single : A 35 SER OG : rot 25:sc= -6.8! USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0523) USER MOD Single : A 49 SER OG : rot -51:sc= 0.319 USER MOD Single : A 52 SER OG : rot -120:sc= -3.91! USER MOD Single : A 54 SER OG : rot 180:sc= -0.025 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.09! C(o=-3.1!,f=-5.6!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -7.7! C(o=-7.7!,f=-13!) USER MOD Single : A 78 THR OG1 : rot 130:sc= -2.03! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 83 MET CE :methyl -106:sc= -25.5! (180deg=-28.6!) USER MOD Single : A 85 SER OG : rot -88:sc= 0.941 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -143:sc= -0.431 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -2.61! USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.294 10.744 -13.416 1.00 0.00 N ATOM 11 CA VAL A 2 -11.312 9.673 -13.086 1.00 0.00 C ATOM 12 C VAL A 2 -12.035 8.315 -13.107 1.00 0.00 C ATOM 13 O VAL A 2 -13.234 8.244 -12.925 1.00 0.00 O ATOM 14 CB VAL A 2 -10.705 9.961 -11.699 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.579 9.362 -10.596 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.301 9.358 -11.623 1.00 0.00 C ATOM 0 HA VAL A 2 -10.504 9.648 -13.817 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.652 11.040 -11.556 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.135 9.575 -9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.576 9.800 -10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.650 8.283 -10.734 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.870 9.561 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.359 8.281 -11.778 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.672 9.802 -12.394 1.00 0.00 H new ATOM 17 N GLN A 3 -11.325 7.238 -13.334 1.00 0.00 N ATOM 18 CA GLN A 3 -11.997 5.901 -13.370 1.00 0.00 C ATOM 19 C GLN A 3 -10.925 4.828 -13.268 1.00 0.00 C ATOM 20 O GLN A 3 -10.165 4.619 -14.189 1.00 0.00 O ATOM 21 CB GLN A 3 -12.759 5.743 -14.687 1.00 0.00 C ATOM 22 CG GLN A 3 -14.249 6.000 -14.450 1.00 0.00 C ATOM 23 CD GLN A 3 -15.076 5.071 -15.340 1.00 0.00 C ATOM 24 OE1 GLN A 3 -14.814 3.888 -15.412 1.00 0.00 O ATOM 25 NE2 GLN A 3 -16.073 5.561 -16.024 1.00 0.00 N ATOM 0 H GLN A 3 -10.318 7.225 -13.495 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.702 5.811 -12.543 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.372 6.442 -15.429 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.611 4.740 -15.087 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.496 5.831 -13.402 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.489 7.040 -14.670 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.293 6.555 -15.964 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.632 4.950 -16.619 1.00 0.00 H new ATOM 26 N LEU A 4 -10.818 4.176 -12.141 1.00 0.00 N ATOM 27 CA LEU A 4 -9.741 3.168 -11.987 1.00 0.00 C ATOM 28 C LEU A 4 -10.170 2.023 -11.073 1.00 0.00 C ATOM 29 O LEU A 4 -11.268 2.013 -10.552 1.00 0.00 O ATOM 30 CB LEU A 4 -8.516 3.854 -11.408 1.00 0.00 C ATOM 31 CG LEU A 4 -8.886 5.062 -10.548 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.428 6.218 -11.391 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.895 4.680 -9.464 1.00 0.00 C ATOM 0 H LEU A 4 -11.425 4.299 -11.331 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.517 2.742 -12.965 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.952 3.141 -10.807 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.863 4.174 -12.220 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.968 5.400 -10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.679 7.056 -10.741 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.671 6.530 -12.110 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.321 5.892 -11.924 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.139 5.559 -8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.802 4.294 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.464 3.913 -8.820 1.00 0.00 H new ATOM 34 N VAL A 5 -9.312 1.045 -10.874 1.00 0.00 N ATOM 35 CA VAL A 5 -9.713 -0.097 -9.985 1.00 0.00 C ATOM 36 C VAL A 5 -8.566 -1.104 -9.761 1.00 0.00 C ATOM 37 O VAL A 5 -8.792 -2.296 -9.761 1.00 0.00 O ATOM 38 CB VAL A 5 -10.899 -0.852 -10.601 1.00 0.00 C ATOM 39 CG1 VAL A 5 -12.195 -0.426 -9.911 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.008 -0.558 -12.101 1.00 0.00 C ATOM 0 H VAL A 5 -8.377 0.987 -11.276 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.983 0.339 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.737 -1.921 -10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.035 -0.964 -10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.134 -0.656 -8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.342 0.646 -10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.855 -1.103 -12.518 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.155 0.511 -12.252 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.092 -0.873 -12.601 1.00 0.00 H new ATOM 41 N GLU A 6 -7.355 -0.650 -9.531 1.00 0.00 N ATOM 42 CA GLU A 6 -6.215 -1.605 -9.269 1.00 0.00 C ATOM 43 C GLU A 6 -6.224 -2.770 -10.271 1.00 0.00 C ATOM 44 O GLU A 6 -7.081 -2.864 -11.126 1.00 0.00 O ATOM 45 CB GLU A 6 -6.310 -2.171 -7.840 1.00 0.00 C ATOM 46 CG GLU A 6 -7.718 -1.969 -7.270 1.00 0.00 C ATOM 47 CD GLU A 6 -7.702 -2.219 -5.762 1.00 0.00 C ATOM 48 OE1 GLU A 6 -7.014 -3.134 -5.341 1.00 0.00 O ATOM 49 OE2 GLU A 6 -8.379 -1.492 -5.054 1.00 0.00 O ATOM 0 H GLU A 6 -7.102 0.338 -9.512 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.285 -1.048 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.064 -3.233 -7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.579 -1.679 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.063 -0.956 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.418 -2.650 -7.754 1.00 0.00 H new ATOM 50 N SER A 7 -5.262 -3.667 -10.179 1.00 0.00 N ATOM 51 CA SER A 7 -5.230 -4.818 -11.127 1.00 0.00 C ATOM 52 C SER A 7 -3.852 -5.478 -11.080 1.00 0.00 C ATOM 53 O SER A 7 -2.851 -4.869 -11.406 1.00 0.00 O ATOM 54 CB SER A 7 -5.512 -4.320 -12.545 1.00 0.00 C ATOM 55 OG SER A 7 -4.979 -5.243 -13.483 1.00 0.00 O ATOM 0 H SER A 7 -4.508 -3.646 -9.493 1.00 0.00 H new ATOM 0 HA SER A 7 -5.990 -5.545 -10.842 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.586 -4.209 -12.697 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.066 -3.336 -12.692 1.00 0.00 H new ATOM 0 HG SER A 7 -5.160 -4.926 -14.393 1.00 0.00 H new ATOM 56 N GLY A 8 -3.785 -6.719 -10.676 1.00 0.00 N ATOM 57 CA GLY A 8 -2.463 -7.401 -10.613 1.00 0.00 C ATOM 58 C GLY A 8 -2.624 -8.831 -10.095 1.00 0.00 C ATOM 59 O GLY A 8 -3.303 -9.648 -10.685 1.00 0.00 O ATOM 0 H GLY A 8 -4.583 -7.285 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.007 -7.415 -11.603 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.791 -6.845 -9.960 1.00 0.00 H new ATOM 60 N GLY A 9 -1.985 -9.142 -8.997 1.00 0.00 N ATOM 61 CA GLY A 9 -2.079 -10.520 -8.438 1.00 0.00 C ATOM 62 C GLY A 9 -1.054 -11.410 -9.143 1.00 0.00 C ATOM 63 O GLY A 9 -1.371 -12.477 -9.630 1.00 0.00 O ATOM 0 H GLY A 9 -1.401 -8.498 -8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.891 -10.505 -7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.084 -10.917 -8.580 1.00 0.00 H new ATOM 64 N GLY A 10 0.173 -10.969 -9.208 1.00 0.00 N ATOM 65 CA GLY A 10 1.227 -11.771 -9.891 1.00 0.00 C ATOM 66 C GLY A 10 1.873 -12.748 -8.899 1.00 0.00 C ATOM 67 O GLY A 10 2.087 -12.425 -7.745 1.00 0.00 O ATOM 0 H GLY A 10 0.492 -10.083 -8.815 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.792 -12.322 -10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.986 -11.109 -10.308 1.00 0.00 H new ATOM 68 N LEU A 11 2.211 -13.934 -9.345 1.00 0.00 N ATOM 69 CA LEU A 11 2.877 -14.908 -8.432 1.00 0.00 C ATOM 70 C LEU A 11 4.261 -14.345 -8.118 1.00 0.00 C ATOM 71 O LEU A 11 4.726 -13.469 -8.814 1.00 0.00 O ATOM 72 CB LEU A 11 3.009 -16.267 -9.126 1.00 0.00 C ATOM 73 CG LEU A 11 1.617 -16.797 -9.480 1.00 0.00 C ATOM 74 CD1 LEU A 11 1.650 -17.437 -10.870 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.194 -17.846 -8.449 1.00 0.00 C ATOM 0 H LEU A 11 2.055 -14.266 -10.297 1.00 0.00 H new ATOM 0 HA LEU A 11 2.297 -15.051 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.613 -16.169 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.523 -16.972 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 11 0.904 -15.972 -9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.658 -17.814 -11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.952 -16.692 -11.606 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.363 -18.261 -10.874 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.203 -18.224 -8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.908 -18.669 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.169 -17.393 -7.458 1.00 0.00 H new ATOM 76 N VAL A 12 4.935 -14.804 -7.092 1.00 0.00 N ATOM 77 CA VAL A 12 6.276 -14.220 -6.809 1.00 0.00 C ATOM 78 C VAL A 12 6.924 -14.857 -5.584 1.00 0.00 C ATOM 79 O VAL A 12 6.829 -14.351 -4.486 1.00 0.00 O ATOM 80 CB VAL A 12 6.143 -12.721 -6.552 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.501 -11.964 -7.823 1.00 0.00 C ATOM 82 CG2 VAL A 12 4.708 -12.390 -6.133 1.00 0.00 C ATOM 0 H VAL A 12 4.623 -15.538 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 12 6.903 -14.412 -7.680 1.00 0.00 H new ATOM 0 HB VAL A 12 6.819 -12.426 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.408 -10.892 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.527 -12.197 -8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.825 -12.260 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.620 -11.319 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.021 -12.681 -6.927 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.460 -12.934 -5.222 1.00 0.00 H new ATOM 83 N GLN A 13 7.623 -15.930 -5.775 1.00 0.00 N ATOM 84 CA GLN A 13 8.336 -16.568 -4.628 1.00 0.00 C ATOM 85 C GLN A 13 9.308 -15.502 -4.069 1.00 0.00 C ATOM 86 O GLN A 13 9.122 -14.336 -4.356 1.00 0.00 O ATOM 87 CB GLN A 13 9.090 -17.807 -5.131 1.00 0.00 C ATOM 88 CG GLN A 13 8.284 -18.511 -6.227 1.00 0.00 C ATOM 89 CD GLN A 13 9.078 -18.492 -7.535 1.00 0.00 C ATOM 90 OE1 GLN A 13 10.141 -19.075 -7.621 1.00 0.00 O ATOM 91 NE2 GLN A 13 8.608 -17.843 -8.564 1.00 0.00 N ATOM 0 H GLN A 13 7.737 -16.399 -6.673 1.00 0.00 H new ATOM 0 HA GLN A 13 7.652 -16.897 -3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.066 -17.515 -5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.268 -18.494 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.071 -19.539 -5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.324 -18.013 -6.364 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.716 -17.353 -8.494 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.132 -17.825 -9.439 1.00 0.00 H new ATOM 92 N PRO A 14 10.316 -15.870 -3.298 1.00 0.00 N ATOM 93 CA PRO A 14 11.247 -14.863 -2.762 1.00 0.00 C ATOM 94 C PRO A 14 12.113 -14.278 -3.876 1.00 0.00 C ATOM 95 O PRO A 14 12.758 -14.989 -4.623 1.00 0.00 O ATOM 96 CB PRO A 14 12.070 -15.630 -1.719 1.00 0.00 C ATOM 97 CG PRO A 14 11.941 -17.122 -2.080 1.00 0.00 C ATOM 98 CD PRO A 14 10.644 -17.258 -2.898 1.00 0.00 C ATOM 0 HA PRO A 14 10.742 -14.005 -2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.113 -15.314 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.697 -15.440 -0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.802 -17.458 -2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.900 -17.737 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.788 -17.899 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.844 -17.700 -2.304 1.00 0.00 H new ATOM 99 N GLY A 15 12.107 -12.977 -4.002 1.00 0.00 N ATOM 100 CA GLY A 15 12.902 -12.324 -5.076 1.00 0.00 C ATOM 101 C GLY A 15 12.190 -12.552 -6.410 1.00 0.00 C ATOM 102 O GLY A 15 12.813 -12.724 -7.439 1.00 0.00 O ATOM 0 H GLY A 15 11.583 -12.339 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.003 -11.257 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 15 13.909 -12.739 -5.108 1.00 0.00 H new ATOM 103 N GLY A 16 10.883 -12.579 -6.392 1.00 0.00 N ATOM 104 CA GLY A 16 10.122 -12.824 -7.650 1.00 0.00 C ATOM 105 C GLY A 16 9.732 -11.500 -8.317 1.00 0.00 C ATOM 106 O GLY A 16 9.751 -11.389 -9.525 1.00 0.00 O ATOM 0 H GLY A 16 10.310 -12.442 -5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.726 -13.418 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.225 -13.404 -7.431 1.00 0.00 H new ATOM 107 N SER A 17 9.352 -10.511 -7.544 1.00 0.00 N ATOM 108 CA SER A 17 8.930 -9.197 -8.126 1.00 0.00 C ATOM 109 C SER A 17 7.459 -9.295 -8.525 1.00 0.00 C ATOM 110 O SER A 17 7.094 -10.052 -9.402 1.00 0.00 O ATOM 111 CB SER A 17 9.771 -8.851 -9.358 1.00 0.00 C ATOM 112 OG SER A 17 9.572 -7.484 -9.691 1.00 0.00 O ATOM 0 H SER A 17 9.316 -10.558 -6.526 1.00 0.00 H new ATOM 0 HA SER A 17 9.075 -8.412 -7.383 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.826 -9.039 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.488 -9.487 -10.197 1.00 0.00 H new ATOM 0 HG SER A 17 9.757 -6.926 -8.907 1.00 0.00 H new ATOM 113 N LEU A 18 6.610 -8.551 -7.877 1.00 0.00 N ATOM 114 CA LEU A 18 5.164 -8.621 -8.200 1.00 0.00 C ATOM 115 C LEU A 18 4.859 -7.744 -9.398 1.00 0.00 C ATOM 116 O LEU A 18 5.466 -6.710 -9.600 1.00 0.00 O ATOM 117 CB LEU A 18 4.339 -8.121 -7.020 1.00 0.00 C ATOM 118 CG LEU A 18 4.360 -9.140 -5.879 1.00 0.00 C ATOM 119 CD1 LEU A 18 5.798 -9.547 -5.574 1.00 0.00 C ATOM 120 CD2 LEU A 18 3.739 -8.509 -4.632 1.00 0.00 C ATOM 0 H LEU A 18 6.858 -7.896 -7.136 1.00 0.00 H new ATOM 0 HA LEU A 18 4.911 -9.658 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.735 -7.167 -6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.311 -7.943 -7.337 1.00 0.00 H new ATOM 0 HG LEU A 18 3.791 -10.023 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.806 -10.273 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.246 -9.992 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.371 -8.667 -5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.751 -9.230 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.313 -7.627 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.710 -8.219 -4.845 1.00 0.00 H new ATOM 121 N ARG A 19 3.904 -8.144 -10.181 1.00 0.00 N ATOM 122 CA ARG A 19 3.527 -7.338 -11.361 1.00 0.00 C ATOM 123 C ARG A 19 2.038 -6.992 -11.254 1.00 0.00 C ATOM 124 O ARG A 19 1.187 -7.718 -11.728 1.00 0.00 O ATOM 125 CB ARG A 19 3.784 -8.161 -12.621 1.00 0.00 C ATOM 126 CG ARG A 19 3.326 -7.381 -13.855 1.00 0.00 C ATOM 127 CD ARG A 19 2.900 -8.365 -14.946 1.00 0.00 C ATOM 128 NE ARG A 19 1.416 -8.480 -14.959 1.00 0.00 N ATOM 129 CZ ARG A 19 0.783 -8.638 -16.088 1.00 0.00 C ATOM 130 NH1 ARG A 19 1.406 -9.137 -17.120 1.00 0.00 N ATOM 131 NH2 ARG A 19 -0.473 -8.299 -16.186 1.00 0.00 N ATOM 0 H ARG A 19 3.366 -9.001 -10.051 1.00 0.00 H new ATOM 0 HA ARG A 19 4.113 -6.420 -11.407 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.845 -8.396 -12.702 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.251 -9.110 -12.561 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.495 -6.725 -13.597 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.134 -6.745 -14.218 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.257 -8.024 -15.918 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.349 -9.341 -14.766 1.00 0.00 H new ATOM 0 HE ARG A 19 0.894 -8.435 -14.084 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.388 -9.403 -17.043 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.911 -9.261 -18.003 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.961 -7.910 -15.379 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.967 -8.423 -17.070 1.00 0.00 H new ATOM 132 N LEU A 20 1.720 -5.902 -10.612 1.00 0.00 N ATOM 133 CA LEU A 20 0.281 -5.518 -10.443 1.00 0.00 C ATOM 134 C LEU A 20 0.036 -4.174 -11.131 1.00 0.00 C ATOM 135 O LEU A 20 0.721 -3.833 -12.075 1.00 0.00 O ATOM 136 CB LEU A 20 -0.030 -5.437 -8.945 1.00 0.00 C ATOM 137 CG LEU A 20 0.797 -6.496 -8.211 1.00 0.00 C ATOM 138 CD1 LEU A 20 2.226 -5.987 -8.006 1.00 0.00 C ATOM 139 CD2 LEU A 20 0.167 -6.785 -6.854 1.00 0.00 C ATOM 0 H LEU A 20 2.391 -5.257 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.375 -6.260 -10.899 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.206 -4.443 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.093 -5.601 -8.771 1.00 0.00 H new ATOM 0 HG LEU A 20 0.819 -7.408 -8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.810 -6.744 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.682 -5.782 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.205 -5.072 -7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.756 -7.539 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.142 -5.870 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.849 -7.153 -6.996 1.00 0.00 H new ATOM 140 N SER A 21 -0.935 -3.407 -10.704 1.00 0.00 N ATOM 141 CA SER A 21 -1.170 -2.115 -11.406 1.00 0.00 C ATOM 142 C SER A 21 -2.444 -1.406 -10.915 1.00 0.00 C ATOM 143 O SER A 21 -3.395 -2.029 -10.486 1.00 0.00 O ATOM 144 CB SER A 21 -1.333 -2.409 -12.895 1.00 0.00 C ATOM 145 OG SER A 21 -1.587 -3.796 -13.078 1.00 0.00 O ATOM 0 H SER A 21 -1.558 -3.613 -9.923 1.00 0.00 H new ATOM 0 HA SER A 21 -0.322 -1.461 -11.204 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.154 -1.821 -13.305 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.432 -2.119 -13.435 1.00 0.00 H new ATOM 0 HG SER A 21 -2.364 -4.060 -12.542 1.00 0.00 H new ATOM 146 N CYS A 22 -2.472 -0.095 -11.026 1.00 0.00 N ATOM 147 CA CYS A 22 -3.680 0.686 -10.630 1.00 0.00 C ATOM 148 C CYS A 22 -4.539 0.860 -11.880 1.00 0.00 C ATOM 149 O CYS A 22 -4.208 1.645 -12.748 1.00 0.00 O ATOM 150 CB CYS A 22 -3.264 2.089 -10.133 1.00 0.00 C ATOM 151 SG CYS A 22 -4.002 2.532 -8.525 1.00 0.00 S ATOM 0 H CYS A 22 -1.698 0.468 -11.379 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.217 0.167 -9.836 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.178 2.130 -10.050 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.556 2.831 -10.876 1.00 0.00 H new ATOM 152 N ALA A 23 -5.639 0.159 -12.002 1.00 0.00 N ATOM 153 CA ALA A 23 -6.468 0.361 -13.218 1.00 0.00 C ATOM 154 C ALA A 23 -6.737 1.856 -13.306 1.00 0.00 C ATOM 155 O ALA A 23 -6.659 2.532 -12.310 1.00 0.00 O ATOM 156 CB ALA A 23 -7.786 -0.399 -13.091 1.00 0.00 C ATOM 0 H ALA A 23 -5.988 -0.525 -11.330 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.959 -0.007 -14.109 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.384 -0.243 -13.989 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.582 -1.463 -12.972 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.334 -0.035 -12.222 1.00 0.00 H new ATOM 157 N ALA A 24 -7.036 2.383 -14.465 1.00 0.00 N ATOM 158 CA ALA A 24 -7.287 3.855 -14.573 1.00 0.00 C ATOM 159 C ALA A 24 -7.363 4.270 -16.051 1.00 0.00 C ATOM 160 O ALA A 24 -6.718 3.688 -16.912 1.00 0.00 O ATOM 161 CB ALA A 24 -6.143 4.614 -13.892 1.00 0.00 C ATOM 0 H ALA A 24 -7.117 1.863 -15.338 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.233 4.093 -14.086 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.322 5.687 -13.968 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.092 4.329 -12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.201 4.368 -14.381 1.00 0.00 H new ATOM 162 N SER A 25 -8.142 5.278 -16.360 1.00 0.00 N ATOM 163 CA SER A 25 -8.243 5.713 -17.786 1.00 0.00 C ATOM 164 C SER A 25 -8.950 7.068 -17.880 1.00 0.00 C ATOM 165 O SER A 25 -8.583 7.915 -18.670 1.00 0.00 O ATOM 166 CB SER A 25 -9.039 4.673 -18.575 1.00 0.00 C ATOM 167 OG SER A 25 -9.582 5.281 -19.740 1.00 0.00 O ATOM 0 H SER A 25 -8.704 5.811 -15.697 1.00 0.00 H new ATOM 0 HA SER A 25 -7.239 5.808 -18.200 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.394 3.839 -18.853 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.839 4.265 -17.957 1.00 0.00 H new ATOM 0 HG SER A 25 -10.092 4.616 -20.249 1.00 0.00 H new ATOM 168 N GLY A 26 -9.966 7.280 -17.090 1.00 0.00 N ATOM 169 CA GLY A 26 -10.698 8.579 -17.145 1.00 0.00 C ATOM 170 C GLY A 26 -9.740 9.741 -16.862 1.00 0.00 C ATOM 171 O GLY A 26 -10.069 10.891 -17.075 1.00 0.00 O ATOM 0 H GLY A 26 -10.322 6.610 -16.408 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.154 8.706 -18.127 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.507 8.580 -16.415 1.00 0.00 H new ATOM 172 N PHE A 27 -8.565 9.455 -16.373 1.00 0.00 N ATOM 173 CA PHE A 27 -7.600 10.551 -16.065 1.00 0.00 C ATOM 174 C PHE A 27 -6.164 10.052 -16.289 1.00 0.00 C ATOM 175 O PHE A 27 -5.224 10.670 -15.847 1.00 0.00 O ATOM 176 CB PHE A 27 -7.757 10.939 -14.582 1.00 0.00 C ATOM 177 CG PHE A 27 -6.868 10.038 -13.749 1.00 0.00 C ATOM 178 CD1 PHE A 27 -7.284 8.738 -13.437 1.00 0.00 C ATOM 179 CD2 PHE A 27 -5.601 10.481 -13.349 1.00 0.00 C ATOM 180 CE1 PHE A 27 -6.441 7.891 -12.715 1.00 0.00 C ATOM 181 CE2 PHE A 27 -4.756 9.636 -12.643 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.175 8.335 -12.320 1.00 0.00 C ATOM 0 H PHE A 27 -8.231 8.512 -16.173 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.797 11.406 -16.711 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.482 11.983 -14.433 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.797 10.836 -14.272 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.256 8.391 -13.755 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.280 11.484 -13.591 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.767 6.893 -12.462 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.777 9.979 -12.342 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.520 7.678 -11.767 1.00 0.00 H new ATOM 183 N THR A 28 -5.997 8.917 -16.901 1.00 0.00 N ATOM 184 CA THR A 28 -4.625 8.359 -17.073 1.00 0.00 C ATOM 185 C THR A 28 -4.085 8.011 -15.676 1.00 0.00 C ATOM 186 O THR A 28 -4.775 7.394 -14.889 1.00 0.00 O ATOM 187 CB THR A 28 -3.701 9.360 -17.791 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.269 10.372 -16.890 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.451 9.997 -18.963 1.00 0.00 C ATOM 0 H THR A 28 -6.749 8.349 -17.291 1.00 0.00 H new ATOM 0 HA THR A 28 -4.660 7.466 -17.697 1.00 0.00 H new ATOM 0 HB THR A 28 -2.825 8.828 -18.163 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.036 10.703 -16.378 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.797 10.706 -19.471 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.759 9.220 -19.663 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.332 10.519 -18.590 1.00 0.00 H new ATOM 190 N PHE A 29 -2.866 8.363 -15.352 1.00 0.00 N ATOM 191 CA PHE A 29 -2.330 7.997 -13.998 1.00 0.00 C ATOM 192 C PHE A 29 -1.183 8.929 -13.630 1.00 0.00 C ATOM 193 O PHE A 29 -1.036 9.344 -12.497 1.00 0.00 O ATOM 194 CB PHE A 29 -1.795 6.564 -14.034 1.00 0.00 C ATOM 195 CG PHE A 29 -2.427 5.852 -15.190 1.00 0.00 C ATOM 196 CD1 PHE A 29 -1.996 6.127 -16.493 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.471 4.958 -14.969 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.615 5.502 -17.570 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.082 4.334 -16.045 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.654 4.608 -17.344 1.00 0.00 C ATOM 0 H PHE A 29 -2.225 8.880 -15.953 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.131 8.084 -13.264 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.710 6.567 -14.138 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.025 6.050 -13.101 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.186 6.822 -16.661 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.804 4.751 -13.962 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.289 5.711 -18.578 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.889 3.636 -15.878 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.134 4.122 -18.180 1.00 0.00 H new ATOM 201 N SER A 30 -0.366 9.253 -14.587 1.00 0.00 N ATOM 202 CA SER A 30 0.786 10.149 -14.323 1.00 0.00 C ATOM 203 C SER A 30 0.426 11.550 -14.791 1.00 0.00 C ATOM 204 O SER A 30 0.908 12.533 -14.263 1.00 0.00 O ATOM 205 CB SER A 30 2.012 9.643 -15.085 1.00 0.00 C ATOM 206 OG SER A 30 2.263 10.489 -16.201 1.00 0.00 O ATOM 0 H SER A 30 -0.449 8.931 -15.551 1.00 0.00 H new ATOM 0 HA SER A 30 1.016 10.164 -13.258 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.880 9.626 -14.426 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.847 8.620 -15.422 1.00 0.00 H new ATOM 0 HG SER A 30 3.192 10.378 -16.494 1.00 0.00 H new ATOM 207 N SER A 31 -0.429 11.652 -15.772 1.00 0.00 N ATOM 208 CA SER A 31 -0.827 12.997 -16.258 1.00 0.00 C ATOM 209 C SER A 31 -1.132 13.863 -15.039 1.00 0.00 C ATOM 210 O SER A 31 -0.670 14.982 -14.928 1.00 0.00 O ATOM 211 CB SER A 31 -2.069 12.889 -17.141 1.00 0.00 C ATOM 212 OG SER A 31 -2.178 14.058 -17.943 1.00 0.00 O ATOM 0 H SER A 31 -0.865 10.866 -16.253 1.00 0.00 H new ATOM 0 HA SER A 31 -0.024 13.438 -16.849 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.003 12.004 -17.774 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.960 12.773 -16.523 1.00 0.00 H new ATOM 0 HG SER A 31 -2.973 13.991 -18.512 1.00 0.00 H new ATOM 213 N TYR A 32 -1.890 13.344 -14.107 1.00 0.00 N ATOM 214 CA TYR A 32 -2.194 14.135 -12.885 1.00 0.00 C ATOM 215 C TYR A 32 -1.402 13.549 -11.714 1.00 0.00 C ATOM 216 O TYR A 32 -0.417 14.113 -11.280 1.00 0.00 O ATOM 217 CB TYR A 32 -3.695 14.072 -12.603 1.00 0.00 C ATOM 218 CG TYR A 32 -4.435 14.248 -13.905 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.493 13.189 -14.817 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.052 15.469 -14.208 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.169 13.350 -16.033 1.00 0.00 C ATOM 222 CE2 TYR A 32 -5.729 15.629 -15.422 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.788 14.569 -16.335 1.00 0.00 C ATOM 224 OH TYR A 32 -6.454 14.727 -17.532 1.00 0.00 O ATOM 0 H TYR A 32 -2.307 12.414 -14.142 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.910 15.178 -13.025 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.955 13.117 -12.146 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.981 14.852 -11.897 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.017 12.248 -14.584 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.005 16.287 -13.504 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.213 12.533 -16.738 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.206 16.570 -15.655 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.827 15.632 -17.582 1.00 0.00 H new ATOM 225 N ALA A 33 -1.814 12.410 -11.220 1.00 0.00 N ATOM 226 CA ALA A 33 -1.087 11.762 -10.090 1.00 0.00 C ATOM 227 C ALA A 33 -2.033 10.803 -9.371 1.00 0.00 C ATOM 228 O ALA A 33 -3.236 10.876 -9.521 1.00 0.00 O ATOM 229 CB ALA A 33 -0.595 12.822 -9.105 1.00 0.00 C ATOM 0 H ALA A 33 -2.630 11.898 -11.555 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.229 11.216 -10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.066 12.338 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.079 13.509 -9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.447 13.376 -8.711 1.00 0.00 H new ATOM 230 N MET A 34 -1.504 9.905 -8.588 1.00 0.00 N ATOM 231 CA MET A 34 -2.375 8.950 -7.861 1.00 0.00 C ATOM 232 C MET A 34 -1.531 8.196 -6.844 1.00 0.00 C ATOM 233 O MET A 34 -0.371 8.482 -6.657 1.00 0.00 O ATOM 234 CB MET A 34 -2.986 7.945 -8.847 1.00 0.00 C ATOM 235 CG MET A 34 -1.925 7.463 -9.848 1.00 0.00 C ATOM 236 SD MET A 34 -0.714 6.393 -9.018 1.00 0.00 S ATOM 237 CE MET A 34 -1.703 4.874 -8.965 1.00 0.00 C ATOM 0 H MET A 34 -0.504 9.794 -8.422 1.00 0.00 H new ATOM 0 HA MET A 34 -3.176 9.495 -7.361 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.394 7.094 -8.302 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.815 8.409 -9.381 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.404 6.918 -10.662 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.419 8.320 -10.292 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.049 4.020 -8.790 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.433 4.943 -8.159 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.222 4.744 -9.915 1.00 0.00 H new ATOM 238 N SER A 35 -2.099 7.214 -6.217 1.00 0.00 N ATOM 239 CA SER A 35 -1.327 6.399 -5.239 1.00 0.00 C ATOM 240 C SER A 35 -1.993 5.052 -5.161 1.00 0.00 C ATOM 241 O SER A 35 -3.108 4.903 -5.619 1.00 0.00 O ATOM 242 CB SER A 35 -1.334 7.037 -3.854 1.00 0.00 C ATOM 243 OG SER A 35 -0.449 8.146 -3.824 1.00 0.00 O ATOM 0 H SER A 35 -3.073 6.935 -6.338 1.00 0.00 H new ATOM 0 HA SER A 35 -0.290 6.323 -5.565 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.343 7.360 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.036 6.303 -3.105 1.00 0.00 H new ATOM 0 HG SER A 35 -0.344 8.506 -4.730 1.00 0.00 H new ATOM 244 N TRP A 36 -1.368 4.041 -4.620 1.00 0.00 N ATOM 245 CA TRP A 36 -2.115 2.774 -4.624 1.00 0.00 C ATOM 246 C TRP A 36 -1.429 1.623 -3.873 1.00 0.00 C ATOM 247 O TRP A 36 -0.203 1.555 -3.716 1.00 0.00 O ATOM 248 CB TRP A 36 -2.402 2.440 -6.086 1.00 0.00 C ATOM 249 CG TRP A 36 -1.394 1.543 -6.668 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.224 1.929 -7.222 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.475 0.109 -6.803 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.408 0.817 -7.708 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.320 -0.345 -7.461 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.442 -0.834 -6.409 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.133 -1.706 -7.729 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.252 -2.190 -6.668 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.105 -2.629 -7.325 1.00 0.00 C ATOM 0 H TRP A 36 -0.437 4.039 -4.204 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.040 2.903 -4.062 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.385 1.975 -6.163 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.440 3.363 -6.665 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.149 2.941 -7.273 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.305 0.836 -8.193 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.337 -0.505 -5.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.755 -2.042 -8.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.999 -2.905 -6.357 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.965 -3.682 -7.523 1.00 0.00 H new ATOM 258 N VAL A 37 -2.294 0.739 -3.399 1.00 0.00 N ATOM 259 CA VAL A 37 -1.927 -0.474 -2.607 1.00 0.00 C ATOM 260 C VAL A 37 -2.405 -0.253 -1.156 1.00 0.00 C ATOM 261 O VAL A 37 -3.001 0.752 -0.908 1.00 0.00 O ATOM 262 CB VAL A 37 -0.422 -0.748 -2.689 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.109 -2.036 -1.960 1.00 0.00 C ATOM 264 CG2 VAL A 37 -0.008 -0.918 -4.146 1.00 0.00 C ATOM 0 H VAL A 37 -3.299 0.828 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.415 -1.360 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 37 0.115 0.088 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.961 -2.235 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.407 -1.945 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.655 -2.858 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.063 -1.113 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.551 -1.756 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.239 -0.007 -4.699 1.00 0.00 H new ATOM 265 N ARG A 38 -2.179 -1.188 -0.221 1.00 0.00 N ATOM 266 CA ARG A 38 -2.617 -1.040 1.214 1.00 0.00 C ATOM 267 C ARG A 38 -3.514 -2.202 1.677 1.00 0.00 C ATOM 268 O ARG A 38 -4.712 -2.050 1.804 1.00 0.00 O ATOM 269 CB ARG A 38 -3.356 0.274 1.506 1.00 0.00 C ATOM 270 CG ARG A 38 -2.357 1.297 2.057 1.00 0.00 C ATOM 271 CD ARG A 38 -1.582 1.957 0.914 1.00 0.00 C ATOM 272 NE ARG A 38 -2.450 2.954 0.230 1.00 0.00 N ATOM 273 CZ ARG A 38 -2.847 4.020 0.872 1.00 0.00 C ATOM 274 NH1 ARG A 38 -2.123 5.105 0.843 1.00 0.00 N ATOM 275 NH2 ARG A 38 -3.966 3.997 1.545 1.00 0.00 N ATOM 0 H ARG A 38 -1.695 -2.065 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.681 -1.043 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.821 0.654 0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.156 0.104 2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.886 2.057 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.663 0.806 2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.688 2.444 1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.250 1.201 0.203 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.734 2.805 -0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.248 5.120 0.319 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.432 5.938 1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.529 3.147 1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.277 4.829 2.047 1.00 0.00 H new ATOM 276 N GLN A 39 -2.942 -3.341 1.995 1.00 0.00 N ATOM 277 CA GLN A 39 -3.768 -4.465 2.520 1.00 0.00 C ATOM 278 C GLN A 39 -2.922 -5.737 2.574 1.00 0.00 C ATOM 279 O GLN A 39 -1.816 -5.767 2.074 1.00 0.00 O ATOM 280 CB GLN A 39 -4.988 -4.665 1.641 1.00 0.00 C ATOM 281 CG GLN A 39 -6.233 -4.245 2.429 1.00 0.00 C ATOM 282 CD GLN A 39 -7.108 -5.471 2.695 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.609 -6.520 3.053 1.00 0.00 O ATOM 284 NE2 GLN A 39 -8.401 -5.385 2.532 1.00 0.00 N ATOM 0 H GLN A 39 -1.944 -3.536 1.913 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.109 -4.229 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.899 -4.073 0.730 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.068 -5.708 1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.941 -3.783 3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.796 -3.498 1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.820 -4.505 2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.992 -6.198 2.705 1.00 0.00 H new ATOM 285 N ALA A 40 -3.406 -6.782 3.198 1.00 0.00 N ATOM 286 CA ALA A 40 -2.581 -8.018 3.284 1.00 0.00 C ATOM 287 C ALA A 40 -3.327 -9.116 4.069 1.00 0.00 C ATOM 288 O ALA A 40 -4.389 -8.878 4.607 1.00 0.00 O ATOM 289 CB ALA A 40 -1.286 -7.654 4.002 1.00 0.00 C ATOM 0 H ALA A 40 -4.322 -6.830 3.644 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.377 -8.405 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.654 -8.538 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.761 -6.884 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.516 -7.279 4.999 1.00 0.00 H new ATOM 290 N PRO A 41 -2.729 -10.289 4.111 1.00 0.00 N ATOM 291 CA PRO A 41 -3.291 -11.463 4.825 1.00 0.00 C ATOM 292 C PRO A 41 -3.164 -11.268 6.336 1.00 0.00 C ATOM 293 O PRO A 41 -2.301 -11.841 6.970 1.00 0.00 O ATOM 294 CB PRO A 41 -2.397 -12.621 4.365 1.00 0.00 C ATOM 295 CG PRO A 41 -1.074 -11.976 3.902 1.00 0.00 C ATOM 296 CD PRO A 41 -1.431 -10.554 3.457 1.00 0.00 C ATOM 0 HA PRO A 41 -4.348 -11.628 4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.224 -13.327 5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.865 -13.177 3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.344 -11.960 4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.630 -12.541 3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.673 -9.836 3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.509 -10.483 2.372 1.00 0.00 H new ATOM 297 N GLY A 42 -3.992 -10.446 6.919 1.00 0.00 N ATOM 298 CA GLY A 42 -3.877 -10.206 8.385 1.00 0.00 C ATOM 299 C GLY A 42 -2.475 -9.687 8.677 1.00 0.00 C ATOM 300 O GLY A 42 -2.032 -9.648 9.808 1.00 0.00 O ATOM 0 H GLY A 42 -4.738 -9.934 6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.625 -9.483 8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.063 -11.128 8.936 1.00 0.00 H new ATOM 301 N LYS A 43 -1.784 -9.260 7.657 1.00 0.00 N ATOM 302 CA LYS A 43 -0.427 -8.712 7.851 1.00 0.00 C ATOM 303 C LYS A 43 -0.564 -7.193 7.875 1.00 0.00 C ATOM 304 O LYS A 43 0.360 -6.460 7.585 1.00 0.00 O ATOM 305 CB LYS A 43 0.469 -9.148 6.685 1.00 0.00 C ATOM 306 CG LYS A 43 1.810 -8.414 6.772 1.00 0.00 C ATOM 307 CD LYS A 43 2.911 -9.281 6.162 1.00 0.00 C ATOM 308 CE LYS A 43 4.277 -8.667 6.477 1.00 0.00 C ATOM 309 NZ LYS A 43 5.295 -9.748 6.606 1.00 0.00 N ATOM 0 H LYS A 43 -2.111 -9.270 6.691 1.00 0.00 H new ATOM 0 HA LYS A 43 0.022 -9.072 8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.629 -10.226 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.018 -8.927 5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.749 -7.462 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.045 -8.188 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.855 -10.294 6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.774 -9.356 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.566 -7.974 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.224 -8.092 7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.248 -9.338 6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.190 -10.215 7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.158 -10.446 5.847 1.00 0.00 H new ATOM 310 N GLU A 44 -1.740 -6.723 8.208 1.00 0.00 N ATOM 311 CA GLU A 44 -1.988 -5.261 8.245 1.00 0.00 C ATOM 312 C GLU A 44 -1.812 -4.706 6.829 1.00 0.00 C ATOM 313 O GLU A 44 -1.350 -5.398 5.943 1.00 0.00 O ATOM 314 CB GLU A 44 -1.019 -4.620 9.251 1.00 0.00 C ATOM 315 CG GLU A 44 0.063 -3.791 8.543 1.00 0.00 C ATOM 316 CD GLU A 44 1.132 -3.376 9.555 1.00 0.00 C ATOM 317 OE1 GLU A 44 0.955 -3.668 10.727 1.00 0.00 O ATOM 318 OE2 GLU A 44 2.108 -2.771 9.143 1.00 0.00 O ATOM 0 H GLU A 44 -2.543 -7.301 8.457 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.002 -5.032 8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.576 -3.982 9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.548 -5.399 9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.514 -4.373 7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.382 -2.908 8.085 1.00 0.00 H new ATOM 319 N ARG A 45 -2.194 -3.480 6.595 1.00 0.00 N ATOM 320 CA ARG A 45 -2.054 -2.926 5.219 1.00 0.00 C ATOM 321 C ARG A 45 -0.644 -3.146 4.711 1.00 0.00 C ATOM 322 O ARG A 45 0.183 -3.777 5.337 1.00 0.00 O ATOM 323 CB ARG A 45 -2.296 -1.420 5.197 1.00 0.00 C ATOM 324 CG ARG A 45 -3.700 -1.119 4.679 1.00 0.00 C ATOM 325 CD ARG A 45 -4.158 0.243 5.200 1.00 0.00 C ATOM 326 NE ARG A 45 -5.648 0.304 5.195 1.00 0.00 N ATOM 327 CZ ARG A 45 -6.263 1.335 5.711 1.00 0.00 C ATOM 328 NH1 ARG A 45 -5.635 2.119 6.542 1.00 0.00 N ATOM 329 NH2 ARG A 45 -7.506 1.578 5.395 1.00 0.00 N ATOM 0 H ARG A 45 -2.592 -2.845 7.287 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.790 -3.436 4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.175 -1.010 6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.555 -0.934 4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.705 -1.123 3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.393 -1.895 5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.781 0.403 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.749 1.038 4.577 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.188 -0.460 4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.664 1.927 6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.115 2.924 6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.997 0.963 4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.987 2.383 5.797 1.00 0.00 H new ATOM 330 N GLU A 46 -0.376 -2.593 3.576 1.00 0.00 N ATOM 331 CA GLU A 46 0.961 -2.708 2.975 1.00 0.00 C ATOM 332 C GLU A 46 0.909 -2.040 1.614 1.00 0.00 C ATOM 333 O GLU A 46 0.390 -2.594 0.665 1.00 0.00 O ATOM 334 CB GLU A 46 1.327 -4.180 2.823 1.00 0.00 C ATOM 335 CG GLU A 46 2.845 -4.345 2.934 1.00 0.00 C ATOM 336 CD GLU A 46 3.529 -3.482 1.872 1.00 0.00 C ATOM 337 OE1 GLU A 46 3.752 -2.313 2.141 1.00 0.00 O ATOM 338 OE2 GLU A 46 3.818 -4.005 0.808 1.00 0.00 O ATOM 0 H GLU A 46 -1.045 -2.053 3.027 1.00 0.00 H new ATOM 0 HA GLU A 46 1.713 -2.230 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.830 -4.770 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.980 -4.554 1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.182 -4.052 3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.119 -5.391 2.800 1.00 0.00 H new ATOM 339 N ILE A 47 1.425 -0.846 1.516 1.00 0.00 N ATOM 340 CA ILE A 47 1.402 -0.135 0.214 1.00 0.00 C ATOM 341 C ILE A 47 2.491 -0.717 -0.665 1.00 0.00 C ATOM 342 O ILE A 47 3.298 -1.516 -0.233 1.00 0.00 O ATOM 343 CB ILE A 47 1.696 1.361 0.419 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.195 2.156 -0.809 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.206 1.568 0.601 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.364 2.600 -1.721 1.00 0.00 C ATOM 0 H ILE A 47 1.861 -0.335 2.283 1.00 0.00 H new ATOM 0 HA ILE A 47 0.420 -0.251 -0.244 1.00 0.00 H new ATOM 0 HB ILE A 47 1.180 1.717 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.500 1.541 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.642 3.033 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.413 2.628 0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.547 1.009 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.731 1.214 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.971 3.155 -2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.045 3.236 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.901 1.721 -2.078 1.00 0.00 H new ATOM 347 N VAL A 48 2.557 -0.278 -1.873 1.00 0.00 N ATOM 348 CA VAL A 48 3.634 -0.744 -2.753 1.00 0.00 C ATOM 349 C VAL A 48 4.146 0.452 -3.539 1.00 0.00 C ATOM 350 O VAL A 48 5.325 0.564 -3.793 1.00 0.00 O ATOM 351 CB VAL A 48 3.161 -1.833 -3.696 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.354 -2.278 -4.536 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.651 -3.027 -2.884 1.00 0.00 C ATOM 0 H VAL A 48 1.907 0.388 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 48 4.430 -1.178 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 48 2.357 -1.460 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.041 -3.063 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.737 -1.429 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.137 -2.660 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.311 -3.810 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.457 -3.413 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.822 -2.709 -2.252 1.00 0.00 H new ATOM 354 N SER A 49 3.304 1.387 -3.915 1.00 0.00 N ATOM 355 CA SER A 49 3.879 2.540 -4.648 1.00 0.00 C ATOM 356 C SER A 49 2.825 3.552 -5.084 1.00 0.00 C ATOM 357 O SER A 49 1.639 3.273 -5.152 1.00 0.00 O ATOM 358 CB SER A 49 4.625 2.019 -5.874 1.00 0.00 C ATOM 359 OG SER A 49 6.024 2.153 -5.667 1.00 0.00 O ATOM 0 H SER A 49 2.297 1.399 -3.754 1.00 0.00 H new ATOM 0 HA SER A 49 4.554 3.061 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.371 0.974 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.322 2.575 -6.761 1.00 0.00 H new ATOM 0 HG SER A 49 6.227 3.071 -5.391 1.00 0.00 H new ATOM 360 N ALA A 50 3.276 4.741 -5.382 1.00 0.00 N ATOM 361 CA ALA A 50 2.337 5.811 -5.830 1.00 0.00 C ATOM 362 C ALA A 50 3.121 6.930 -6.537 1.00 0.00 C ATOM 363 O ALA A 50 4.333 6.953 -6.527 1.00 0.00 O ATOM 364 CB ALA A 50 1.601 6.374 -4.615 1.00 0.00 C ATOM 0 H ALA A 50 4.256 5.018 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 50 1.613 5.394 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.913 7.156 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.041 5.576 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.323 6.791 -3.913 1.00 0.00 H new ATOM 365 N VAL A 51 2.431 7.856 -7.159 1.00 0.00 N ATOM 366 CA VAL A 51 3.123 8.971 -7.870 1.00 0.00 C ATOM 367 C VAL A 51 2.257 10.230 -7.777 1.00 0.00 C ATOM 368 O VAL A 51 1.433 10.488 -8.630 1.00 0.00 O ATOM 369 CB VAL A 51 3.314 8.605 -9.342 1.00 0.00 C ATOM 370 CG1 VAL A 51 1.997 8.067 -9.905 1.00 0.00 C ATOM 371 CG2 VAL A 51 3.726 9.854 -10.126 1.00 0.00 C ATOM 0 H VAL A 51 1.412 7.885 -7.203 1.00 0.00 H new ATOM 0 HA VAL A 51 4.096 9.148 -7.412 1.00 0.00 H new ATOM 0 HB VAL A 51 4.089 7.844 -9.432 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.130 7.805 -10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.697 7.181 -9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.225 8.831 -9.817 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.863 9.596 -11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.948 10.612 -10.037 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.661 10.244 -9.724 1.00 0.00 H new ATOM 372 N SER A 52 2.425 11.008 -6.747 1.00 0.00 N ATOM 373 CA SER A 52 1.589 12.235 -6.609 1.00 0.00 C ATOM 374 C SER A 52 2.464 13.469 -6.415 1.00 0.00 C ATOM 375 O SER A 52 3.667 13.425 -6.570 1.00 0.00 O ATOM 376 CB SER A 52 0.680 12.083 -5.400 1.00 0.00 C ATOM 377 OG SER A 52 -0.674 12.195 -5.816 1.00 0.00 O ATOM 0 H SER A 52 3.100 10.851 -5.998 1.00 0.00 H new ATOM 0 HA SER A 52 1.001 12.360 -7.518 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.848 11.117 -4.923 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.910 12.849 -4.659 1.00 0.00 H new ATOM 0 HG SER A 52 -1.097 12.948 -5.354 1.00 0.00 H new ATOM 378 N GLY A 53 1.855 14.577 -6.080 1.00 0.00 N ATOM 379 CA GLY A 53 2.631 15.831 -5.873 1.00 0.00 C ATOM 380 C GLY A 53 3.367 16.177 -7.163 1.00 0.00 C ATOM 381 O GLY A 53 4.562 15.993 -7.276 1.00 0.00 O ATOM 0 H GLY A 53 0.848 14.665 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.963 16.645 -5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.342 15.704 -5.056 1.00 0.00 H new ATOM 382 N SER A 54 2.661 16.660 -8.149 1.00 0.00 N ATOM 383 CA SER A 54 3.330 16.994 -9.434 1.00 0.00 C ATOM 384 C SER A 54 4.182 15.799 -9.855 1.00 0.00 C ATOM 385 O SER A 54 5.141 15.930 -10.589 1.00 0.00 O ATOM 386 CB SER A 54 4.225 18.219 -9.241 1.00 0.00 C ATOM 387 OG SER A 54 3.735 18.989 -8.151 1.00 0.00 O ATOM 0 H SER A 54 1.657 16.836 -8.119 1.00 0.00 H new ATOM 0 HA SER A 54 2.587 17.215 -10.200 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.252 17.907 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.239 18.821 -10.150 1.00 0.00 H new ATOM 0 HG SER A 54 4.307 19.775 -8.022 1.00 0.00 H new ATOM 388 N GLY A 55 3.836 14.633 -9.381 1.00 0.00 N ATOM 389 CA GLY A 55 4.616 13.416 -9.729 1.00 0.00 C ATOM 390 C GLY A 55 5.787 13.266 -8.755 1.00 0.00 C ATOM 391 O GLY A 55 6.175 12.168 -8.407 1.00 0.00 O ATOM 0 H GLY A 55 3.040 14.472 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.976 12.535 -9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.986 13.488 -10.752 1.00 0.00 H new ATOM 392 N GLY A 56 6.350 14.357 -8.301 1.00 0.00 N ATOM 393 CA GLY A 56 7.484 14.261 -7.339 1.00 0.00 C ATOM 394 C GLY A 56 7.139 13.216 -6.282 1.00 0.00 C ATOM 395 O GLY A 56 7.856 12.257 -6.083 1.00 0.00 O ATOM 0 H GLY A 56 6.073 15.305 -8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.400 13.983 -7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.665 15.228 -6.870 1.00 0.00 H new ATOM 396 N SER A 57 6.029 13.383 -5.615 1.00 0.00 N ATOM 397 CA SER A 57 5.627 12.387 -4.591 1.00 0.00 C ATOM 398 C SER A 57 5.735 10.991 -5.203 1.00 0.00 C ATOM 399 O SER A 57 5.410 10.782 -6.356 1.00 0.00 O ATOM 400 CB SER A 57 4.184 12.651 -4.158 1.00 0.00 C ATOM 401 OG SER A 57 4.098 12.573 -2.742 1.00 0.00 O ATOM 0 H SER A 57 5.387 14.166 -5.737 1.00 0.00 H new ATOM 0 HA SER A 57 6.277 12.462 -3.719 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.864 13.635 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.515 11.922 -4.615 1.00 0.00 H new ATOM 0 HG SER A 57 3.175 12.743 -2.460 1.00 0.00 H new ATOM 402 N THR A 58 6.188 10.035 -4.443 1.00 0.00 N ATOM 403 CA THR A 58 6.323 8.654 -4.980 1.00 0.00 C ATOM 404 C THR A 58 6.373 7.686 -3.804 1.00 0.00 C ATOM 405 O THR A 58 7.065 7.914 -2.831 1.00 0.00 O ATOM 406 CB THR A 58 7.609 8.543 -5.805 1.00 0.00 C ATOM 407 OG1 THR A 58 8.681 9.150 -5.096 1.00 0.00 O ATOM 408 CG2 THR A 58 7.419 9.251 -7.147 1.00 0.00 C ATOM 0 H THR A 58 6.471 10.151 -3.470 1.00 0.00 H new ATOM 0 HA THR A 58 5.476 8.415 -5.624 1.00 0.00 H new ATOM 0 HB THR A 58 7.838 7.492 -5.979 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.504 9.078 -5.623 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.335 9.171 -7.733 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.598 8.785 -7.691 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.189 10.302 -6.974 1.00 0.00 H new ATOM 409 N TYR A 59 5.630 6.620 -3.867 1.00 0.00 N ATOM 410 CA TYR A 59 5.626 5.665 -2.731 1.00 0.00 C ATOM 411 C TYR A 59 6.264 4.344 -3.127 1.00 0.00 C ATOM 412 O TYR A 59 6.335 3.997 -4.291 1.00 0.00 O ATOM 413 CB TYR A 59 4.203 5.422 -2.292 1.00 0.00 C ATOM 414 CG TYR A 59 4.074 5.821 -0.854 1.00 0.00 C ATOM 415 CD1 TYR A 59 3.914 7.169 -0.516 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.125 4.846 0.139 1.00 0.00 C ATOM 417 CE1 TYR A 59 3.802 7.539 0.830 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.012 5.210 1.484 1.00 0.00 C ATOM 419 CZ TYR A 59 3.850 6.559 1.831 1.00 0.00 C ATOM 420 OH TYR A 59 3.739 6.921 3.158 1.00 0.00 O ATOM 0 H TYR A 59 5.029 6.370 -4.652 1.00 0.00 H new ATOM 0 HA TYR A 59 6.205 6.095 -1.914 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.513 5.998 -2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.942 4.371 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.877 7.921 -1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.252 3.808 -0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.679 8.578 1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.049 4.454 2.254 1.00 0.00 H new ATOM 0 HH TYR A 59 3.791 6.120 3.721 1.00 0.00 H new ATOM 421 N TYR A 60 6.758 3.630 -2.141 1.00 0.00 N ATOM 422 CA TYR A 60 7.451 2.329 -2.379 1.00 0.00 C ATOM 423 C TYR A 60 7.201 1.384 -1.198 1.00 0.00 C ATOM 424 O TYR A 60 8.120 1.020 -0.494 1.00 0.00 O ATOM 425 CB TYR A 60 8.959 2.582 -2.450 1.00 0.00 C ATOM 426 CG TYR A 60 9.284 3.461 -3.625 1.00 0.00 C ATOM 427 CD1 TYR A 60 8.883 4.797 -3.624 1.00 0.00 C ATOM 428 CD2 TYR A 60 9.992 2.940 -4.710 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.187 5.620 -4.711 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.302 3.757 -5.799 1.00 0.00 C ATOM 431 CZ TYR A 60 9.899 5.101 -5.803 1.00 0.00 C ATOM 432 OH TYR A 60 10.202 5.911 -6.880 1.00 0.00 O ATOM 0 H TYR A 60 6.706 3.905 -1.160 1.00 0.00 H new ATOM 0 HA TYR A 60 7.076 1.889 -3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.300 3.054 -1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.490 1.634 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.337 5.196 -2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.300 1.905 -4.707 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.875 6.654 -4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.851 3.355 -6.637 1.00 0.00 H new ATOM 0 HH TYR A 60 10.699 5.394 -7.548 1.00 0.00 H new ATOM 433 N ALA A 61 5.985 0.981 -0.963 1.00 0.00 N ATOM 434 CA ALA A 61 5.734 0.065 0.189 1.00 0.00 C ATOM 435 C ALA A 61 6.297 0.686 1.470 1.00 0.00 C ATOM 436 O ALA A 61 5.624 1.421 2.166 1.00 0.00 O ATOM 437 CB ALA A 61 6.425 -1.271 -0.057 1.00 0.00 C ATOM 0 H ALA A 61 5.163 1.240 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 61 4.660 -0.090 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.240 -1.937 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.032 -1.721 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.498 -1.111 -0.164 1.00 0.00 H new ATOM 438 N ASP A 62 7.530 0.394 1.783 1.00 0.00 N ATOM 439 CA ASP A 62 8.152 0.957 3.012 1.00 0.00 C ATOM 440 C ASP A 62 9.529 0.319 3.204 1.00 0.00 C ATOM 441 O ASP A 62 10.549 0.945 2.995 1.00 0.00 O ATOM 442 CB ASP A 62 7.271 0.650 4.222 1.00 0.00 C ATOM 443 CG ASP A 62 7.204 1.881 5.127 1.00 0.00 C ATOM 444 OD1 ASP A 62 6.367 2.731 4.877 1.00 0.00 O ATOM 445 OD2 ASP A 62 7.995 1.953 6.054 1.00 0.00 O ATOM 0 H ASP A 62 8.137 -0.216 1.235 1.00 0.00 H new ATOM 0 HA ASP A 62 8.254 2.038 2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.269 0.371 3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.675 -0.199 4.774 1.00 0.00 H new ATOM 446 N SER A 63 9.566 -0.929 3.584 1.00 0.00 N ATOM 447 CA SER A 63 10.878 -1.610 3.767 1.00 0.00 C ATOM 448 C SER A 63 11.532 -1.792 2.400 1.00 0.00 C ATOM 449 O SER A 63 12.685 -2.160 2.292 1.00 0.00 O ATOM 450 CB SER A 63 10.658 -2.981 4.401 1.00 0.00 C ATOM 451 OG SER A 63 9.737 -2.860 5.477 1.00 0.00 O ATOM 0 H SER A 63 8.746 -1.505 3.775 1.00 0.00 H new ATOM 0 HA SER A 63 11.518 -1.009 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.276 -3.681 3.658 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.605 -3.384 4.761 1.00 0.00 H new ATOM 0 HG SER A 63 9.593 -3.739 5.885 1.00 0.00 H new ATOM 452 N VAL A 64 10.798 -1.534 1.352 1.00 0.00 N ATOM 453 CA VAL A 64 11.364 -1.686 -0.016 1.00 0.00 C ATOM 454 C VAL A 64 11.812 -0.316 -0.516 1.00 0.00 C ATOM 455 O VAL A 64 12.060 -0.129 -1.686 1.00 0.00 O ATOM 456 CB VAL A 64 10.312 -2.259 -0.984 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.845 -3.548 -1.613 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.010 -2.565 -0.237 1.00 0.00 C ATOM 0 H VAL A 64 9.827 -1.223 1.386 1.00 0.00 H new ATOM 0 HA VAL A 64 12.208 -2.375 0.025 1.00 0.00 H new ATOM 0 HB VAL A 64 10.112 -1.521 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.100 -3.953 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.763 -3.333 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.052 -4.277 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.277 -2.969 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.204 -3.295 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.621 -1.649 0.207 1.00 0.00 H new ATOM 459 N LYS A 65 11.917 0.646 0.365 1.00 0.00 N ATOM 460 CA LYS A 65 12.351 2.006 -0.068 1.00 0.00 C ATOM 461 C LYS A 65 13.532 1.867 -1.027 1.00 0.00 C ATOM 462 O LYS A 65 14.362 0.994 -0.878 1.00 0.00 O ATOM 463 CB LYS A 65 12.774 2.825 1.155 1.00 0.00 C ATOM 464 CG LYS A 65 14.006 2.186 1.795 1.00 0.00 C ATOM 465 CD LYS A 65 13.789 2.056 3.304 1.00 0.00 C ATOM 466 CE LYS A 65 13.731 0.576 3.686 1.00 0.00 C ATOM 467 NZ LYS A 65 14.290 0.394 5.057 1.00 0.00 N ATOM 0 H LYS A 65 11.722 0.548 1.361 1.00 0.00 H new ATOM 0 HA LYS A 65 11.527 2.514 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.995 3.851 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.958 2.869 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.188 1.204 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.889 2.793 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.598 2.550 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.863 2.554 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.701 0.221 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.297 -0.018 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.251 -0.612 5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.278 0.718 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.731 0.949 5.736 1.00 0.00 H new ATOM 468 N GLY A 66 13.612 2.710 -2.020 1.00 0.00 N ATOM 469 CA GLY A 66 14.740 2.603 -2.990 1.00 0.00 C ATOM 470 C GLY A 66 14.843 1.155 -3.469 1.00 0.00 C ATOM 471 O GLY A 66 15.910 0.665 -3.782 1.00 0.00 O ATOM 0 H GLY A 66 12.950 3.464 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.574 3.269 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.673 2.912 -2.519 1.00 0.00 H new ATOM 472 N ARG A 67 13.735 0.466 -3.519 1.00 0.00 N ATOM 473 CA ARG A 67 13.752 -0.958 -3.967 1.00 0.00 C ATOM 474 C ARG A 67 12.373 -1.344 -4.515 1.00 0.00 C ATOM 475 O ARG A 67 12.066 -2.509 -4.672 1.00 0.00 O ATOM 476 CB ARG A 67 14.096 -1.857 -2.777 1.00 0.00 C ATOM 477 CG ARG A 67 15.516 -2.402 -2.939 1.00 0.00 C ATOM 478 CD ARG A 67 15.995 -2.983 -1.608 1.00 0.00 C ATOM 479 NE ARG A 67 17.483 -2.938 -1.554 1.00 0.00 N ATOM 480 CZ ARG A 67 18.191 -3.589 -2.438 1.00 0.00 C ATOM 481 NH1 ARG A 67 17.855 -4.804 -2.772 1.00 0.00 N ATOM 482 NH2 ARG A 67 19.230 -3.023 -2.989 1.00 0.00 N ATOM 0 H ARG A 67 12.815 0.829 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 67 14.499 -1.083 -4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.016 -1.293 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.385 -2.680 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.536 -3.171 -3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.187 -1.607 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.573 -2.416 -0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.647 -4.011 -1.501 1.00 0.00 H new ATOM 0 HE ARG A 67 17.950 -2.398 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.041 -5.244 -2.343 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.406 -5.314 -3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.490 -2.071 -2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.782 -3.532 -3.679 1.00 0.00 H new ATOM 483 N PHE A 68 11.547 -0.376 -4.813 1.00 0.00 N ATOM 484 CA PHE A 68 10.188 -0.668 -5.357 1.00 0.00 C ATOM 485 C PHE A 68 9.966 0.259 -6.552 1.00 0.00 C ATOM 486 O PHE A 68 10.653 1.251 -6.698 1.00 0.00 O ATOM 487 CB PHE A 68 9.144 -0.369 -4.278 1.00 0.00 C ATOM 488 CG PHE A 68 8.498 -1.638 -3.757 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.124 -2.883 -3.900 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.263 -1.556 -3.106 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.514 -4.035 -3.390 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.654 -2.706 -2.601 1.00 0.00 C ATOM 493 CZ PHE A 68 7.278 -3.944 -2.738 1.00 0.00 C ATOM 0 H PHE A 68 11.759 0.616 -4.701 1.00 0.00 H new ATOM 0 HA PHE A 68 10.101 -1.712 -5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.616 0.165 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.377 0.289 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.077 -2.954 -4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.778 -0.598 -2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.997 -4.995 -3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.698 -2.636 -2.104 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.809 -4.833 -2.342 1.00 0.00 H new ATOM 494 N THR A 69 9.040 -0.036 -7.425 1.00 0.00 N ATOM 495 CA THR A 69 8.859 0.876 -8.592 1.00 0.00 C ATOM 496 C THR A 69 7.381 1.051 -8.961 1.00 0.00 C ATOM 497 O THR A 69 6.651 0.096 -9.146 1.00 0.00 O ATOM 498 CB THR A 69 9.608 0.296 -9.792 1.00 0.00 C ATOM 499 OG1 THR A 69 9.707 1.278 -10.816 1.00 0.00 O ATOM 500 CG2 THR A 69 8.848 -0.919 -10.316 1.00 0.00 C ATOM 0 H THR A 69 8.418 -0.843 -7.385 1.00 0.00 H new ATOM 0 HA THR A 69 9.253 1.855 -8.320 1.00 0.00 H new ATOM 0 HB THR A 69 10.611 -0.003 -9.488 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.189 0.904 -11.583 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.377 -1.338 -11.172 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.778 -1.671 -9.530 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.846 -0.618 -10.621 1.00 0.00 H new ATOM 501 N ILE A 70 6.958 2.280 -9.111 1.00 0.00 N ATOM 502 CA ILE A 70 5.551 2.570 -9.517 1.00 0.00 C ATOM 503 C ILE A 70 5.482 2.507 -11.046 1.00 0.00 C ATOM 504 O ILE A 70 5.446 3.522 -11.712 1.00 0.00 O ATOM 505 CB ILE A 70 5.179 3.975 -9.052 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.816 4.363 -9.632 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.240 4.944 -9.548 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.810 3.242 -9.367 1.00 0.00 C ATOM 0 H ILE A 70 7.538 3.107 -8.967 1.00 0.00 H new ATOM 0 HA ILE A 70 4.864 1.849 -9.074 1.00 0.00 H new ATOM 0 HB ILE A 70 5.123 4.007 -7.964 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.468 5.292 -9.181 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.903 4.542 -10.704 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.990 5.954 -9.224 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.210 4.662 -9.139 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.282 4.912 -10.637 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.840 3.519 -9.780 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.157 2.323 -9.839 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.715 3.085 -8.293 1.00 0.00 H new ATOM 509 N SER A 71 5.476 1.328 -11.613 1.00 0.00 N ATOM 510 CA SER A 71 5.424 1.229 -13.099 1.00 0.00 C ATOM 511 C SER A 71 4.134 1.877 -13.585 1.00 0.00 C ATOM 512 O SER A 71 3.122 1.818 -12.918 1.00 0.00 O ATOM 513 CB SER A 71 5.453 -0.239 -13.523 1.00 0.00 C ATOM 514 OG SER A 71 6.776 -0.592 -13.904 1.00 0.00 O ATOM 0 H SER A 71 5.505 0.438 -11.115 1.00 0.00 H new ATOM 0 HA SER A 71 6.284 1.738 -13.534 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.117 -0.873 -12.702 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.767 -0.403 -14.354 1.00 0.00 H new ATOM 0 HG SER A 71 6.798 -1.534 -14.175 1.00 0.00 H new ATOM 515 N ARG A 72 4.146 2.508 -14.729 1.00 0.00 N ATOM 516 CA ARG A 72 2.892 3.151 -15.195 1.00 0.00 C ATOM 517 C ARG A 72 2.682 2.946 -16.703 1.00 0.00 C ATOM 518 O ARG A 72 3.620 2.833 -17.466 1.00 0.00 O ATOM 519 CB ARG A 72 2.911 4.645 -14.816 1.00 0.00 C ATOM 520 CG ARG A 72 3.019 5.538 -16.059 1.00 0.00 C ATOM 521 CD ARG A 72 1.655 5.620 -16.744 1.00 0.00 C ATOM 522 NE ARG A 72 1.320 7.047 -17.016 1.00 0.00 N ATOM 523 CZ ARG A 72 2.028 7.735 -17.871 1.00 0.00 C ATOM 524 NH1 ARG A 72 3.027 7.177 -18.498 1.00 0.00 N ATOM 525 NH2 ARG A 72 1.734 8.984 -18.103 1.00 0.00 N ATOM 0 H ARG A 72 4.952 2.603 -15.346 1.00 0.00 H new ATOM 0 HA ARG A 72 2.045 2.678 -14.699 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.004 4.894 -14.266 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.752 4.842 -14.151 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.357 6.535 -15.776 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.761 5.134 -16.748 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.670 5.055 -17.676 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.890 5.170 -16.111 1.00 0.00 H new ATOM 0 HE ARG A 72 0.536 7.487 -16.533 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.258 6.199 -18.321 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.577 7.718 -19.165 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.952 9.423 -17.617 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.286 9.522 -18.771 1.00 0.00 H new ATOM 526 N ASP A 73 1.440 2.906 -17.127 1.00 0.00 N ATOM 527 CA ASP A 73 1.134 2.721 -18.572 1.00 0.00 C ATOM 528 C ASP A 73 0.094 3.772 -18.992 1.00 0.00 C ATOM 529 O ASP A 73 -1.104 3.615 -18.779 1.00 0.00 O ATOM 530 CB ASP A 73 0.599 1.305 -18.818 1.00 0.00 C ATOM 531 CG ASP A 73 1.513 0.282 -18.141 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.922 0.529 -17.020 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.791 -0.734 -18.757 1.00 0.00 O ATOM 0 H ASP A 73 0.622 2.995 -16.524 1.00 0.00 H new ATOM 0 HA ASP A 73 2.040 2.848 -19.165 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.415 1.216 -18.427 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.546 1.107 -19.889 1.00 0.00 H new ATOM 534 N ASN A 74 0.576 4.856 -19.555 1.00 0.00 N ATOM 535 CA ASN A 74 -0.297 5.990 -19.991 1.00 0.00 C ATOM 536 C ASN A 74 -1.382 5.535 -20.973 1.00 0.00 C ATOM 537 O ASN A 74 -2.553 5.512 -20.648 1.00 0.00 O ATOM 538 CB ASN A 74 0.575 7.028 -20.688 1.00 0.00 C ATOM 539 CG ASN A 74 0.088 8.433 -20.328 1.00 0.00 C ATOM 540 OD1 ASN A 74 -0.929 8.590 -19.682 1.00 0.00 O ATOM 541 ND2 ASN A 74 0.777 9.469 -20.720 1.00 0.00 N ATOM 0 H ASN A 74 1.569 5.004 -19.735 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.787 6.399 -19.108 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.615 6.905 -20.387 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.536 6.884 -21.768 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.462 10.410 -20.484 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.631 9.338 -21.262 1.00 0.00 H new ATOM 542 N SER A 75 -1.006 5.212 -22.186 1.00 0.00 N ATOM 543 CA SER A 75 -2.018 4.793 -23.204 1.00 0.00 C ATOM 544 C SER A 75 -2.361 3.316 -23.024 1.00 0.00 C ATOM 545 O SER A 75 -2.454 2.567 -23.976 1.00 0.00 O ATOM 546 CB SER A 75 -1.449 5.015 -24.607 1.00 0.00 C ATOM 547 OG SER A 75 -2.451 5.589 -25.434 1.00 0.00 O ATOM 0 H SER A 75 -0.041 5.221 -22.515 1.00 0.00 H new ATOM 0 HA SER A 75 -2.922 5.388 -23.074 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.580 5.671 -24.560 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.111 4.068 -25.029 1.00 0.00 H new ATOM 0 HG SER A 75 -2.089 5.734 -26.333 1.00 0.00 H new ATOM 548 N LYS A 76 -2.539 2.893 -21.808 1.00 0.00 N ATOM 549 CA LYS A 76 -2.862 1.470 -21.547 1.00 0.00 C ATOM 550 C LYS A 76 -4.057 1.380 -20.594 1.00 0.00 C ATOM 551 O LYS A 76 -4.714 0.363 -20.515 1.00 0.00 O ATOM 552 CB LYS A 76 -1.646 0.808 -20.910 1.00 0.00 C ATOM 553 CG LYS A 76 -0.483 0.813 -21.912 1.00 0.00 C ATOM 554 CD LYS A 76 0.222 2.181 -21.911 1.00 0.00 C ATOM 555 CE LYS A 76 0.521 2.598 -23.353 1.00 0.00 C ATOM 556 NZ LYS A 76 1.996 2.675 -23.556 1.00 0.00 N ATOM 0 H LYS A 76 -2.474 3.479 -20.976 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.116 0.966 -22.480 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.361 1.340 -20.002 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.885 -0.215 -20.618 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.230 0.030 -21.655 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.855 0.590 -22.912 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.409 2.927 -21.428 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.147 2.126 -21.337 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.085 1.880 -24.048 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.064 3.564 -23.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.197 2.958 -24.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.400 3.376 -22.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.421 1.744 -23.371 1.00 0.00 H new ATOM 557 N ASN A 77 -4.332 2.440 -19.870 1.00 0.00 N ATOM 558 CA ASN A 77 -5.465 2.451 -18.917 1.00 0.00 C ATOM 559 C ASN A 77 -4.990 1.956 -17.555 1.00 0.00 C ATOM 560 O ASN A 77 -5.782 1.510 -16.758 1.00 0.00 O ATOM 561 CB ASN A 77 -6.637 1.599 -19.448 1.00 0.00 C ATOM 562 CG ASN A 77 -6.635 0.195 -18.822 1.00 0.00 C ATOM 563 OD1 ASN A 77 -5.594 -0.346 -18.504 1.00 0.00 O ATOM 564 ND2 ASN A 77 -7.771 -0.417 -18.628 1.00 0.00 N ATOM 0 H ASN A 77 -3.802 3.311 -19.908 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.831 3.472 -18.808 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.581 2.097 -19.227 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.567 1.516 -20.533 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.784 -1.347 -18.210 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.646 0.035 -18.894 1.00 0.00 H new ATOM 565 N THR A 78 -3.720 2.054 -17.248 1.00 0.00 N ATOM 566 CA THR A 78 -3.304 1.604 -15.896 1.00 0.00 C ATOM 567 C THR A 78 -1.804 1.746 -15.705 1.00 0.00 C ATOM 568 O THR A 78 -1.051 1.906 -16.637 1.00 0.00 O ATOM 569 CB THR A 78 -3.690 0.139 -15.731 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.120 -0.374 -14.536 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.168 -0.646 -16.932 1.00 0.00 C ATOM 0 H THR A 78 -2.982 2.413 -17.853 1.00 0.00 H new ATOM 0 HA THR A 78 -3.803 2.225 -15.152 1.00 0.00 H new ATOM 0 HB THR A 78 -4.774 0.046 -15.673 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.813 -0.827 -14.012 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.438 -1.697 -16.825 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.609 -0.249 -17.846 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.083 -0.554 -16.983 1.00 0.00 H new ATOM 572 N LEU A 79 -1.377 1.658 -14.483 1.00 0.00 N ATOM 573 CA LEU A 79 0.071 1.744 -14.179 1.00 0.00 C ATOM 574 C LEU A 79 0.440 0.453 -13.462 1.00 0.00 C ATOM 575 O LEU A 79 -0.376 -0.120 -12.796 1.00 0.00 O ATOM 576 CB LEU A 79 0.347 2.960 -13.291 1.00 0.00 C ATOM 577 CG LEU A 79 -0.692 3.021 -12.184 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.096 3.717 -10.961 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.911 3.796 -12.683 1.00 0.00 C ATOM 0 H LEU A 79 -1.979 1.528 -13.670 1.00 0.00 H new ATOM 0 HA LEU A 79 0.665 1.864 -15.085 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.347 2.892 -12.863 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.316 3.873 -13.885 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.994 2.012 -11.905 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.842 3.760 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.773 3.159 -10.612 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.207 4.729 -11.230 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.660 3.843 -11.893 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.611 4.807 -12.960 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.332 3.291 -13.553 1.00 0.00 H new ATOM 580 N TYR A 80 1.626 -0.049 -13.630 1.00 0.00 N ATOM 581 CA TYR A 80 1.959 -1.353 -12.987 1.00 0.00 C ATOM 582 C TYR A 80 2.903 -1.163 -11.808 1.00 0.00 C ATOM 583 O TYR A 80 3.465 -0.108 -11.603 1.00 0.00 O ATOM 584 CB TYR A 80 2.619 -2.261 -14.027 1.00 0.00 C ATOM 585 CG TYR A 80 1.643 -2.591 -15.141 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.914 -1.576 -15.789 1.00 0.00 C ATOM 587 CD2 TYR A 80 1.481 -3.923 -15.541 1.00 0.00 C ATOM 588 CE1 TYR A 80 0.033 -1.899 -16.825 1.00 0.00 C ATOM 589 CE2 TYR A 80 0.599 -4.243 -16.580 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.125 -3.231 -17.222 1.00 0.00 C ATOM 591 OH TYR A 80 -0.994 -3.548 -18.247 1.00 0.00 O ATOM 0 H TYR A 80 2.374 0.377 -14.177 1.00 0.00 H new ATOM 0 HA TYR A 80 1.039 -1.804 -12.614 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.500 -1.770 -14.441 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.961 -3.180 -13.551 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.036 -0.547 -15.485 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.038 -4.705 -15.047 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.527 -1.119 -17.320 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.477 -5.271 -16.887 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.983 -4.516 -18.397 1.00 0.00 H new ATOM 592 N LEU A 81 3.071 -2.198 -11.029 1.00 0.00 N ATOM 593 CA LEU A 81 3.970 -2.112 -9.850 1.00 0.00 C ATOM 594 C LEU A 81 4.945 -3.276 -9.850 1.00 0.00 C ATOM 595 O LEU A 81 4.558 -4.419 -9.684 1.00 0.00 O ATOM 596 CB LEU A 81 3.163 -2.236 -8.558 1.00 0.00 C ATOM 597 CG LEU A 81 2.630 -0.885 -8.104 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.309 -0.955 -6.607 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.667 0.205 -8.313 1.00 0.00 C ATOM 0 H LEU A 81 2.620 -3.103 -11.163 1.00 0.00 H new ATOM 0 HA LEU A 81 4.489 -1.155 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.332 -2.924 -8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.790 -2.663 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 81 1.740 -0.652 -8.688 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.926 0.009 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.558 -1.725 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.215 -1.199 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.262 1.161 -7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.562 -0.029 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.922 0.267 -9.371 1.00 0.00 H new ATOM 600 N GLN A 82 6.202 -2.994 -9.950 1.00 0.00 N ATOM 601 CA GLN A 82 7.195 -4.082 -9.855 1.00 0.00 C ATOM 602 C GLN A 82 7.707 -4.003 -8.416 1.00 0.00 C ATOM 603 O GLN A 82 8.491 -3.136 -8.070 1.00 0.00 O ATOM 604 CB GLN A 82 8.338 -3.858 -10.848 1.00 0.00 C ATOM 605 CG GLN A 82 7.791 -3.189 -12.110 1.00 0.00 C ATOM 606 CD GLN A 82 8.720 -3.480 -13.291 1.00 0.00 C ATOM 607 OE1 GLN A 82 9.615 -2.712 -13.580 1.00 0.00 O ATOM 608 NE2 GLN A 82 8.539 -4.567 -13.991 1.00 0.00 N ATOM 0 H GLN A 82 6.585 -2.060 -10.093 1.00 0.00 H new ATOM 0 HA GLN A 82 6.769 -5.057 -10.092 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.109 -3.233 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.806 -4.809 -11.101 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.788 -3.559 -12.324 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.708 -2.113 -11.956 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.787 -5.211 -13.747 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.150 -4.772 -14.782 1.00 0.00 H new ATOM 609 N MET A 83 7.215 -4.848 -7.558 1.00 0.00 N ATOM 610 CA MET A 83 7.621 -4.766 -6.121 1.00 0.00 C ATOM 611 C MET A 83 8.298 -6.070 -5.702 1.00 0.00 C ATOM 612 O MET A 83 7.655 -7.070 -5.497 1.00 0.00 O ATOM 613 CB MET A 83 6.373 -4.507 -5.244 1.00 0.00 C ATOM 614 CG MET A 83 5.089 -4.703 -6.056 1.00 0.00 C ATOM 615 SD MET A 83 3.737 -5.175 -4.950 1.00 0.00 S ATOM 616 CE MET A 83 2.451 -4.210 -5.773 1.00 0.00 C ATOM 0 H MET A 83 6.552 -5.590 -7.783 1.00 0.00 H new ATOM 0 HA MET A 83 8.325 -3.945 -5.988 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.376 -5.184 -4.390 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.406 -3.493 -4.846 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.836 -3.783 -6.583 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.239 -5.473 -6.812 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.209 -3.336 -5.168 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.808 -3.887 -6.751 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.559 -4.824 -5.897 1.00 0.00 H new ATOM 617 N ASN A 84 9.599 -6.070 -5.586 1.00 0.00 N ATOM 618 CA ASN A 84 10.316 -7.325 -5.205 1.00 0.00 C ATOM 619 C ASN A 84 10.653 -7.319 -3.711 1.00 0.00 C ATOM 620 O ASN A 84 10.027 -6.647 -2.919 1.00 0.00 O ATOM 621 CB ASN A 84 11.622 -7.430 -6.004 1.00 0.00 C ATOM 622 CG ASN A 84 11.400 -6.993 -7.457 1.00 0.00 C ATOM 623 OD1 ASN A 84 10.375 -6.440 -7.796 1.00 0.00 O ATOM 624 ND2 ASN A 84 12.335 -7.220 -8.339 1.00 0.00 N ATOM 0 H ASN A 84 10.197 -5.258 -5.738 1.00 0.00 H new ATOM 0 HA ASN A 84 9.668 -8.174 -5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.388 -6.806 -5.544 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.989 -8.456 -5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.202 -6.933 -9.309 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.199 -7.685 -8.059 1.00 0.00 H new ATOM 625 N SER A 85 11.651 -8.076 -3.332 1.00 0.00 N ATOM 626 CA SER A 85 12.073 -8.140 -1.901 1.00 0.00 C ATOM 627 C SER A 85 11.225 -9.164 -1.144 1.00 0.00 C ATOM 628 O SER A 85 11.702 -9.827 -0.244 1.00 0.00 O ATOM 629 CB SER A 85 11.923 -6.763 -1.251 1.00 0.00 C ATOM 630 OG SER A 85 10.658 -6.682 -0.609 1.00 0.00 O ATOM 0 H SER A 85 12.199 -8.661 -3.963 1.00 0.00 H new ATOM 0 HA SER A 85 13.118 -8.446 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.722 -6.601 -0.527 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.012 -5.981 -2.005 1.00 0.00 H new ATOM 0 HG SER A 85 9.985 -6.369 -1.250 1.00 0.00 H new ATOM 631 N LEU A 86 9.978 -9.302 -1.491 1.00 0.00 N ATOM 632 CA LEU A 86 9.124 -10.281 -0.781 1.00 0.00 C ATOM 633 C LEU A 86 9.877 -11.609 -0.653 1.00 0.00 C ATOM 634 O LEU A 86 10.888 -11.812 -1.295 1.00 0.00 O ATOM 635 CB LEU A 86 7.786 -10.458 -1.519 1.00 0.00 C ATOM 636 CG LEU A 86 7.897 -10.260 -3.041 1.00 0.00 C ATOM 637 CD1 LEU A 86 7.700 -8.775 -3.377 1.00 0.00 C ATOM 638 CD2 LEU A 86 9.249 -10.749 -3.572 1.00 0.00 C ATOM 0 H LEU A 86 9.517 -8.778 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 86 8.897 -9.914 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.398 -11.456 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.062 -9.748 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 86 7.120 -10.852 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.778 -8.632 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.715 -8.453 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.467 -8.184 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.294 -10.594 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.052 -10.190 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.364 -11.811 -3.353 1.00 0.00 H new ATOM 639 N ARG A 87 9.429 -12.507 0.188 1.00 0.00 N ATOM 640 CA ARG A 87 10.177 -13.785 0.343 1.00 0.00 C ATOM 641 C ARG A 87 9.225 -14.966 0.516 1.00 0.00 C ATOM 642 O ARG A 87 9.275 -15.662 1.512 1.00 0.00 O ATOM 643 CB ARG A 87 11.079 -13.688 1.570 1.00 0.00 C ATOM 644 CG ARG A 87 11.808 -15.016 1.762 1.00 0.00 C ATOM 645 CD ARG A 87 13.269 -14.862 1.339 1.00 0.00 C ATOM 646 NE ARG A 87 14.090 -15.930 1.973 1.00 0.00 N ATOM 647 CZ ARG A 87 15.089 -16.455 1.320 1.00 0.00 C ATOM 648 NH1 ARG A 87 14.967 -16.722 0.049 1.00 0.00 N ATOM 649 NH2 ARG A 87 16.210 -16.711 1.939 1.00 0.00 N ATOM 0 H ARG A 87 8.592 -12.411 0.763 1.00 0.00 H new ATOM 0 HA ARG A 87 10.769 -13.949 -0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.799 -12.879 1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.487 -13.453 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.751 -15.327 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.327 -15.796 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.352 -14.922 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.641 -13.881 1.633 1.00 0.00 H new ATOM 0 HE ARG A 87 13.871 -16.250 2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.091 -16.520 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.748 -17.133 -0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 87 16.304 -16.500 2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.992 -17.122 1.429 1.00 0.00 H new ATOM 650 N ALA A 88 8.375 -15.203 -0.446 1.00 0.00 N ATOM 651 CA ALA A 88 7.419 -16.349 -0.355 1.00 0.00 C ATOM 652 C ALA A 88 6.980 -16.541 1.085 1.00 0.00 C ATOM 653 O ALA A 88 6.975 -17.640 1.605 1.00 0.00 O ATOM 654 CB ALA A 88 8.086 -17.630 -0.850 1.00 0.00 C ATOM 0 H ALA A 88 8.300 -14.648 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 88 6.551 -16.129 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.381 -18.458 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.393 -17.503 -1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.961 -17.845 -0.237 1.00 0.00 H new ATOM 655 N GLU A 89 6.632 -15.481 1.743 1.00 0.00 N ATOM 656 CA GLU A 89 6.224 -15.611 3.154 1.00 0.00 C ATOM 657 C GLU A 89 5.442 -14.362 3.579 1.00 0.00 C ATOM 658 O GLU A 89 5.337 -14.055 4.751 1.00 0.00 O ATOM 659 CB GLU A 89 7.501 -15.797 3.993 1.00 0.00 C ATOM 660 CG GLU A 89 7.980 -14.456 4.566 1.00 0.00 C ATOM 661 CD GLU A 89 9.432 -14.587 5.030 1.00 0.00 C ATOM 662 OE1 GLU A 89 10.023 -15.623 4.777 1.00 0.00 O ATOM 663 OE2 GLU A 89 9.927 -13.648 5.632 1.00 0.00 O ATOM 0 H GLU A 89 6.613 -14.534 1.365 1.00 0.00 H new ATOM 0 HA GLU A 89 5.569 -16.470 3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.308 -16.496 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.286 -16.235 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.898 -13.675 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.346 -14.158 5.401 1.00 0.00 H new ATOM 664 N ASP A 90 4.892 -13.639 2.638 1.00 0.00 N ATOM 665 CA ASP A 90 4.124 -12.419 3.008 1.00 0.00 C ATOM 666 C ASP A 90 3.144 -12.045 1.893 1.00 0.00 C ATOM 667 O ASP A 90 3.088 -10.905 1.473 1.00 0.00 O ATOM 668 CB ASP A 90 5.095 -11.259 3.242 1.00 0.00 C ATOM 669 CG ASP A 90 5.893 -10.994 1.964 1.00 0.00 C ATOM 670 OD1 ASP A 90 6.306 -11.955 1.336 1.00 0.00 O ATOM 671 OD2 ASP A 90 6.079 -9.833 1.636 1.00 0.00 O ATOM 0 H ASP A 90 4.942 -13.840 1.639 1.00 0.00 H new ATOM 0 HA ASP A 90 3.560 -12.621 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.545 -10.364 3.532 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.772 -11.497 4.063 1.00 0.00 H new ATOM 672 N THR A 91 2.353 -12.979 1.423 1.00 0.00 N ATOM 673 CA THR A 91 1.359 -12.642 0.356 1.00 0.00 C ATOM 674 C THR A 91 0.678 -11.337 0.774 1.00 0.00 C ATOM 675 O THR A 91 0.629 -11.022 1.946 1.00 0.00 O ATOM 676 CB THR A 91 0.336 -13.780 0.239 1.00 0.00 C ATOM 677 OG1 THR A 91 0.965 -14.913 -0.345 1.00 0.00 O ATOM 678 CG2 THR A 91 -0.844 -13.350 -0.636 1.00 0.00 C ATOM 0 H THR A 91 2.352 -13.952 1.729 1.00 0.00 H new ATOM 0 HA THR A 91 1.837 -12.520 -0.616 1.00 0.00 H new ATOM 0 HB THR A 91 -0.035 -14.027 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.317 -15.644 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.560 -14.168 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.329 -12.481 -0.191 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.484 -13.094 -1.632 1.00 0.00 H new ATOM 679 N ALA A 92 0.190 -10.541 -0.140 1.00 0.00 N ATOM 680 CA ALA A 92 -0.416 -9.256 0.319 1.00 0.00 C ATOM 681 C ALA A 92 -1.693 -8.907 -0.440 1.00 0.00 C ATOM 682 O ALA A 92 -2.060 -9.531 -1.416 1.00 0.00 O ATOM 683 CB ALA A 92 0.602 -8.132 0.119 1.00 0.00 C ATOM 0 H ALA A 92 0.182 -10.713 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.680 -9.372 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.171 -7.187 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.499 -8.346 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.863 -8.061 -0.937 1.00 0.00 H new ATOM 684 N VAL A 93 -2.350 -7.870 0.010 1.00 0.00 N ATOM 685 CA VAL A 93 -3.589 -7.391 -0.646 1.00 0.00 C ATOM 686 C VAL A 93 -3.413 -5.878 -0.804 1.00 0.00 C ATOM 687 O VAL A 93 -2.932 -5.219 0.091 1.00 0.00 O ATOM 688 CB VAL A 93 -4.802 -7.726 0.224 1.00 0.00 C ATOM 689 CG1 VAL A 93 -6.026 -6.973 -0.292 1.00 0.00 C ATOM 690 CG2 VAL A 93 -5.077 -9.231 0.152 1.00 0.00 C ATOM 0 H VAL A 93 -2.067 -7.326 0.825 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.758 -7.865 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.599 -7.434 1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.889 -7.213 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.837 -5.900 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.227 -7.268 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.941 -9.473 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.280 -9.515 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.206 -9.778 0.514 1.00 0.00 H new ATOM 691 N TYR A 94 -3.730 -5.321 -1.938 1.00 0.00 N ATOM 692 CA TYR A 94 -3.482 -3.855 -2.120 1.00 0.00 C ATOM 693 C TYR A 94 -4.762 -3.115 -2.538 1.00 0.00 C ATOM 694 O TYR A 94 -5.625 -3.672 -3.180 1.00 0.00 O ATOM 695 CB TYR A 94 -2.424 -3.690 -3.222 1.00 0.00 C ATOM 696 CG TYR A 94 -1.188 -4.500 -2.917 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.777 -4.711 -1.597 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.443 -5.025 -3.973 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.379 -5.448 -1.334 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.716 -5.764 -3.714 1.00 0.00 C ATOM 701 CZ TYR A 94 1.128 -5.976 -2.393 1.00 0.00 C ATOM 702 OH TYR A 94 2.271 -6.705 -2.135 1.00 0.00 O ATOM 0 H TYR A 94 -4.143 -5.802 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.144 -3.430 -1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.840 -4.003 -4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.158 -2.638 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.354 -4.303 -0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.761 -4.861 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.696 -5.611 -0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.292 -6.170 -4.532 1.00 0.00 H new ATOM 0 HH TYR A 94 2.947 -6.506 -2.816 1.00 0.00 H new ATOM 703 N TYR A 95 -4.887 -1.851 -2.198 1.00 0.00 N ATOM 704 CA TYR A 95 -6.106 -1.096 -2.608 1.00 0.00 C ATOM 705 C TYR A 95 -5.686 0.227 -3.237 1.00 0.00 C ATOM 706 O TYR A 95 -5.075 1.066 -2.605 1.00 0.00 O ATOM 707 CB TYR A 95 -6.988 -0.831 -1.395 1.00 0.00 C ATOM 708 CG TYR A 95 -7.728 -2.092 -1.046 1.00 0.00 C ATOM 709 CD1 TYR A 95 -7.050 -3.130 -0.414 1.00 0.00 C ATOM 710 CD2 TYR A 95 -9.086 -2.225 -1.361 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.724 -4.312 -0.092 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.765 -3.406 -1.037 1.00 0.00 C ATOM 713 CZ TYR A 95 -9.083 -4.452 -0.401 1.00 0.00 C ATOM 714 OH TYR A 95 -9.749 -5.618 -0.080 1.00 0.00 O ATOM 0 H TYR A 95 -4.203 -1.319 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.670 -1.685 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.380 -0.505 -0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.693 -0.028 -1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.003 -3.023 -0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.609 -1.418 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.196 -5.118 0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.813 -3.511 -1.277 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.685 -5.549 -0.363 1.00 0.00 H new ATOM 715 N CYS A 96 -5.994 0.408 -4.488 1.00 0.00 N ATOM 716 CA CYS A 96 -5.597 1.657 -5.186 1.00 0.00 C ATOM 717 C CYS A 96 -6.145 2.891 -4.456 1.00 0.00 C ATOM 718 O CYS A 96 -6.942 2.780 -3.547 1.00 0.00 O ATOM 719 CB CYS A 96 -6.141 1.628 -6.612 1.00 0.00 C ATOM 720 SG CYS A 96 -4.921 0.907 -7.747 1.00 0.00 S ATOM 0 H CYS A 96 -6.508 -0.262 -5.061 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.509 1.719 -5.199 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.063 1.047 -6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.391 2.640 -6.932 1.00 0.00 H new ATOM 721 N ALA A 97 -5.715 4.074 -4.851 1.00 0.00 N ATOM 722 CA ALA A 97 -6.206 5.315 -4.174 1.00 0.00 C ATOM 723 C ALA A 97 -5.412 6.547 -4.647 1.00 0.00 C ATOM 724 O ALA A 97 -4.201 6.561 -4.600 1.00 0.00 O ATOM 725 CB ALA A 97 -5.986 5.172 -2.671 1.00 0.00 C ATOM 0 H ALA A 97 -5.049 4.228 -5.609 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.261 5.446 -4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.340 6.070 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.538 4.307 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.923 5.037 -2.470 1.00 0.00 H new ATOM 726 N ARG A 98 -6.067 7.603 -5.057 1.00 0.00 N ATOM 727 CA ARG A 98 -5.303 8.816 -5.481 1.00 0.00 C ATOM 728 C ARG A 98 -5.010 9.665 -4.245 1.00 0.00 C ATOM 729 O ARG A 98 -5.271 9.256 -3.137 1.00 0.00 O ATOM 730 CB ARG A 98 -6.116 9.655 -6.468 1.00 0.00 C ATOM 731 CG ARG A 98 -5.726 9.290 -7.903 1.00 0.00 C ATOM 732 CD ARG A 98 -6.849 9.708 -8.851 1.00 0.00 C ATOM 733 NE ARG A 98 -6.290 10.533 -9.960 1.00 0.00 N ATOM 734 CZ ARG A 98 -7.031 11.442 -10.534 1.00 0.00 C ATOM 735 NH1 ARG A 98 -8.316 11.480 -10.304 1.00 0.00 N ATOM 736 NH2 ARG A 98 -6.489 12.316 -11.336 1.00 0.00 N ATOM 0 H ARG A 98 -7.082 7.679 -5.116 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.380 8.498 -5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.181 9.482 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.937 10.716 -6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.797 9.789 -8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.547 8.218 -7.982 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.344 8.825 -9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.604 10.276 -8.308 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.329 10.387 -10.270 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.742 10.799 -9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.894 12.191 -10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.485 12.290 -11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.069 13.026 -11.784 1.00 0.00 H new ATOM 737 N LEU A 99 -4.479 10.845 -4.424 1.00 0.00 N ATOM 738 CA LEU A 99 -4.185 11.713 -3.243 1.00 0.00 C ATOM 739 C LEU A 99 -3.481 12.998 -3.689 1.00 0.00 C ATOM 740 O LEU A 99 -2.625 13.514 -2.997 1.00 0.00 O ATOM 741 CB LEU A 99 -3.285 10.963 -2.250 1.00 0.00 C ATOM 742 CG LEU A 99 -1.851 10.911 -2.781 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.058 9.860 -2.003 1.00 0.00 C ATOM 744 CD2 LEU A 99 -1.863 10.542 -4.268 1.00 0.00 C ATOM 0 H LEU A 99 -4.237 11.245 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.128 11.969 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.305 11.461 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.662 9.952 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.385 11.888 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.036 9.822 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.045 10.124 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.527 8.884 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.840 10.506 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.331 9.566 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.427 11.291 -4.824 1.00 0.00 H new ATOM 745 N LYS A 100 -3.833 13.533 -4.825 1.00 0.00 N ATOM 746 CA LYS A 100 -3.173 14.791 -5.275 1.00 0.00 C ATOM 747 C LYS A 100 -4.149 15.952 -5.103 1.00 0.00 C ATOM 748 O LYS A 100 -4.000 16.999 -5.702 1.00 0.00 O ATOM 749 CB LYS A 100 -2.733 14.693 -6.747 1.00 0.00 C ATOM 750 CG LYS A 100 -3.429 13.527 -7.462 1.00 0.00 C ATOM 751 CD LYS A 100 -4.819 13.967 -7.926 1.00 0.00 C ATOM 752 CE LYS A 100 -4.724 14.510 -9.356 1.00 0.00 C ATOM 753 NZ LYS A 100 -5.463 15.800 -9.455 1.00 0.00 N ATOM 0 H LYS A 100 -4.542 13.159 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.282 14.956 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.964 15.627 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.652 14.560 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.834 13.204 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.512 12.673 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.511 13.126 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.213 14.734 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.679 14.657 -9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.140 13.787 -10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.396 16.165 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.462 15.647 -9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.047 16.490 -8.797 1.00 0.00 H new ATOM 754 N LYS A 101 -5.151 15.772 -4.285 1.00 0.00 N ATOM 755 CA LYS A 101 -6.143 16.859 -4.067 1.00 0.00 C ATOM 756 C LYS A 101 -6.938 17.061 -5.348 1.00 0.00 C ATOM 757 O LYS A 101 -6.389 17.066 -6.429 1.00 0.00 O ATOM 758 CB LYS A 101 -5.426 18.156 -3.684 1.00 0.00 C ATOM 759 CG LYS A 101 -6.449 19.180 -3.186 1.00 0.00 C ATOM 760 CD LYS A 101 -5.839 20.582 -3.245 1.00 0.00 C ATOM 761 CE LYS A 101 -6.560 21.410 -4.310 1.00 0.00 C ATOM 762 NZ LYS A 101 -7.587 22.271 -3.658 1.00 0.00 N ATOM 0 H LYS A 101 -5.324 14.916 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.817 16.585 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.686 17.959 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.888 18.554 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.349 19.138 -3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.747 18.944 -2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.924 21.068 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.776 20.518 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.844 22.027 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.032 20.752 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.078 22.834 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.276 21.672 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.125 22.908 -2.978 1.00 0.00 H new ATOM 763 N TYR A 102 -8.233 17.186 -5.225 1.00 0.00 N ATOM 764 CA TYR A 102 -9.104 17.345 -6.424 1.00 0.00 C ATOM 765 C TYR A 102 -9.379 15.960 -7.005 1.00 0.00 C ATOM 766 O TYR A 102 -10.263 15.781 -7.819 1.00 0.00 O ATOM 767 CB TYR A 102 -8.413 18.208 -7.486 1.00 0.00 C ATOM 768 CG TYR A 102 -9.408 18.579 -8.559 1.00 0.00 C ATOM 769 CD1 TYR A 102 -9.783 17.634 -9.528 1.00 0.00 C ATOM 770 CD2 TYR A 102 -9.952 19.868 -8.593 1.00 0.00 C ATOM 771 CE1 TYR A 102 -10.703 17.983 -10.525 1.00 0.00 C ATOM 772 CE2 TYR A 102 -10.870 20.215 -9.590 1.00 0.00 C ATOM 773 CZ TYR A 102 -11.245 19.272 -10.556 1.00 0.00 C ATOM 774 OH TYR A 102 -12.150 19.616 -11.539 1.00 0.00 O ATOM 0 H TYR A 102 -8.729 17.185 -4.334 1.00 0.00 H new ATOM 0 HA TYR A 102 -10.033 17.835 -6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.003 19.108 -7.028 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.576 17.664 -7.924 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.363 16.639 -9.504 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.663 20.595 -7.849 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.994 17.257 -11.270 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -11.290 21.210 -9.615 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.429 20.547 -11.415 1.00 0.00 H new ATOM 775 N ALA A 103 -8.624 14.975 -6.598 1.00 0.00 N ATOM 776 CA ALA A 103 -8.834 13.615 -7.133 1.00 0.00 C ATOM 777 C ALA A 103 -8.496 12.591 -6.056 1.00 0.00 C ATOM 778 O ALA A 103 -7.618 11.776 -6.225 1.00 0.00 O ATOM 779 CB ALA A 103 -7.912 13.417 -8.330 1.00 0.00 C ATOM 0 H ALA A 103 -7.871 15.062 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.873 13.487 -7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.055 12.416 -8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.145 14.157 -9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.875 13.536 -8.014 1.00 0.00 H new ATOM 780 N PHE A 104 -9.182 12.619 -4.950 1.00 0.00 N ATOM 781 CA PHE A 104 -8.877 11.635 -3.879 1.00 0.00 C ATOM 782 C PHE A 104 -10.176 11.064 -3.308 1.00 0.00 C ATOM 783 O PHE A 104 -10.932 11.756 -2.659 1.00 0.00 O ATOM 784 CB PHE A 104 -8.090 12.316 -2.765 1.00 0.00 C ATOM 785 CG PHE A 104 -7.399 11.274 -1.913 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.662 9.909 -2.108 1.00 0.00 C ATOM 787 CD2 PHE A 104 -6.483 11.674 -0.935 1.00 0.00 C ATOM 788 CE1 PHE A 104 -7.008 8.953 -1.329 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.832 10.715 -0.155 1.00 0.00 C ATOM 790 CZ PHE A 104 -6.094 9.355 -0.355 1.00 0.00 C ATOM 0 H PHE A 104 -9.935 13.275 -4.742 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.284 10.824 -4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.353 12.997 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.760 12.916 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.371 9.598 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.279 12.724 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.210 7.903 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.126 11.023 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.587 8.615 0.246 1.00 0.00 H new ATOM 791 N ASP A 105 -10.424 9.800 -3.543 1.00 0.00 N ATOM 792 CA ASP A 105 -11.661 9.140 -3.024 1.00 0.00 C ATOM 793 C ASP A 105 -12.015 7.966 -3.937 1.00 0.00 C ATOM 794 O ASP A 105 -12.759 7.080 -3.565 1.00 0.00 O ATOM 795 CB ASP A 105 -12.832 10.133 -3.001 1.00 0.00 C ATOM 796 CG ASP A 105 -14.154 9.373 -2.843 1.00 0.00 C ATOM 797 OD1 ASP A 105 -14.575 8.750 -3.803 1.00 0.00 O ATOM 798 OD2 ASP A 105 -14.722 9.427 -1.763 1.00 0.00 O ATOM 0 H ASP A 105 -9.811 9.188 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.479 8.790 -2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.707 10.838 -2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.845 10.716 -3.922 1.00 0.00 H new ATOM 799 N TYR A 106 -11.490 7.950 -5.134 1.00 0.00 N ATOM 800 CA TYR A 106 -11.805 6.829 -6.064 1.00 0.00 C ATOM 801 C TYR A 106 -10.993 5.600 -5.673 1.00 0.00 C ATOM 802 O TYR A 106 -10.584 5.447 -4.539 1.00 0.00 O ATOM 803 CB TYR A 106 -11.458 7.211 -7.505 1.00 0.00 C ATOM 804 CG TYR A 106 -11.507 8.705 -7.664 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.734 9.352 -7.831 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.319 9.438 -7.646 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.774 10.740 -7.983 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.353 10.824 -7.799 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.585 11.479 -7.969 1.00 0.00 C ATOM 810 OH TYR A 106 -11.633 12.848 -8.125 1.00 0.00 O ATOM 0 H TYR A 106 -10.860 8.661 -5.505 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.872 6.614 -5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.464 6.842 -7.759 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.159 6.740 -8.194 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.650 8.780 -7.843 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.374 8.932 -7.514 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.721 11.243 -8.111 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.435 11.393 -7.787 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.479 13.189 -7.766 1.00 0.00 H new ATOM 811 N TRP A 107 -10.754 4.730 -6.613 1.00 0.00 N ATOM 812 CA TRP A 107 -9.971 3.495 -6.327 1.00 0.00 C ATOM 813 C TRP A 107 -10.643 2.704 -5.199 1.00 0.00 C ATOM 814 O TRP A 107 -11.021 3.248 -4.183 1.00 0.00 O ATOM 815 CB TRP A 107 -8.555 3.863 -5.910 1.00 0.00 C ATOM 816 CG TRP A 107 -8.047 4.992 -6.751 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.267 6.290 -6.482 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.255 4.960 -7.980 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.624 7.068 -7.418 1.00 0.00 N ATOM 820 CE2 TRP A 107 -6.988 6.296 -8.372 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.731 3.922 -8.782 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.228 6.582 -9.514 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -5.975 4.216 -9.928 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.721 5.541 -10.289 1.00 0.00 C ATOM 0 H TRP A 107 -11.071 4.822 -7.578 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.934 2.884 -7.229 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.540 4.148 -4.858 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.900 2.998 -6.015 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.857 6.665 -5.659 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.618 8.088 -7.409 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -6.914 2.893 -8.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.036 7.607 -9.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.587 3.411 -10.535 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.132 5.758 -11.168 1.00 0.00 H new ATOM 825 N GLY A 108 -10.797 1.422 -5.364 1.00 0.00 N ATOM 826 CA GLY A 108 -11.444 0.619 -4.289 1.00 0.00 C ATOM 827 C GLY A 108 -11.959 -0.698 -4.870 1.00 0.00 C ATOM 828 O GLY A 108 -12.697 -0.717 -5.834 1.00 0.00 O ATOM 0 H GLY A 108 -10.506 0.897 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.730 0.421 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.268 1.180 -3.848 1.00 0.00 H new ATOM 829 N GLN A 109 -11.572 -1.796 -4.286 1.00 0.00 N ATOM 830 CA GLN A 109 -12.028 -3.122 -4.789 1.00 0.00 C ATOM 831 C GLN A 109 -11.195 -4.208 -4.114 1.00 0.00 C ATOM 832 O GLN A 109 -11.691 -5.261 -3.762 1.00 0.00 O ATOM 833 CB GLN A 109 -11.840 -3.195 -6.306 1.00 0.00 C ATOM 834 CG GLN A 109 -12.023 -4.639 -6.773 1.00 0.00 C ATOM 835 CD GLN A 109 -12.933 -4.667 -8.002 1.00 0.00 C ATOM 836 OE1 GLN A 109 -14.140 -4.722 -7.878 1.00 0.00 O ATOM 837 NE2 GLN A 109 -12.401 -4.633 -9.194 1.00 0.00 N ATOM 0 H GLN A 109 -10.954 -1.833 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 109 -13.084 -3.264 -4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -12.561 -2.546 -6.804 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.847 -2.837 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.056 -5.080 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.456 -5.239 -5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.387 -4.587 -9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.999 -4.653 -10.020 1.00 0.00 H new ATOM 838 N GLY A 110 -9.931 -3.952 -3.919 1.00 0.00 N ATOM 839 CA GLY A 110 -9.061 -4.957 -3.253 1.00 0.00 C ATOM 840 C GLY A 110 -8.325 -5.790 -4.300 1.00 0.00 C ATOM 841 O GLY A 110 -8.921 -6.339 -5.205 1.00 0.00 O ATOM 0 H GLY A 110 -9.464 -3.088 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.342 -4.455 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.663 -5.607 -2.618 1.00 0.00 H new ATOM 842 N THR A 111 -7.033 -5.909 -4.165 1.00 0.00 N ATOM 843 CA THR A 111 -6.252 -6.724 -5.122 1.00 0.00 C ATOM 844 C THR A 111 -5.271 -7.547 -4.301 1.00 0.00 C ATOM 845 O THR A 111 -5.495 -7.776 -3.130 1.00 0.00 O ATOM 846 CB THR A 111 -5.502 -5.818 -6.097 1.00 0.00 C ATOM 847 OG1 THR A 111 -5.065 -6.584 -7.212 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.298 -5.209 -5.390 1.00 0.00 C ATOM 0 H THR A 111 -6.485 -5.471 -3.425 1.00 0.00 H new ATOM 0 HA THR A 111 -6.904 -7.370 -5.710 1.00 0.00 H new ATOM 0 HB THR A 111 -6.162 -5.022 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.585 -6.004 -7.839 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.759 -4.561 -6.082 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.636 -4.625 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.636 -6.005 -5.048 1.00 0.00 H new ATOM 849 N LEU A 112 -4.192 -8.000 -4.867 1.00 0.00 N ATOM 850 CA LEU A 112 -3.273 -8.816 -4.037 1.00 0.00 C ATOM 851 C LEU A 112 -2.066 -9.294 -4.831 1.00 0.00 C ATOM 852 O LEU A 112 -1.772 -8.831 -5.914 1.00 0.00 O ATOM 853 CB LEU A 112 -4.042 -10.052 -3.616 1.00 0.00 C ATOM 854 CG LEU A 112 -4.365 -10.816 -4.896 1.00 0.00 C ATOM 855 CD1 LEU A 112 -3.312 -11.903 -5.115 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.753 -11.444 -4.780 1.00 0.00 C ATOM 0 H LEU A 112 -3.913 -7.848 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.925 -8.212 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.450 -10.665 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.955 -9.780 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.356 -10.133 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.540 -12.451 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.328 -11.443 -5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.317 -12.590 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.983 -11.990 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.772 -12.130 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.495 -10.660 -4.629 1.00 0.00 H new ATOM 857 N VAL A 113 -1.395 -10.260 -4.273 1.00 0.00 N ATOM 858 CA VAL A 113 -0.214 -10.865 -4.929 1.00 0.00 C ATOM 859 C VAL A 113 0.111 -12.155 -4.193 1.00 0.00 C ATOM 860 O VAL A 113 -0.079 -12.254 -2.993 1.00 0.00 O ATOM 861 CB VAL A 113 0.986 -9.934 -4.860 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.498 -9.720 -6.277 1.00 0.00 C ATOM 863 CG2 VAL A 113 0.581 -8.594 -4.237 1.00 0.00 C ATOM 0 H VAL A 113 -1.626 -10.663 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.436 -11.051 -5.980 1.00 0.00 H new ATOM 0 HB VAL A 113 1.767 -10.373 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.361 -9.054 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.790 -10.678 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.711 -9.274 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.449 -7.936 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.196 -8.130 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.201 -8.761 -3.229 1.00 0.00 H new ATOM 864 N THR A 114 0.593 -13.146 -4.888 1.00 0.00 N ATOM 865 CA THR A 114 0.904 -14.421 -4.203 1.00 0.00 C ATOM 866 C THR A 114 2.321 -14.854 -4.546 1.00 0.00 C ATOM 867 O THR A 114 2.816 -14.592 -5.617 1.00 0.00 O ATOM 868 CB THR A 114 -0.079 -15.492 -4.662 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.402 -15.103 -4.315 1.00 0.00 O ATOM 870 CG2 THR A 114 0.269 -16.804 -3.977 1.00 0.00 C ATOM 0 H THR A 114 0.782 -13.126 -5.890 1.00 0.00 H new ATOM 0 HA THR A 114 0.820 -14.284 -3.125 1.00 0.00 H new ATOM 0 HB THR A 114 -0.017 -15.615 -5.743 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.034 -15.791 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.428 -17.578 -4.298 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.284 -17.096 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 114 0.201 -16.680 -2.896 1.00 0.00 H new ATOM 871 N VAL A 115 2.981 -15.512 -3.642 1.00 0.00 N ATOM 872 CA VAL A 115 4.372 -15.951 -3.923 1.00 0.00 C ATOM 873 C VAL A 115 4.372 -17.374 -4.480 1.00 0.00 C ATOM 874 O VAL A 115 4.909 -18.285 -3.884 1.00 0.00 O ATOM 875 CB VAL A 115 5.174 -15.922 -2.634 1.00 0.00 C ATOM 876 CG1 VAL A 115 5.548 -14.480 -2.287 1.00 0.00 C ATOM 877 CG2 VAL A 115 4.337 -16.519 -1.500 1.00 0.00 C ATOM 0 H VAL A 115 2.620 -15.765 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 115 4.817 -15.279 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 115 6.084 -16.507 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.123 -14.466 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.147 -14.055 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.641 -13.889 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.912 -16.499 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.425 -15.935 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.077 -17.549 -1.743 1.00 0.00 H new