USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 960 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 20 TYR OH : rot 0:sc= -0.924 USER MOD Set 1.2: A 96 LYS NZ :NH3+ -150:sc= 0.0545 (180deg=0) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -1.21 X(o=-0.037,f=-0.27) USER MOD Set 2.2: A 89 THR OG1 : rot 67:sc= 1.17 USER MOD Set 3.1: A 51 THR OG1 : rot 171:sc=-0.00236 USER MOD Set 3.2: A 53 TYR OH : rot 30:sc= 0.00427 USER MOD Set 4.1: A 24 SER OG : rot -25:sc= 0.338 USER MOD Set 4.2: A 27 ASN :FLIP amide:sc= -0.923 F(o=-2.7,f=-0.58) USER MOD Set 5.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 106 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.8!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -159:sc= -0.0316 (180deg=-0.282) USER MOD Single : A 12 MET CE :methyl -179:sc= -12.3! (180deg=-12.7!) USER MOD Single : A 13 LYS NZ :NH3+ -134:sc= 0.354 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -96:sc= -1.29! USER MOD Single : A 37 ASN : amide:sc= -0.0093 X(o=-0.0093,f=-0.09) USER MOD Single : A 39 ASN : amide:sc= -1.9! K(o=-1.9!,f=-2.5) USER MOD Single : A 40 THR OG1 : rot 109:sc= 1.22 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -17:sc= 0.384! USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.0082) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 41:sc= 0.503 USER MOD Single : A 57 GLN :FLIP amide:sc= -2.85! C(o=-4.4!,f=-2.8!) USER MOD Single : A 59 ASN : amide:sc= -2.88! C(o=-2.9!,f=-6.8!) USER MOD Single : A 60 SER OG : rot -170:sc= 0.00139 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 72 SER OG : rot -113:sc= -0.873 USER MOD Single : A 74 ASN : amide:sc= -3.48! C(o=-3.5!,f=-5.7!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0671 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 92:sc= -0.635 USER MOD Single : A 93 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.15) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -33:sc= -0.127 USER MOD Single : A 103 ASN : amide:sc=-0.00142 X(o=-0.0014,f=0) USER MOD Single : A 105 MET CE :methyl -154:sc= -3.9 (180deg=-5.46!) USER MOD Single : A 113 ASN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -61:sc= 1.04 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.816 -10.803 2.241 1.00 0.00 N ATOM 2 CA LYS A 1 -5.916 -11.332 1.184 1.00 0.00 C ATOM 3 C LYS A 1 -4.890 -10.287 0.759 1.00 0.00 C ATOM 4 O LYS A 1 -5.051 -9.627 -0.267 1.00 0.00 O ATOM 5 CB LYS A 1 -6.767 -11.756 -0.014 1.00 0.00 C ATOM 6 CG LYS A 1 -6.909 -13.262 -0.160 1.00 0.00 C ATOM 7 CD LYS A 1 -7.435 -13.641 -1.534 1.00 0.00 C ATOM 8 CE LYS A 1 -6.346 -14.263 -2.395 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.137 -13.398 -2.472 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.503 -11.536 2.510 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.253 -10.533 3.073 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.322 -9.969 1.881 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.368 -12.188 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.759 -11.314 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.324 -11.352 -0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.942 -13.737 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.585 -13.641 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.262 -14.343 -1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.831 -12.755 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.071 -15.235 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.732 -14.437 -3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.580 -13.653 -3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.427 -12.401 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.558 -13.534 -1.619 1.00 0.00 H new ATOM 25 N VAL A 2 -3.837 -10.139 1.556 1.00 0.00 N ATOM 26 CA VAL A 2 -2.783 -9.173 1.265 1.00 0.00 C ATOM 27 C VAL A 2 -1.630 -9.827 0.509 1.00 0.00 C ATOM 28 O VAL A 2 -1.303 -10.990 0.745 1.00 0.00 O ATOM 29 CB VAL A 2 -2.235 -8.534 2.560 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.986 -7.713 2.280 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.291 -7.666 3.223 1.00 0.00 C ATOM 0 H VAL A 2 -3.690 -10.677 2.410 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.228 -8.397 0.643 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.970 -9.343 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.622 -7.275 3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.215 -8.356 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.224 -6.918 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.882 -7.227 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.591 -6.872 2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.159 -8.276 3.473 1.00 0.00 H new ATOM 41 N PHE A 3 -0.997 -9.061 -0.376 1.00 0.00 N ATOM 42 CA PHE A 3 0.141 -9.546 -1.138 1.00 0.00 C ATOM 43 C PHE A 3 1.300 -9.876 -0.206 1.00 0.00 C ATOM 44 O PHE A 3 1.334 -9.440 0.944 1.00 0.00 O ATOM 45 CB PHE A 3 0.614 -8.480 -2.125 1.00 0.00 C ATOM 46 CG PHE A 3 -0.087 -8.491 -3.448 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.392 -9.260 -4.493 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.215 -7.716 -3.650 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.243 -9.259 -5.718 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.855 -7.708 -4.872 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.369 -8.481 -5.909 1.00 0.00 C ATOM 0 H PHE A 3 -1.258 -8.097 -0.581 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.174 -10.440 -1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.482 -7.499 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.683 -8.612 -2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.273 -9.868 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.599 -7.111 -2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 3 0.139 -9.865 -6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.735 -7.098 -5.018 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.868 -8.477 -6.867 1.00 0.00 H new ATOM 61 N GLY A 4 2.256 -10.625 -0.726 1.00 0.00 N ATOM 62 CA GLY A 4 3.426 -10.984 0.049 1.00 0.00 C ATOM 63 C GLY A 4 4.510 -9.936 -0.084 1.00 0.00 C ATOM 64 O GLY A 4 4.486 -9.138 -1.018 1.00 0.00 O ATOM 0 H GLY A 4 2.244 -10.994 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.151 -11.096 1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.806 -11.949 -0.286 1.00 0.00 H new ATOM 68 N ARG A 5 5.455 -9.923 0.846 1.00 0.00 N ATOM 69 CA ARG A 5 6.535 -8.945 0.804 1.00 0.00 C ATOM 70 C ARG A 5 7.271 -9.009 -0.523 1.00 0.00 C ATOM 71 O ARG A 5 7.232 -8.060 -1.306 1.00 0.00 O ATOM 72 CB ARG A 5 7.508 -9.163 1.963 1.00 0.00 C ATOM 73 CG ARG A 5 7.661 -7.949 2.866 1.00 0.00 C ATOM 74 CD ARG A 5 8.561 -8.248 4.054 1.00 0.00 C ATOM 75 NE ARG A 5 7.795 -8.606 5.245 1.00 0.00 N ATOM 76 CZ ARG A 5 7.677 -9.849 5.701 1.00 0.00 C ATOM 77 NH1 ARG A 5 8.271 -10.851 5.068 1.00 0.00 N ATOM 78 NH2 ARG A 5 6.962 -10.091 6.792 1.00 0.00 N ATOM 0 H ARG A 5 5.497 -10.572 1.632 1.00 0.00 H new ATOM 0 HA ARG A 5 6.094 -7.953 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.166 -10.008 2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.485 -9.432 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.076 -7.119 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.680 -7.633 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.238 -9.064 3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.179 -7.376 4.269 1.00 0.00 H new ATOM 0 HE ARG A 5 7.324 -7.860 5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.821 -10.669 4.228 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.178 -11.804 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.502 -9.323 7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.872 -11.045 7.141 1.00 0.00 H new ATOM 92 N CYS A 6 7.935 -10.126 -0.781 1.00 0.00 N ATOM 93 CA CYS A 6 8.660 -10.282 -2.029 1.00 0.00 C ATOM 94 C CYS A 6 7.713 -10.642 -3.158 1.00 0.00 C ATOM 95 O CYS A 6 7.887 -10.185 -4.280 1.00 0.00 O ATOM 96 CB CYS A 6 9.751 -11.332 -1.906 1.00 0.00 C ATOM 97 SG CYS A 6 10.601 -11.342 -0.296 1.00 0.00 S ATOM 0 H CYS A 6 7.986 -10.927 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 6 9.132 -9.326 -2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.314 -12.315 -2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.488 -11.168 -2.692 1.00 0.00 H new ATOM 102 N GLU A 7 6.700 -11.450 -2.856 1.00 0.00 N ATOM 103 CA GLU A 7 5.725 -11.832 -3.869 1.00 0.00 C ATOM 104 C GLU A 7 5.299 -10.585 -4.628 1.00 0.00 C ATOM 105 O GLU A 7 5.339 -10.536 -5.860 1.00 0.00 O ATOM 106 CB GLU A 7 4.509 -12.505 -3.225 1.00 0.00 C ATOM 107 CG GLU A 7 4.805 -13.889 -2.668 1.00 0.00 C ATOM 108 CD GLU A 7 3.586 -14.535 -2.039 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.566 -14.689 -2.742 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.652 -14.885 -0.841 1.00 0.00 O ATOM 0 H GLU A 7 6.535 -11.847 -1.931 1.00 0.00 H new ATOM 0 HA GLU A 7 6.176 -12.548 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.136 -11.871 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.712 -12.583 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.178 -14.527 -3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.598 -13.816 -1.924 1.00 0.00 H new ATOM 117 N LEU A 8 4.926 -9.566 -3.865 1.00 0.00 N ATOM 118 CA LEU A 8 4.524 -8.293 -4.426 1.00 0.00 C ATOM 119 C LEU A 8 5.694 -7.636 -5.152 1.00 0.00 C ATOM 120 O LEU A 8 5.516 -7.090 -6.237 1.00 0.00 O ATOM 121 CB LEU A 8 4.008 -7.369 -3.312 1.00 0.00 C ATOM 122 CG LEU A 8 3.555 -5.966 -3.744 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.720 -4.990 -3.703 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.926 -5.991 -5.130 1.00 0.00 C ATOM 0 H LEU A 8 4.895 -9.603 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 8 3.723 -8.466 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.170 -7.862 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.796 -7.259 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 8 2.796 -5.629 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.378 -4.002 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.114 -4.936 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.504 -5.331 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.616 -4.983 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.654 -6.358 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.057 -6.649 -5.123 1.00 0.00 H new ATOM 136 N ALA A 9 6.892 -7.693 -4.554 1.00 0.00 N ATOM 137 CA ALA A 9 8.074 -7.088 -5.168 1.00 0.00 C ATOM 138 C ALA A 9 8.378 -7.701 -6.527 1.00 0.00 C ATOM 139 O ALA A 9 8.493 -6.987 -7.522 1.00 0.00 O ATOM 140 CB ALA A 9 9.278 -7.199 -4.254 1.00 0.00 C ATOM 0 H ALA A 9 7.064 -8.147 -3.657 1.00 0.00 H new ATOM 0 HA ALA A 9 7.853 -6.032 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.143 -6.742 -4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.071 -6.686 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.487 -8.250 -4.054 1.00 0.00 H new ATOM 146 N ALA A 10 8.502 -9.025 -6.572 1.00 0.00 N ATOM 147 CA ALA A 10 8.778 -9.714 -7.822 1.00 0.00 C ATOM 148 C ALA A 10 7.798 -9.253 -8.887 1.00 0.00 C ATOM 149 O ALA A 10 8.158 -9.085 -10.053 1.00 0.00 O ATOM 150 CB ALA A 10 8.692 -11.221 -7.630 1.00 0.00 C ATOM 0 H ALA A 10 8.416 -9.636 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 10 9.790 -9.472 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.901 -11.721 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.422 -11.535 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.691 -11.488 -7.292 1.00 0.00 H new ATOM 156 N ALA A 11 6.555 -9.030 -8.467 1.00 0.00 N ATOM 157 CA ALA A 11 5.525 -8.565 -9.379 1.00 0.00 C ATOM 158 C ALA A 11 5.841 -7.166 -9.859 1.00 0.00 C ATOM 159 O ALA A 11 5.625 -6.824 -11.020 1.00 0.00 O ATOM 160 CB ALA A 11 4.156 -8.622 -8.720 1.00 0.00 C ATOM 0 H ALA A 11 6.242 -9.164 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 11 5.504 -9.226 -10.246 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.400 -8.269 -9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.933 -9.649 -8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.152 -7.988 -7.833 1.00 0.00 H new ATOM 166 N MET A 12 6.364 -6.377 -8.950 1.00 0.00 N ATOM 167 CA MET A 12 6.742 -4.997 -9.251 1.00 0.00 C ATOM 168 C MET A 12 7.731 -4.961 -10.405 1.00 0.00 C ATOM 169 O MET A 12 7.527 -4.255 -11.393 1.00 0.00 O ATOM 170 CB MET A 12 7.378 -4.322 -8.037 1.00 0.00 C ATOM 171 CG MET A 12 6.641 -4.567 -6.738 1.00 0.00 C ATOM 172 SD MET A 12 5.178 -3.530 -6.571 1.00 0.00 S ATOM 173 CE MET A 12 5.885 -1.921 -6.894 1.00 0.00 C ATOM 0 H MET A 12 6.542 -6.661 -7.987 1.00 0.00 H new ATOM 0 HA MET A 12 5.833 -4.459 -9.522 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.403 -4.677 -7.933 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.429 -3.248 -8.217 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.348 -5.615 -6.682 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.314 -4.379 -5.901 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.109 -1.160 -6.811 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.672 -1.717 -6.168 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.305 -1.903 -7.900 1.00 0.00 H new ATOM 183 N LYS A 13 8.805 -5.733 -10.268 1.00 0.00 N ATOM 184 CA LYS A 13 9.834 -5.801 -11.296 1.00 0.00 C ATOM 185 C LYS A 13 9.204 -6.125 -12.640 1.00 0.00 C ATOM 186 O LYS A 13 9.534 -5.517 -13.658 1.00 0.00 O ATOM 187 CB LYS A 13 10.880 -6.858 -10.937 1.00 0.00 C ATOM 188 CG LYS A 13 12.192 -6.693 -11.686 1.00 0.00 C ATOM 189 CD LYS A 13 13.283 -7.576 -11.100 1.00 0.00 C ATOM 190 CE LYS A 13 14.220 -8.094 -12.180 1.00 0.00 C ATOM 191 NZ LYS A 13 14.278 -9.581 -12.198 1.00 0.00 N ATOM 0 H LYS A 13 8.984 -6.320 -9.453 1.00 0.00 H new ATOM 0 HA LYS A 13 10.329 -4.832 -11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.075 -6.815 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.473 -7.847 -11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.046 -6.942 -12.737 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.506 -5.650 -11.646 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.853 -7.011 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.829 -8.417 -10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.888 -7.732 -13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.220 -7.694 -12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.269 -9.889 -12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.855 -9.956 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.750 -9.939 -13.020 1.00 0.00 H new ATOM 205 N ARG A 14 8.289 -7.087 -12.632 1.00 0.00 N ATOM 206 CA ARG A 14 7.604 -7.491 -13.847 1.00 0.00 C ATOM 207 C ARG A 14 6.775 -6.336 -14.382 1.00 0.00 C ATOM 208 O ARG A 14 6.713 -6.107 -15.590 1.00 0.00 O ATOM 209 CB ARG A 14 6.709 -8.703 -13.581 1.00 0.00 C ATOM 210 CG ARG A 14 6.204 -9.376 -14.846 1.00 0.00 C ATOM 211 CD ARG A 14 7.260 -10.287 -15.452 1.00 0.00 C ATOM 212 NE ARG A 14 7.005 -11.694 -15.153 1.00 0.00 N ATOM 213 CZ ARG A 14 7.717 -12.696 -15.659 1.00 0.00 C ATOM 214 NH1 ARG A 14 8.725 -12.448 -16.485 1.00 0.00 N ATOM 215 NH2 ARG A 14 7.423 -13.948 -15.338 1.00 0.00 N ATOM 0 H ARG A 14 8.007 -7.600 -11.797 1.00 0.00 H new ATOM 0 HA ARG A 14 8.349 -7.770 -14.592 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.264 -9.431 -12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.855 -8.389 -12.981 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.309 -9.955 -14.619 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.916 -8.617 -15.573 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.285 -10.145 -16.532 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.242 -10.007 -15.071 1.00 0.00 H new ATOM 0 HE ARG A 14 6.237 -11.920 -14.520 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.956 -11.486 -16.734 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.269 -13.219 -16.871 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.650 -14.143 -14.702 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.970 -14.716 -15.727 1.00 0.00 H new ATOM 229 N HIS A 15 6.109 -5.627 -13.474 1.00 0.00 N ATOM 230 CA HIS A 15 5.250 -4.518 -13.848 1.00 0.00 C ATOM 231 C HIS A 15 6.050 -3.271 -14.204 1.00 0.00 C ATOM 232 O HIS A 15 5.477 -2.279 -14.654 1.00 0.00 O ATOM 233 CB HIS A 15 4.294 -4.199 -12.700 1.00 0.00 C ATOM 234 CG HIS A 15 3.158 -5.167 -12.574 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.197 -5.071 -11.589 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.830 -6.256 -13.312 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.329 -6.058 -11.726 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.689 -6.789 -12.764 1.00 0.00 N ATOM 0 H HIS A 15 6.151 -5.806 -12.471 1.00 0.00 H new ATOM 0 HA HIS A 15 4.690 -4.819 -14.733 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.854 -4.187 -11.765 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.891 -3.196 -12.843 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.366 -6.634 -14.170 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.471 -6.236 -11.095 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.199 -7.616 -13.104 1.00 0.00 H new ATOM 247 N GLY A 16 7.373 -3.324 -14.057 1.00 0.00 N ATOM 248 CA GLY A 16 8.196 -2.191 -14.429 1.00 0.00 C ATOM 249 C GLY A 16 8.220 -1.050 -13.432 1.00 0.00 C ATOM 250 O GLY A 16 8.479 0.087 -13.825 1.00 0.00 O ATOM 0 H GLY A 16 7.884 -4.127 -13.689 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.217 -2.540 -14.581 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.844 -1.807 -15.387 1.00 0.00 H new ATOM 254 N LEU A 17 7.964 -1.306 -12.148 1.00 0.00 N ATOM 255 CA LEU A 17 7.988 -0.214 -11.183 1.00 0.00 C ATOM 256 C LEU A 17 9.412 0.058 -10.736 1.00 0.00 C ATOM 257 O LEU A 17 9.686 1.020 -10.022 1.00 0.00 O ATOM 258 CB LEU A 17 7.085 -0.497 -9.980 1.00 0.00 C ATOM 259 CG LEU A 17 5.739 -1.172 -10.287 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.649 -0.616 -9.384 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.328 -0.996 -11.744 1.00 0.00 C ATOM 0 H LEU A 17 7.746 -2.226 -11.765 1.00 0.00 H new ATOM 0 HA LEU A 17 7.596 0.676 -11.676 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.633 -1.128 -9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.887 0.446 -9.470 1.00 0.00 H new ATOM 0 HG LEU A 17 5.867 -2.238 -10.099 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.702 -1.104 -9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.910 -0.802 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.553 0.457 -9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.371 -1.489 -11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.234 0.066 -11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.085 -1.439 -12.392 1.00 0.00 H new ATOM 273 N ASP A 18 10.314 -0.788 -11.194 1.00 0.00 N ATOM 274 CA ASP A 18 11.731 -0.647 -10.878 1.00 0.00 C ATOM 275 C ASP A 18 12.330 0.476 -11.715 1.00 0.00 C ATOM 276 O ASP A 18 12.785 0.247 -12.837 1.00 0.00 O ATOM 277 CB ASP A 18 12.474 -1.960 -11.134 1.00 0.00 C ATOM 278 CG ASP A 18 13.977 -1.773 -11.210 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.584 -1.416 -10.179 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.547 -1.983 -12.302 1.00 0.00 O ATOM 0 H ASP A 18 10.094 -1.586 -11.790 1.00 0.00 H new ATOM 0 HA ASP A 18 11.836 -0.401 -9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.239 -2.667 -10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.118 -2.399 -12.066 1.00 0.00 H new ATOM 285 N ASN A 19 12.279 1.692 -11.169 1.00 0.00 N ATOM 286 CA ASN A 19 12.769 2.890 -11.852 1.00 0.00 C ATOM 287 C ASN A 19 11.675 3.442 -12.762 1.00 0.00 C ATOM 288 O ASN A 19 11.938 3.885 -13.881 1.00 0.00 O ATOM 289 CB ASN A 19 14.042 2.603 -12.657 1.00 0.00 C ATOM 290 CG ASN A 19 15.079 3.701 -12.509 1.00 0.00 C ATOM 291 OD1 ASN A 19 14.768 4.885 -12.631 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.320 3.310 -12.244 1.00 0.00 N ATOM 0 H ASN A 19 11.897 1.874 -10.241 1.00 0.00 H new ATOM 0 HA ASN A 19 13.024 3.633 -11.097 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.470 1.656 -12.329 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.785 2.489 -13.710 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.060 4.003 -12.133 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.533 2.317 -12.151 1.00 0.00 H new ATOM 299 N TYR A 20 10.441 3.394 -12.264 1.00 0.00 N ATOM 300 CA TYR A 20 9.281 3.872 -13.016 1.00 0.00 C ATOM 301 C TYR A 20 9.030 5.341 -12.729 1.00 0.00 C ATOM 302 O TYR A 20 8.897 5.740 -11.573 1.00 0.00 O ATOM 303 CB TYR A 20 8.040 3.049 -12.678 1.00 0.00 C ATOM 304 CG TYR A 20 6.914 3.225 -13.673 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.850 2.447 -14.822 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.920 4.172 -13.466 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.826 2.607 -15.735 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.893 4.338 -14.374 1.00 0.00 C ATOM 309 CZ TYR A 20 4.850 3.553 -15.507 1.00 0.00 C ATOM 310 OH TYR A 20 3.828 3.716 -16.415 1.00 0.00 O ATOM 0 H TYR A 20 10.218 3.027 -11.339 1.00 0.00 H new ATOM 0 HA TYR A 20 9.494 3.755 -14.079 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.313 1.995 -12.632 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.686 3.330 -11.686 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.613 1.705 -15.004 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.951 4.789 -12.580 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.790 1.994 -16.623 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.127 5.079 -14.198 1.00 0.00 H new ATOM 0 HH TYR A 20 3.946 3.087 -17.157 1.00 0.00 H new ATOM 320 N ARG A 21 8.999 6.150 -13.785 1.00 0.00 N ATOM 321 CA ARG A 21 8.808 7.583 -13.629 1.00 0.00 C ATOM 322 C ARG A 21 9.956 8.128 -12.795 1.00 0.00 C ATOM 323 O ARG A 21 9.889 9.221 -12.233 1.00 0.00 O ATOM 324 CB ARG A 21 7.466 7.891 -12.965 1.00 0.00 C ATOM 325 CG ARG A 21 6.470 8.558 -13.899 1.00 0.00 C ATOM 326 CD ARG A 21 6.901 9.972 -14.255 1.00 0.00 C ATOM 327 NE ARG A 21 6.782 10.235 -15.687 1.00 0.00 N ATOM 328 CZ ARG A 21 7.807 10.579 -16.461 1.00 0.00 C ATOM 329 NH1 ARG A 21 9.021 10.703 -15.943 1.00 0.00 N ATOM 330 NH2 ARG A 21 7.617 10.802 -17.755 1.00 0.00 N ATOM 0 H ARG A 21 9.103 5.837 -14.750 1.00 0.00 H new ATOM 0 HA ARG A 21 8.798 8.059 -14.609 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.034 6.964 -12.588 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.635 8.538 -12.104 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.371 7.967 -14.809 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.488 8.584 -13.427 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.291 10.687 -13.703 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.934 10.126 -13.942 1.00 0.00 H new ATOM 0 HE ARG A 21 5.861 10.150 -16.117 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.171 10.534 -14.948 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.805 10.967 -16.539 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.684 10.710 -18.157 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.404 11.066 -18.348 1.00 0.00 H new ATOM 344 N GLY A 22 11.015 7.328 -12.744 1.00 0.00 N ATOM 345 CA GLY A 22 12.201 7.690 -12.004 1.00 0.00 C ATOM 346 C GLY A 22 12.233 7.120 -10.597 1.00 0.00 C ATOM 347 O GLY A 22 13.131 7.454 -9.825 1.00 0.00 O ATOM 0 H GLY A 22 11.069 6.423 -13.211 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.079 7.343 -12.548 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.268 8.777 -11.949 1.00 0.00 H new ATOM 351 N TYR A 23 11.269 6.263 -10.241 1.00 0.00 N ATOM 352 CA TYR A 23 11.261 5.698 -8.902 1.00 0.00 C ATOM 353 C TYR A 23 11.620 4.220 -8.900 1.00 0.00 C ATOM 354 O TYR A 23 11.017 3.419 -9.607 1.00 0.00 O ATOM 355 CB TYR A 23 9.913 5.938 -8.229 1.00 0.00 C ATOM 356 CG TYR A 23 9.800 7.324 -7.636 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.660 7.738 -6.625 1.00 0.00 C ATOM 358 CD2 TYR A 23 8.844 8.222 -8.091 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.569 9.005 -6.083 1.00 0.00 C ATOM 360 CE2 TYR A 23 8.747 9.492 -7.554 1.00 0.00 C ATOM 361 CZ TYR A 23 9.611 9.879 -6.552 1.00 0.00 C ATOM 362 OH TYR A 23 9.516 11.142 -6.017 1.00 0.00 O ATOM 0 H TYR A 23 10.508 5.957 -10.847 1.00 0.00 H new ATOM 0 HA TYR A 23 12.033 6.210 -8.327 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.116 5.792 -8.958 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.766 5.197 -7.443 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.413 7.057 -6.257 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.166 7.924 -8.877 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.244 9.309 -5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.997 10.179 -7.918 1.00 0.00 H new ATOM 0 HH TYR A 23 8.791 11.631 -6.459 1.00 0.00 H new ATOM 372 N SER A 24 12.620 3.875 -8.091 1.00 0.00 N ATOM 373 CA SER A 24 13.083 2.503 -7.978 1.00 0.00 C ATOM 374 C SER A 24 12.083 1.663 -7.199 1.00 0.00 C ATOM 375 O SER A 24 11.281 2.187 -6.428 1.00 0.00 O ATOM 376 CB SER A 24 14.450 2.458 -7.294 1.00 0.00 C ATOM 377 OG SER A 24 14.388 3.015 -5.992 1.00 0.00 O ATOM 0 H SER A 24 13.125 4.537 -7.502 1.00 0.00 H new ATOM 0 HA SER A 24 13.177 2.090 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.797 1.426 -7.235 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.178 3.005 -7.893 1.00 0.00 H new ATOM 0 HG SER A 24 13.646 3.653 -5.944 1.00 0.00 H new ATOM 383 N LEU A 25 12.143 0.358 -7.417 1.00 0.00 N ATOM 384 CA LEU A 25 11.250 -0.589 -6.757 1.00 0.00 C ATOM 385 C LEU A 25 11.066 -0.266 -5.275 1.00 0.00 C ATOM 386 O LEU A 25 9.938 -0.150 -4.797 1.00 0.00 O ATOM 387 CB LEU A 25 11.792 -2.014 -6.916 1.00 0.00 C ATOM 388 CG LEU A 25 11.250 -2.812 -8.108 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.219 -4.297 -7.782 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.864 -2.329 -8.512 1.00 0.00 C ATOM 0 H LEU A 25 12.810 -0.076 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 25 10.274 -0.509 -7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.877 -1.961 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.573 -2.568 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 25 11.921 -2.651 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.832 -4.849 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.228 -4.641 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.575 -4.467 -6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.507 -2.914 -9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.178 -2.449 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.913 -1.277 -8.793 1.00 0.00 H new ATOM 402 N GLY A 26 12.176 -0.148 -4.550 1.00 0.00 N ATOM 403 CA GLY A 26 12.120 0.137 -3.124 1.00 0.00 C ATOM 404 C GLY A 26 11.130 1.229 -2.752 1.00 0.00 C ATOM 405 O GLY A 26 10.444 1.126 -1.736 1.00 0.00 O ATOM 0 H GLY A 26 13.119 -0.245 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.856 -0.776 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.113 0.429 -2.783 1.00 0.00 H new ATOM 409 N ASN A 27 11.059 2.278 -3.564 1.00 0.00 N ATOM 410 CA ASN A 27 10.149 3.390 -3.295 1.00 0.00 C ATOM 411 C ASN A 27 8.692 2.950 -3.403 1.00 0.00 C ATOM 412 O ASN A 27 7.822 3.458 -2.695 1.00 0.00 O ATOM 413 CB ASN A 27 10.418 4.541 -4.265 1.00 0.00 C ATOM 414 CG ASN A 27 11.880 4.942 -4.297 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.407 5.167 -5.496 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 12.529 5.050 -3.257 1.00 0.00 N flip ATOM 0 H ASN A 27 11.617 2.384 -4.411 1.00 0.00 H new ATOM 0 HA ASN A 27 10.328 3.730 -2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.102 4.249 -5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.814 5.402 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.085 4.868 -2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.511 5.322 -3.295 1.00 0.00 H new ATOM 423 N TRP A 28 8.437 2.003 -4.297 1.00 0.00 N ATOM 424 CA TRP A 28 7.092 1.485 -4.514 1.00 0.00 C ATOM 425 C TRP A 28 6.688 0.510 -3.422 1.00 0.00 C ATOM 426 O TRP A 28 5.517 0.444 -3.047 1.00 0.00 O ATOM 427 CB TRP A 28 7.010 0.823 -5.881 1.00 0.00 C ATOM 428 CG TRP A 28 7.406 1.757 -6.971 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.647 1.906 -7.500 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.563 2.691 -7.643 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.635 2.884 -8.458 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.368 3.382 -8.570 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.207 3.008 -7.551 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.866 4.379 -9.400 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.696 3.992 -8.371 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.524 4.672 -9.289 1.00 0.00 C ATOM 0 H TRP A 28 9.150 1.575 -4.888 1.00 0.00 H new ATOM 0 HA TRP A 28 6.394 2.321 -4.478 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.658 -0.054 -5.900 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.993 0.472 -6.055 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.517 1.336 -7.208 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.442 3.191 -9.001 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.569 2.491 -6.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.500 4.901 -10.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.648 4.246 -8.310 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.097 5.439 -9.918 1.00 0.00 H new ATOM 447 N VAL A 29 7.649 -0.247 -2.904 1.00 0.00 N ATOM 448 CA VAL A 29 7.366 -1.207 -1.850 1.00 0.00 C ATOM 449 C VAL A 29 7.057 -0.496 -0.543 1.00 0.00 C ATOM 450 O VAL A 29 6.059 -0.791 0.110 1.00 0.00 O ATOM 451 CB VAL A 29 8.553 -2.168 -1.641 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.297 -3.101 -0.466 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.826 -2.957 -2.912 1.00 0.00 C ATOM 0 H VAL A 29 8.625 -0.213 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 29 6.495 -1.785 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 29 9.438 -1.575 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.149 -3.769 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.158 -2.514 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.400 -3.690 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.667 -3.631 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.942 -3.537 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.065 -2.269 -3.723 1.00 0.00 H new ATOM 463 N CYS A 30 7.921 0.435 -0.161 1.00 0.00 N ATOM 464 CA CYS A 30 7.734 1.182 1.072 1.00 0.00 C ATOM 465 C CYS A 30 6.419 1.954 1.047 1.00 0.00 C ATOM 466 O CYS A 30 5.665 1.939 2.021 1.00 0.00 O ATOM 467 CB CYS A 30 8.901 2.142 1.296 1.00 0.00 C ATOM 468 SG CYS A 30 8.991 2.814 2.985 1.00 0.00 S ATOM 0 H CYS A 30 8.757 0.690 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 30 7.699 0.469 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.833 1.623 1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.819 2.969 0.591 1.00 0.00 H new ATOM 473 N ALA A 31 6.147 2.632 -0.066 1.00 0.00 N ATOM 474 CA ALA A 31 4.924 3.410 -0.204 1.00 0.00 C ATOM 475 C ALA A 31 3.691 2.522 -0.106 1.00 0.00 C ATOM 476 O ALA A 31 2.737 2.847 0.597 1.00 0.00 O ATOM 477 CB ALA A 31 4.927 4.162 -1.526 1.00 0.00 C ATOM 0 H ALA A 31 6.758 2.657 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 31 4.887 4.129 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.008 4.740 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.784 4.835 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.992 3.450 -2.349 1.00 0.00 H new ATOM 483 N ALA A 32 3.718 1.402 -0.820 1.00 0.00 N ATOM 484 CA ALA A 32 2.599 0.467 -0.819 1.00 0.00 C ATOM 485 C ALA A 32 2.422 -0.191 0.545 1.00 0.00 C ATOM 486 O ALA A 32 1.302 -0.329 1.034 1.00 0.00 O ATOM 487 CB ALA A 32 2.798 -0.589 -1.896 1.00 0.00 C ATOM 0 H ALA A 32 4.503 1.119 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 32 1.691 1.030 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.957 -1.282 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.860 -0.107 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.721 -1.136 -1.703 1.00 0.00 H new ATOM 493 N LYS A 33 3.531 -0.609 1.149 1.00 0.00 N ATOM 494 CA LYS A 33 3.503 -1.266 2.451 1.00 0.00 C ATOM 495 C LYS A 33 2.700 -0.468 3.469 1.00 0.00 C ATOM 496 O LYS A 33 1.774 -0.986 4.083 1.00 0.00 O ATOM 497 CB LYS A 33 4.928 -1.470 2.968 1.00 0.00 C ATOM 498 CG LYS A 33 5.008 -2.356 4.202 1.00 0.00 C ATOM 499 CD LYS A 33 6.360 -3.044 4.306 1.00 0.00 C ATOM 500 CE LYS A 33 6.568 -3.656 5.681 1.00 0.00 C ATOM 501 NZ LYS A 33 7.322 -4.938 5.610 1.00 0.00 N ATOM 0 H LYS A 33 4.465 -0.503 0.754 1.00 0.00 H new ATOM 0 HA LYS A 33 3.016 -2.233 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.533 -1.910 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.364 -0.498 3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.835 -1.755 5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.218 -3.106 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.433 -3.821 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.153 -2.324 4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.108 -2.952 6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.600 -3.830 6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.443 -5.323 6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.795 -5.619 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.256 -4.768 5.185 1.00 0.00 H new ATOM 515 N PHE A 34 3.071 0.784 3.670 1.00 0.00 N ATOM 516 CA PHE A 34 2.381 1.618 4.641 1.00 0.00 C ATOM 517 C PHE A 34 1.033 2.098 4.132 1.00 0.00 C ATOM 518 O PHE A 34 0.117 2.337 4.919 1.00 0.00 O ATOM 519 CB PHE A 34 3.247 2.793 5.046 1.00 0.00 C ATOM 520 CG PHE A 34 4.107 2.522 6.248 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.599 2.676 7.527 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.421 2.113 6.096 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.387 2.425 8.634 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.215 1.862 7.200 1.00 0.00 C ATOM 525 CZ PHE A 34 5.697 2.018 8.470 1.00 0.00 C ATOM 0 H PHE A 34 3.839 1.243 3.180 1.00 0.00 H new ATOM 0 HA PHE A 34 2.192 1.000 5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.886 3.068 4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.607 3.650 5.254 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.576 2.996 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.830 1.989 5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.979 2.547 9.627 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.239 1.544 7.069 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.315 1.822 9.334 1.00 0.00 H new ATOM 535 N GLU A 35 0.910 2.247 2.823 1.00 0.00 N ATOM 536 CA GLU A 35 -0.332 2.708 2.226 1.00 0.00 C ATOM 537 C GLU A 35 -1.480 1.738 2.485 1.00 0.00 C ATOM 538 O GLU A 35 -2.542 2.130 2.967 1.00 0.00 O ATOM 539 CB GLU A 35 -0.146 2.873 0.718 1.00 0.00 C ATOM 540 CG GLU A 35 0.012 4.317 0.273 1.00 0.00 C ATOM 541 CD GLU A 35 0.670 4.434 -1.087 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.008 4.162 -2.100 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.864 4.797 -1.140 1.00 0.00 O ATOM 0 H GLU A 35 1.656 2.055 2.154 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.585 3.664 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.733 2.308 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.004 2.437 0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.968 4.794 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.607 4.858 1.009 1.00 0.00 H new ATOM 550 N SER A 36 -1.277 0.483 2.102 1.00 0.00 N ATOM 551 CA SER A 36 -2.321 -0.529 2.233 1.00 0.00 C ATOM 552 C SER A 36 -1.820 -1.826 2.859 1.00 0.00 C ATOM 553 O SER A 36 -2.576 -2.791 2.971 1.00 0.00 O ATOM 554 CB SER A 36 -2.894 -0.836 0.847 1.00 0.00 C ATOM 555 OG SER A 36 -1.872 -1.262 -0.036 1.00 0.00 O ATOM 0 H SER A 36 -0.404 0.142 1.700 1.00 0.00 H new ATOM 0 HA SER A 36 -3.083 -0.122 2.898 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.657 -1.610 0.927 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.381 0.052 0.445 1.00 0.00 H new ATOM 0 HG SER A 36 -1.561 -0.500 -0.568 1.00 0.00 H new ATOM 561 N ASN A 37 -0.551 -1.863 3.242 1.00 0.00 N ATOM 562 CA ASN A 37 0.020 -3.073 3.827 1.00 0.00 C ATOM 563 C ASN A 37 -0.061 -4.211 2.818 1.00 0.00 C ATOM 564 O ASN A 37 -0.096 -5.378 3.186 1.00 0.00 O ATOM 565 CB ASN A 37 -0.712 -3.451 5.116 1.00 0.00 C ATOM 566 CG ASN A 37 0.224 -3.551 6.305 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.286 -4.170 6.223 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.165 -2.942 7.418 1.00 0.00 N ATOM 0 H ASN A 37 0.098 -1.080 3.161 1.00 0.00 H new ATOM 0 HA ASN A 37 1.064 -2.886 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.482 -2.708 5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.220 -4.405 4.976 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.424 -2.975 8.250 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.053 -2.440 7.441 1.00 0.00 H new ATOM 575 N PHE A 38 -0.079 -3.829 1.543 1.00 0.00 N ATOM 576 CA PHE A 38 -0.146 -4.752 0.418 1.00 0.00 C ATOM 577 C PHE A 38 -1.498 -5.441 0.346 1.00 0.00 C ATOM 578 O PHE A 38 -1.633 -6.497 -0.264 1.00 0.00 O ATOM 579 CB PHE A 38 0.997 -5.769 0.474 1.00 0.00 C ATOM 580 CG PHE A 38 2.348 -5.115 0.524 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.761 -4.280 -0.503 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.198 -5.321 1.599 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.996 -3.665 -0.460 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.436 -4.708 1.646 1.00 0.00 C ATOM 585 CZ PHE A 38 4.835 -3.879 0.615 1.00 0.00 C ATOM 0 H PHE A 38 -0.047 -2.850 1.260 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.029 -4.170 -0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.872 -6.403 1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.944 -6.419 -0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.109 -4.109 -1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.890 -5.967 2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.306 -3.017 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.091 -4.877 2.488 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.802 -3.399 0.650 1.00 0.00 H new ATOM 595 N ASN A 39 -2.511 -4.822 0.942 1.00 0.00 N ATOM 596 CA ASN A 39 -3.856 -5.381 0.915 1.00 0.00 C ATOM 597 C ASN A 39 -4.522 -5.047 -0.411 1.00 0.00 C ATOM 598 O ASN A 39 -4.756 -3.881 -0.730 1.00 0.00 O ATOM 599 CB ASN A 39 -4.685 -4.856 2.087 1.00 0.00 C ATOM 600 CG ASN A 39 -6.037 -5.536 2.193 1.00 0.00 C ATOM 601 OD1 ASN A 39 -7.017 -4.930 2.623 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.096 -6.806 1.803 1.00 0.00 N ATOM 0 H ASN A 39 -2.427 -3.939 1.446 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.791 -6.465 1.014 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.133 -5.006 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.830 -3.782 1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.979 -7.315 1.855 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.259 -7.271 1.452 1.00 0.00 H new ATOM 609 N THR A 40 -4.783 -6.082 -1.191 1.00 0.00 N ATOM 610 CA THR A 40 -5.377 -5.926 -2.507 1.00 0.00 C ATOM 611 C THR A 40 -6.764 -5.334 -2.389 1.00 0.00 C ATOM 612 O THR A 40 -7.327 -4.822 -3.356 1.00 0.00 O ATOM 613 CB THR A 40 -5.467 -7.279 -3.239 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.737 -7.891 -2.985 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.364 -8.221 -2.783 1.00 0.00 C ATOM 0 H THR A 40 -4.590 -7.049 -0.931 1.00 0.00 H new ATOM 0 HA THR A 40 -4.738 -5.256 -3.082 1.00 0.00 H new ATOM 0 HB THR A 40 -5.352 -7.090 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.283 -7.861 -3.798 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.451 -9.168 -3.315 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.393 -7.774 -2.995 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.456 -8.397 -1.711 1.00 0.00 H new ATOM 623 N GLN A 41 -7.315 -5.445 -1.196 1.00 0.00 N ATOM 624 CA GLN A 41 -8.650 -4.967 -0.913 1.00 0.00 C ATOM 625 C GLN A 41 -8.653 -3.776 0.049 1.00 0.00 C ATOM 626 O GLN A 41 -9.716 -3.319 0.470 1.00 0.00 O ATOM 627 CB GLN A 41 -9.443 -6.121 -0.319 1.00 0.00 C ATOM 628 CG GLN A 41 -10.223 -6.926 -1.346 1.00 0.00 C ATOM 629 CD GLN A 41 -11.440 -7.606 -0.751 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.440 -8.815 -0.523 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.487 -6.829 -0.498 1.00 0.00 N ATOM 0 H GLN A 41 -6.847 -5.870 -0.396 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.101 -4.616 -1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.758 -6.787 0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.137 -5.728 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.539 -6.267 -2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.569 -7.679 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.443 -5.831 -0.703 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.335 -7.230 -0.099 1.00 0.00 H new ATOM 640 N ALA A 42 -7.470 -3.292 0.412 1.00 0.00 N ATOM 641 CA ALA A 42 -7.353 -2.174 1.348 1.00 0.00 C ATOM 642 C ALA A 42 -8.016 -0.898 0.841 1.00 0.00 C ATOM 643 O ALA A 42 -7.684 -0.386 -0.233 1.00 0.00 O ATOM 644 CB ALA A 42 -5.895 -1.895 1.659 1.00 0.00 C ATOM 0 H ALA A 42 -6.578 -3.654 0.074 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.880 -2.477 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.825 -1.060 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.442 -2.780 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.368 -1.643 0.738 1.00 0.00 H new ATOM 650 N THR A 43 -8.934 -0.379 1.650 1.00 0.00 N ATOM 651 CA THR A 43 -9.644 0.855 1.343 1.00 0.00 C ATOM 652 C THR A 43 -9.421 1.860 2.471 1.00 0.00 C ATOM 653 O THR A 43 -9.561 1.516 3.645 1.00 0.00 O ATOM 654 CB THR A 43 -11.157 0.612 1.180 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.813 0.729 2.449 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.426 -0.766 0.593 1.00 0.00 C ATOM 0 H THR A 43 -9.206 -0.803 2.537 1.00 0.00 H new ATOM 0 HA THR A 43 -9.255 1.242 0.401 1.00 0.00 H new ATOM 0 HB THR A 43 -11.549 1.365 0.496 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.150 0.659 3.168 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.501 -0.913 0.488 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.952 -0.844 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.018 -1.530 1.255 1.00 0.00 H new ATOM 664 N ASN A 44 -9.061 3.094 2.129 1.00 0.00 N ATOM 665 CA ASN A 44 -8.814 4.115 3.146 1.00 0.00 C ATOM 666 C ASN A 44 -9.654 5.362 2.898 1.00 0.00 C ATOM 667 O ASN A 44 -9.369 6.145 1.992 1.00 0.00 O ATOM 668 CB ASN A 44 -7.330 4.485 3.173 1.00 0.00 C ATOM 669 CG ASN A 44 -6.773 4.534 4.583 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.031 5.476 5.332 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.003 3.517 4.950 1.00 0.00 N ATOM 0 H ASN A 44 -8.935 3.410 1.167 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.101 3.699 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.766 3.759 2.587 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.191 5.455 2.696 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.599 3.495 5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.816 2.757 4.296 1.00 0.00 H new ATOM 678 N ARG A 45 -10.690 5.543 3.713 1.00 0.00 N ATOM 679 CA ARG A 45 -11.572 6.696 3.587 1.00 0.00 C ATOM 680 C ARG A 45 -10.988 7.912 4.299 1.00 0.00 C ATOM 681 O ARG A 45 -10.681 7.859 5.490 1.00 0.00 O ATOM 682 CB ARG A 45 -12.954 6.372 4.159 1.00 0.00 C ATOM 683 CG ARG A 45 -14.089 6.595 3.174 1.00 0.00 C ATOM 684 CD ARG A 45 -15.353 5.868 3.605 1.00 0.00 C ATOM 685 NE ARG A 45 -16.540 6.706 3.468 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.624 6.346 2.788 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.670 5.166 2.183 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.663 7.165 2.712 1.00 0.00 N ATOM 0 H ARG A 45 -10.938 4.904 4.468 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.669 6.931 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.968 5.332 4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.125 6.987 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.293 7.662 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.788 6.248 2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.475 4.966 3.005 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.252 5.549 4.643 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.538 7.620 3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.872 4.533 2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.503 4.892 1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.632 8.073 3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.494 6.887 2.190 1.00 0.00 H new ATOM 702 N ASN A 46 -10.839 9.007 3.560 1.00 0.00 N ATOM 703 CA ASN A 46 -10.292 10.239 4.118 1.00 0.00 C ATOM 704 C ASN A 46 -11.398 11.252 4.390 1.00 0.00 C ATOM 705 O ASN A 46 -12.563 11.019 4.066 1.00 0.00 O ATOM 706 CB ASN A 46 -9.259 10.841 3.165 1.00 0.00 C ATOM 707 CG ASN A 46 -8.443 9.782 2.450 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.742 9.412 1.315 1.00 0.00 O ATOM 709 ND2 ASN A 46 -7.405 9.287 3.114 1.00 0.00 N ATOM 0 H ASN A 46 -11.089 9.066 2.573 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.807 9.995 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.768 11.462 2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.590 11.494 3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.819 8.571 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.193 9.623 4.054 1.00 0.00 H new ATOM 716 N THR A 47 -11.023 12.376 4.989 1.00 0.00 N ATOM 717 CA THR A 47 -11.978 13.431 5.311 1.00 0.00 C ATOM 718 C THR A 47 -12.259 14.309 4.097 1.00 0.00 C ATOM 719 O THR A 47 -13.235 15.057 4.074 1.00 0.00 O ATOM 720 CB THR A 47 -11.472 14.316 6.464 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.161 14.810 6.164 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.438 13.536 7.770 1.00 0.00 C ATOM 0 H THR A 47 -10.062 12.581 5.262 1.00 0.00 H new ATOM 0 HA THR A 47 -12.899 12.937 5.620 1.00 0.00 H new ATOM 0 HB THR A 47 -12.159 15.155 6.577 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.847 15.374 6.902 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.077 14.182 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.442 13.186 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.771 12.680 7.666 1.00 0.00 H new ATOM 730 N ASP A 48 -11.397 14.213 3.089 1.00 0.00 N ATOM 731 CA ASP A 48 -11.554 15.000 1.871 1.00 0.00 C ATOM 732 C ASP A 48 -12.684 14.449 1.007 1.00 0.00 C ATOM 733 O ASP A 48 -13.071 15.059 0.009 1.00 0.00 O ATOM 734 CB ASP A 48 -10.248 15.017 1.076 1.00 0.00 C ATOM 735 CG ASP A 48 -9.671 13.629 0.877 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.440 12.648 0.958 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.449 13.522 0.641 1.00 0.00 O ATOM 0 H ASP A 48 -10.583 13.598 3.092 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.807 16.020 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.424 15.476 0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.519 15.639 1.595 1.00 0.00 H new ATOM 742 N GLY A 49 -13.209 13.293 1.399 1.00 0.00 N ATOM 743 CA GLY A 49 -14.292 12.677 0.653 1.00 0.00 C ATOM 744 C GLY A 49 -13.827 11.517 -0.205 1.00 0.00 C ATOM 745 O GLY A 49 -14.578 10.569 -0.437 1.00 0.00 O ATOM 0 H GLY A 49 -12.904 12.771 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.053 12.326 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.763 13.427 0.018 1.00 0.00 H new ATOM 749 N SER A 50 -12.587 11.590 -0.678 1.00 0.00 N ATOM 750 CA SER A 50 -12.029 10.534 -1.516 1.00 0.00 C ATOM 751 C SER A 50 -11.627 9.325 -0.677 1.00 0.00 C ATOM 752 O SER A 50 -11.737 9.341 0.549 1.00 0.00 O ATOM 753 CB SER A 50 -10.823 11.049 -2.303 1.00 0.00 C ATOM 754 OG SER A 50 -10.151 12.077 -1.597 1.00 0.00 O ATOM 0 H SER A 50 -11.951 12.367 -0.496 1.00 0.00 H new ATOM 0 HA SER A 50 -12.802 10.225 -2.220 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.134 10.227 -2.497 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.151 11.425 -3.272 1.00 0.00 H new ATOM 0 HG SER A 50 -10.112 11.849 -0.645 1.00 0.00 H new ATOM 760 N THR A 51 -11.170 8.277 -1.351 1.00 0.00 N ATOM 761 CA THR A 51 -10.759 7.051 -0.677 1.00 0.00 C ATOM 762 C THR A 51 -9.533 6.435 -1.343 1.00 0.00 C ATOM 763 O THR A 51 -9.092 6.892 -2.397 1.00 0.00 O ATOM 764 CB THR A 51 -11.900 6.019 -0.670 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.167 6.688 -0.662 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.803 5.101 0.538 1.00 0.00 C ATOM 0 H THR A 51 -11.074 8.251 -2.366 1.00 0.00 H new ATOM 0 HA THR A 51 -10.507 7.319 0.349 1.00 0.00 H new ATOM 0 HB THR A 51 -11.811 5.414 -1.572 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.883 6.035 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.622 4.383 0.516 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.852 4.568 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.864 5.693 1.451 1.00 0.00 H new ATOM 774 N ASP A 52 -8.988 5.395 -0.719 1.00 0.00 N ATOM 775 CA ASP A 52 -7.811 4.709 -1.246 1.00 0.00 C ATOM 776 C ASP A 52 -8.101 3.235 -1.459 1.00 0.00 C ATOM 777 O ASP A 52 -7.826 2.402 -0.594 1.00 0.00 O ATOM 778 CB ASP A 52 -6.628 4.879 -0.292 1.00 0.00 C ATOM 779 CG ASP A 52 -6.289 6.337 -0.047 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.082 7.072 -1.035 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.232 6.744 1.132 1.00 0.00 O ATOM 0 H ASP A 52 -9.343 5.007 0.155 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.557 5.154 -2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.859 4.398 0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.756 4.370 -0.704 1.00 0.00 H new ATOM 786 N TYR A 53 -8.659 2.917 -2.620 1.00 0.00 N ATOM 787 CA TYR A 53 -8.985 1.542 -2.948 1.00 0.00 C ATOM 788 C TYR A 53 -7.895 0.909 -3.802 1.00 0.00 C ATOM 789 O TYR A 53 -8.007 0.866 -5.025 1.00 0.00 O ATOM 790 CB TYR A 53 -10.313 1.456 -3.706 1.00 0.00 C ATOM 791 CG TYR A 53 -11.489 2.104 -3.010 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.060 1.526 -1.886 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.038 3.284 -3.492 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.144 2.108 -1.257 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.124 3.870 -2.872 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.674 3.278 -1.754 1.00 0.00 C ATOM 797 OH TYR A 53 -14.756 3.858 -1.135 1.00 0.00 O ATOM 0 H TYR A 53 -8.894 3.593 -3.347 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.069 1.001 -2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.187 1.922 -4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.547 0.406 -3.881 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.651 0.606 -1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.609 3.751 -4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.574 1.647 -0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.541 4.787 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.736 3.649 -0.178 1.00 0.00 H new ATOM 807 N GLY A 54 -6.823 0.443 -3.181 1.00 0.00 N ATOM 808 CA GLY A 54 -5.756 -0.167 -3.955 1.00 0.00 C ATOM 809 C GLY A 54 -4.495 -0.372 -3.145 1.00 0.00 C ATOM 810 O GLY A 54 -4.323 0.244 -2.094 1.00 0.00 O ATOM 0 H GLY A 54 -6.671 0.473 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.096 -1.128 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.532 0.462 -4.817 1.00 0.00 H new ATOM 814 N ILE A 55 -3.593 -1.215 -3.645 1.00 0.00 N ATOM 815 CA ILE A 55 -2.334 -1.449 -2.956 1.00 0.00 C ATOM 816 C ILE A 55 -1.518 -0.166 -3.004 1.00 0.00 C ATOM 817 O ILE A 55 -0.739 0.135 -2.099 1.00 0.00 O ATOM 818 CB ILE A 55 -1.529 -2.609 -3.583 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.344 -2.978 -2.689 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.050 -2.228 -4.973 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.258 -4.329 -3.012 1.00 0.00 C ATOM 0 H ILE A 55 -3.711 -1.739 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.550 -1.735 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.180 -3.479 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.426 -2.213 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.669 -2.973 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.484 -3.055 -5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.909 -2.009 -5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.412 -1.347 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.093 -4.525 -2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.499 -5.104 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.614 -4.332 -4.042 1.00 0.00 H new ATOM 833 N LEU A 56 -1.752 0.608 -4.063 1.00 0.00 N ATOM 834 CA LEU A 56 -1.097 1.893 -4.244 1.00 0.00 C ATOM 835 C LEU A 56 -2.101 3.003 -3.946 1.00 0.00 C ATOM 836 O LEU A 56 -1.835 4.176 -4.197 1.00 0.00 O ATOM 837 CB LEU A 56 -0.539 2.048 -5.674 1.00 0.00 C ATOM 838 CG LEU A 56 0.983 2.276 -5.778 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.477 3.163 -4.645 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.714 0.942 -5.767 1.00 0.00 C ATOM 0 H LEU A 56 -2.398 0.360 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.253 1.957 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.793 1.153 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.047 2.885 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 56 1.192 2.784 -6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.553 3.309 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.974 4.129 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.259 2.687 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.788 1.115 -5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.494 0.414 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.384 0.340 -6.613 1.00 0.00 H new ATOM 852 N GLN A 57 -3.262 2.611 -3.398 1.00 0.00 N ATOM 853 CA GLN A 57 -4.327 3.552 -3.040 1.00 0.00 C ATOM 854 C GLN A 57 -4.995 4.157 -4.270 1.00 0.00 C ATOM 855 O GLN A 57 -4.721 5.306 -4.623 1.00 0.00 O ATOM 856 CB GLN A 57 -3.776 4.663 -2.143 1.00 0.00 C ATOM 857 CG GLN A 57 -3.253 4.164 -0.807 1.00 0.00 C ATOM 858 CD GLN A 57 -3.289 5.230 0.271 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.709 6.388 -0.022 1.00 0.00 O flip ATOM 860 NE2 GLN A 57 -3.835 5.016 1.354 1.00 0.00 N flip ATOM 0 H GLN A 57 -3.485 1.637 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.086 2.990 -2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.972 5.178 -2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.561 5.397 -1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.847 3.308 -0.486 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.229 3.813 -0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.269 4.111 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.854 5.744 2.068 1.00 0.00 H new ATOM 869 N ILE A 58 -5.862 3.390 -4.941 1.00 0.00 N ATOM 870 CA ILE A 58 -6.525 3.888 -6.128 1.00 0.00 C ATOM 871 C ILE A 58 -7.797 4.625 -5.763 1.00 0.00 C ATOM 872 O ILE A 58 -8.853 4.018 -5.579 1.00 0.00 O ATOM 873 CB ILE A 58 -6.847 2.753 -7.116 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.635 1.829 -7.279 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.269 3.325 -8.461 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.329 2.562 -7.508 1.00 0.00 C ATOM 0 H ILE A 58 -6.111 2.436 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.838 4.580 -6.615 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.675 2.168 -6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.541 1.209 -6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.814 1.156 -8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.493 2.510 -9.149 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.156 3.944 -8.331 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.460 3.931 -8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.520 1.839 -7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.402 3.160 -8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.124 3.214 -6.659 1.00 0.00 H new ATOM 888 N ASN A 59 -7.688 5.942 -5.667 1.00 0.00 N ATOM 889 CA ASN A 59 -8.828 6.772 -5.336 1.00 0.00 C ATOM 890 C ASN A 59 -9.901 6.604 -6.397 1.00 0.00 C ATOM 891 O ASN A 59 -9.807 7.183 -7.479 1.00 0.00 O ATOM 892 CB ASN A 59 -8.402 8.237 -5.246 1.00 0.00 C ATOM 893 CG ASN A 59 -9.562 9.162 -4.929 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.633 8.718 -4.517 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.352 10.460 -5.118 1.00 0.00 N ATOM 0 H ASN A 59 -6.819 6.456 -5.814 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.228 6.466 -4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.637 8.343 -4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.949 8.539 -6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.094 11.131 -4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.448 10.786 -5.461 1.00 0.00 H new ATOM 902 N SER A 60 -10.922 5.813 -6.091 1.00 0.00 N ATOM 903 CA SER A 60 -12.009 5.579 -7.037 1.00 0.00 C ATOM 904 C SER A 60 -12.809 6.853 -7.302 1.00 0.00 C ATOM 905 O SER A 60 -13.514 6.950 -8.305 1.00 0.00 O ATOM 906 CB SER A 60 -12.942 4.490 -6.506 1.00 0.00 C ATOM 907 OG SER A 60 -13.951 5.041 -5.677 1.00 0.00 O ATOM 0 H SER A 60 -11.021 5.325 -5.201 1.00 0.00 H new ATOM 0 HA SER A 60 -11.563 5.256 -7.978 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.402 3.962 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.366 3.756 -5.943 1.00 0.00 H new ATOM 0 HG SER A 60 -14.435 4.318 -5.226 1.00 0.00 H new ATOM 913 N ARG A 61 -12.703 7.830 -6.406 1.00 0.00 N ATOM 914 CA ARG A 61 -13.426 9.087 -6.569 1.00 0.00 C ATOM 915 C ARG A 61 -12.613 10.064 -7.407 1.00 0.00 C ATOM 916 O ARG A 61 -12.842 11.274 -7.371 1.00 0.00 O ATOM 917 CB ARG A 61 -13.738 9.702 -5.203 1.00 0.00 C ATOM 918 CG ARG A 61 -14.975 10.585 -5.202 1.00 0.00 C ATOM 919 CD ARG A 61 -14.728 11.888 -4.459 1.00 0.00 C ATOM 920 NE ARG A 61 -15.128 13.051 -5.247 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.382 13.487 -5.336 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.354 12.856 -4.690 1.00 0.00 N ATOM 923 NH2 ARG A 61 -16.665 14.552 -6.072 1.00 0.00 N ATOM 0 H ARG A 61 -12.128 7.777 -5.565 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.364 8.880 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.873 8.901 -4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.881 10.291 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.270 10.801 -6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.804 10.051 -4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.280 11.880 -3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.670 11.967 -4.207 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.405 13.558 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.141 12.035 -4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.315 13.192 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.921 15.039 -6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.627 14.885 -6.139 1.00 0.00 H new ATOM 937 N TRP A 62 -11.663 9.528 -8.164 1.00 0.00 N ATOM 938 CA TRP A 62 -10.814 10.355 -9.015 1.00 0.00 C ATOM 939 C TRP A 62 -10.114 9.551 -10.115 1.00 0.00 C ATOM 940 O TRP A 62 -9.408 10.131 -10.941 1.00 0.00 O ATOM 941 CB TRP A 62 -9.769 11.078 -8.165 1.00 0.00 C ATOM 942 CG TRP A 62 -9.653 12.538 -8.480 1.00 0.00 C ATOM 943 CD1 TRP A 62 -9.028 13.098 -9.556 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.176 13.625 -7.708 1.00 0.00 C ATOM 945 NE1 TRP A 62 -9.130 14.467 -9.502 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.831 14.816 -8.377 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.904 13.709 -6.517 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -10.188 16.072 -7.894 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.258 14.957 -6.039 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.900 16.123 -6.727 1.00 0.00 C ATOM 0 H TRP A 62 -11.461 8.529 -8.207 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.466 11.077 -9.506 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.023 10.960 -7.112 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.799 10.604 -8.314 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.526 12.545 -10.337 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.747 15.118 -10.187 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.185 12.815 -5.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.913 16.973 -8.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.820 15.034 -5.120 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.192 17.083 -6.328 1.00 0.00 H new ATOM 961 N TRP A 63 -10.280 8.227 -10.127 1.00 0.00 N ATOM 962 CA TRP A 63 -9.621 7.402 -11.134 1.00 0.00 C ATOM 963 C TRP A 63 -10.560 6.371 -11.749 1.00 0.00 C ATOM 964 O TRP A 63 -10.853 6.420 -12.944 1.00 0.00 O ATOM 965 CB TRP A 63 -8.407 6.700 -10.519 1.00 0.00 C ATOM 966 CG TRP A 63 -7.319 7.654 -10.136 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.692 7.770 -8.927 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.746 8.643 -10.983 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.751 8.774 -8.985 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.770 9.327 -10.240 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.971 9.008 -12.304 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.017 10.365 -10.788 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.236 10.031 -12.848 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.265 10.705 -12.092 1.00 0.00 C ATOM 0 H TRP A 63 -10.856 7.712 -9.461 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.300 8.066 -11.937 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.723 6.143 -9.637 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.014 5.974 -11.230 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.903 7.165 -8.057 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.140 9.060 -8.220 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.714 8.494 -12.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.267 10.881 -10.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.408 10.322 -13.874 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.702 11.507 -12.547 1.00 0.00 H new ATOM 985 N CYS A 64 -11.003 5.419 -10.939 1.00 0.00 N ATOM 986 CA CYS A 64 -11.879 4.364 -11.431 1.00 0.00 C ATOM 987 C CYS A 64 -13.347 4.669 -11.188 1.00 0.00 C ATOM 988 O CYS A 64 -13.702 5.460 -10.315 1.00 0.00 O ATOM 989 CB CYS A 64 -11.512 3.016 -10.802 1.00 0.00 C ATOM 990 SG CYS A 64 -12.212 2.740 -9.141 1.00 0.00 S ATOM 0 H CYS A 64 -10.773 5.355 -9.947 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.730 4.310 -12.509 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.850 2.217 -11.462 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.426 2.941 -10.742 1.00 0.00 H new ATOM 995 N ASN A 65 -14.195 4.024 -11.981 1.00 0.00 N ATOM 996 CA ASN A 65 -15.639 4.209 -11.877 1.00 0.00 C ATOM 997 C ASN A 65 -16.279 3.067 -11.093 1.00 0.00 C ATOM 998 O ASN A 65 -16.318 1.927 -11.557 1.00 0.00 O ATOM 999 CB ASN A 65 -16.265 4.297 -13.269 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.773 4.446 -13.218 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.293 5.515 -12.900 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.484 3.368 -13.529 1.00 0.00 N ATOM 0 H ASN A 65 -13.907 3.366 -12.705 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.822 5.142 -11.343 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.837 5.145 -13.804 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.010 3.401 -13.836 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.503 3.406 -13.510 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.011 2.502 -13.787 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.777 3.381 -9.901 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.416 2.382 -9.052 1.00 0.00 C ATOM 1011 C ASP A 66 -18.935 2.461 -9.164 1.00 0.00 C ATOM 1012 O ASP A 66 -19.647 1.562 -8.718 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.986 2.572 -7.595 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.501 3.869 -7.001 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.730 4.826 -7.770 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.674 3.928 -5.765 1.00 0.00 O ATOM 0 H ASP A 66 -16.750 4.319 -9.501 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.099 1.396 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.350 1.734 -7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.898 2.556 -7.536 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.424 3.541 -9.766 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.855 3.717 -9.930 1.00 0.00 C ATOM 1023 C GLY A 67 -21.524 4.263 -8.683 1.00 0.00 C ATOM 1024 O GLY A 67 -22.722 4.546 -8.687 1.00 0.00 O ATOM 0 H GLY A 67 -18.854 4.298 -10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.040 4.395 -10.763 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.307 2.760 -10.191 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.749 4.409 -7.613 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.275 4.923 -6.354 1.00 0.00 C ATOM 1030 C ARG A 68 -20.903 6.391 -6.166 1.00 0.00 C ATOM 1031 O ARG A 68 -21.114 6.962 -5.097 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.747 4.097 -5.180 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.741 3.957 -4.039 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.323 2.865 -3.066 1.00 0.00 C ATOM 1035 NE ARG A 68 -22.190 2.816 -1.892 1.00 0.00 N ATOM 1036 CZ ARG A 68 -21.980 2.015 -0.852 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -20.934 1.199 -0.841 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -22.815 2.029 0.176 1.00 0.00 N ATOM 0 H ARG A 68 -19.756 4.179 -7.593 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.362 4.844 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.476 3.104 -5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.835 4.560 -4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.824 4.906 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -22.728 3.729 -4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -21.345 1.900 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.294 3.036 -2.750 1.00 0.00 H new ATOM 0 HE ARG A 68 -23.003 3.431 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -20.289 1.186 -1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -20.774 0.585 -0.042 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -23.620 2.655 0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -22.653 1.414 0.973 1.00 0.00 H new ATOM 1052 N THR A 69 -20.348 6.994 -7.212 1.00 0.00 N ATOM 1053 CA THR A 69 -19.948 8.396 -7.163 1.00 0.00 C ATOM 1054 C THR A 69 -20.022 9.039 -8.546 1.00 0.00 C ATOM 1055 O THR A 69 -19.107 8.891 -9.357 1.00 0.00 O ATOM 1056 CB THR A 69 -18.517 8.552 -6.614 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.236 7.512 -5.669 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.339 9.909 -5.948 1.00 0.00 C ATOM 0 H THR A 69 -20.165 6.534 -8.104 1.00 0.00 H new ATOM 0 HA THR A 69 -20.645 8.900 -6.493 1.00 0.00 H new ATOM 0 HB THR A 69 -17.822 8.479 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.324 7.619 -5.327 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.321 9.997 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.524 10.699 -6.676 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.044 10.004 -5.122 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.116 9.763 -8.836 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.306 10.429 -10.130 1.00 0.00 C ATOM 1068 C PRO A 70 -20.230 11.475 -10.406 1.00 0.00 C ATOM 1069 O PRO A 70 -19.976 11.828 -11.557 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.679 11.100 -10.000 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.352 10.399 -8.870 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.256 9.988 -7.931 1.00 0.00 C ATOM 0 HA PRO A 70 -21.242 9.723 -10.958 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.578 12.166 -9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.253 11.003 -10.921 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -24.067 11.055 -8.373 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.909 9.532 -9.224 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -22.042 10.764 -7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.516 9.086 -7.376 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.605 11.969 -9.342 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.566 12.972 -9.490 1.00 0.00 C ATOM 1082 C GLY A 71 -17.197 12.364 -9.724 1.00 0.00 C ATOM 1083 O GLY A 71 -16.189 13.072 -9.722 1.00 0.00 O ATOM 0 H GLY A 71 -19.799 11.693 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.816 13.628 -10.324 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.535 13.593 -8.595 1.00 0.00 H new ATOM 1087 N SER A 72 -17.159 11.051 -9.926 1.00 0.00 N ATOM 1088 CA SER A 72 -15.905 10.349 -10.162 1.00 0.00 C ATOM 1089 C SER A 72 -15.304 10.744 -11.507 1.00 0.00 C ATOM 1090 O SER A 72 -15.971 10.682 -12.540 1.00 0.00 O ATOM 1091 CB SER A 72 -16.126 8.836 -10.116 1.00 0.00 C ATOM 1092 OG SER A 72 -16.096 8.357 -8.783 1.00 0.00 O ATOM 0 H SER A 72 -17.984 10.452 -9.931 1.00 0.00 H new ATOM 0 HA SER A 72 -15.207 10.632 -9.374 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.085 8.591 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.357 8.335 -10.703 1.00 0.00 H new ATOM 0 HG SER A 72 -15.310 7.785 -8.659 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.039 11.148 -11.484 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.339 11.551 -12.699 1.00 0.00 C ATOM 1100 C ARG A 73 -13.315 10.406 -13.708 1.00 0.00 C ATOM 1101 O ARG A 73 -13.447 10.621 -14.913 1.00 0.00 O ATOM 1102 CB ARG A 73 -11.912 11.990 -12.372 1.00 0.00 C ATOM 1103 CG ARG A 73 -11.815 13.422 -11.874 1.00 0.00 C ATOM 1104 CD ARG A 73 -10.822 14.231 -12.691 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.483 15.027 -13.723 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.109 16.174 -13.480 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.160 16.660 -12.247 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -12.686 16.838 -14.473 1.00 0.00 N ATOM 0 H ARG A 73 -13.476 11.205 -10.636 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.874 12.393 -13.138 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.500 11.322 -11.615 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.294 11.882 -13.263 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.797 13.893 -11.924 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.513 13.424 -10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.260 14.890 -12.029 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.103 13.558 -13.157 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.463 14.683 -14.683 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.718 16.153 -11.480 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.642 17.541 -12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.649 16.468 -15.423 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.166 17.718 -14.287 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.153 9.188 -13.198 1.00 0.00 N ATOM 1123 CA ASN A 74 -13.117 7.993 -14.038 1.00 0.00 C ATOM 1124 C ASN A 74 -12.054 8.140 -15.109 1.00 0.00 C ATOM 1125 O ASN A 74 -12.123 7.520 -16.170 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.484 7.746 -14.680 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.593 6.367 -15.302 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.833 5.459 -14.966 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -15.543 6.204 -16.216 1.00 0.00 N ATOM 0 H ASN A 74 -13.044 9.002 -12.201 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.870 7.136 -13.411 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.262 7.864 -13.926 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.664 8.501 -15.445 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.664 5.298 -16.669 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.151 6.984 -16.464 1.00 0.00 H new ATOM 1136 N LEU A 75 -11.057 8.957 -14.803 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.950 9.192 -15.696 1.00 0.00 C ATOM 1138 C LEU A 75 -9.349 7.877 -16.118 1.00 0.00 C ATOM 1139 O LEU A 75 -9.583 7.374 -17.218 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.914 10.000 -14.939 1.00 0.00 C ATOM 1141 CG LEU A 75 -9.073 11.514 -15.071 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.974 12.250 -14.322 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -9.091 11.930 -16.536 1.00 0.00 C ATOM 0 H LEU A 75 -11.000 9.473 -13.925 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.284 9.726 -16.586 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.963 9.733 -13.883 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.922 9.719 -15.293 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.028 11.788 -14.623 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.114 13.325 -14.435 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.015 11.987 -13.265 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.003 11.966 -14.729 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.205 13.012 -16.606 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.156 11.632 -17.010 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.925 11.444 -17.042 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.584 7.344 -15.194 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.913 6.077 -15.340 1.00 0.00 C ATOM 1157 C CYS A 76 -8.772 5.079 -16.112 1.00 0.00 C ATOM 1158 O CYS A 76 -8.255 4.218 -16.826 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.651 5.566 -13.944 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.982 4.902 -13.660 1.00 0.00 S ATOM 0 H CYS A 76 -8.408 7.794 -14.296 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.988 6.199 -15.903 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.826 6.378 -13.239 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.378 4.786 -13.718 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.090 5.208 -15.958 1.00 0.00 N ATOM 1166 CA ASN A 77 -11.034 4.325 -16.632 1.00 0.00 C ATOM 1167 C ASN A 77 -10.679 2.875 -16.349 1.00 0.00 C ATOM 1168 O ASN A 77 -10.460 2.083 -17.265 1.00 0.00 O ATOM 1169 CB ASN A 77 -11.031 4.586 -18.140 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.398 4.382 -18.765 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -13.064 3.378 -18.514 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.821 5.337 -19.585 1.00 0.00 N ATOM 0 H ASN A 77 -10.526 5.918 -15.370 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.035 4.527 -16.250 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.697 5.606 -18.329 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.312 3.921 -18.620 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.732 5.255 -20.036 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.235 6.152 -19.764 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.604 2.543 -15.067 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.251 1.196 -14.655 1.00 0.00 C ATOM 1181 C ILE A 78 -11.352 0.552 -13.818 1.00 0.00 C ATOM 1182 O ILE A 78 -12.106 1.245 -13.135 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.931 1.190 -13.856 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.200 1.091 -12.343 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.135 2.437 -14.188 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.281 1.942 -11.488 1.00 0.00 C ATOM 0 H ILE A 78 -10.783 3.188 -14.298 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.124 0.612 -15.566 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.349 0.313 -14.139 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.232 1.384 -12.149 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -9.102 0.050 -12.036 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.202 2.434 -13.624 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.914 2.454 -15.255 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.716 3.321 -13.924 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.539 1.813 -10.437 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.247 1.635 -11.648 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.395 2.990 -11.764 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.443 -0.787 -13.836 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.436 -1.508 -13.046 1.00 0.00 C ATOM 1200 C PRO A 79 -12.031 -1.528 -11.578 1.00 0.00 C ATOM 1201 O PRO A 79 -10.987 -2.075 -11.222 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.409 -2.912 -13.645 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.022 -3.072 -14.166 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.571 -1.701 -14.599 1.00 0.00 C ATOM 0 HA PRO A 79 -13.428 -1.057 -13.077 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.640 -3.668 -12.894 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.146 -3.018 -14.441 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.362 -3.473 -13.397 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.999 -3.771 -15.002 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.519 -1.535 -14.369 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.688 -1.562 -15.674 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.841 -0.904 -10.734 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.544 -0.825 -9.309 1.00 0.00 C ATOM 1214 C CYS A 80 -12.493 -2.202 -8.652 1.00 0.00 C ATOM 1215 O CYS A 80 -11.455 -2.604 -8.127 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.573 0.065 -8.612 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.889 1.641 -9.477 1.00 0.00 S ATOM 0 H CYS A 80 -13.709 -0.445 -11.010 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.552 -0.385 -9.202 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.511 -0.483 -8.520 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.229 0.279 -7.600 1.00 0.00 H new ATOM 1222 N SER A 81 -13.612 -2.917 -8.670 1.00 0.00 N ATOM 1223 CA SER A 81 -13.683 -4.243 -8.057 1.00 0.00 C ATOM 1224 C SER A 81 -12.703 -5.222 -8.701 1.00 0.00 C ATOM 1225 O SER A 81 -12.322 -6.218 -8.086 1.00 0.00 O ATOM 1226 CB SER A 81 -15.107 -4.794 -8.155 1.00 0.00 C ATOM 1227 OG SER A 81 -15.684 -4.497 -9.414 1.00 0.00 O ATOM 0 H SER A 81 -14.482 -2.604 -9.101 1.00 0.00 H new ATOM 0 HA SER A 81 -13.404 -4.134 -7.009 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.094 -5.873 -8.003 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.720 -4.368 -7.361 1.00 0.00 H new ATOM 0 HG SER A 81 -16.593 -4.861 -9.451 1.00 0.00 H new ATOM 1233 N ALA A 82 -12.293 -4.940 -9.934 1.00 0.00 N ATOM 1234 CA ALA A 82 -11.353 -5.810 -10.636 1.00 0.00 C ATOM 1235 C ALA A 82 -9.914 -5.411 -10.334 1.00 0.00 C ATOM 1236 O ALA A 82 -8.984 -6.191 -10.538 1.00 0.00 O ATOM 1237 CB ALA A 82 -11.612 -5.777 -12.135 1.00 0.00 C ATOM 0 H ALA A 82 -12.594 -4.123 -10.465 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.505 -6.829 -10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.902 -6.431 -12.641 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.627 -6.118 -12.336 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.492 -4.758 -12.503 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.744 -4.193 -9.833 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.421 -3.687 -9.484 1.00 0.00 C ATOM 1245 C LEU A 83 -8.086 -4.049 -8.043 1.00 0.00 C ATOM 1246 O LEU A 83 -6.975 -3.814 -7.569 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.355 -2.166 -9.691 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.566 -1.312 -8.437 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.233 -0.973 -7.790 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -9.322 -0.039 -8.782 1.00 0.00 C ATOM 0 H LEU A 83 -10.506 -3.537 -9.659 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.684 -4.151 -10.139 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.383 -1.918 -10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.107 -1.886 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.159 -1.888 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.404 -0.366 -6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.721 -1.893 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.617 -0.417 -8.496 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.463 0.556 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.752 0.537 -9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.294 -0.296 -9.203 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.060 -4.629 -7.357 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.890 -5.030 -5.969 1.00 0.00 C ATOM 1264 C LEU A 84 -8.674 -6.532 -5.859 1.00 0.00 C ATOM 1265 O LEU A 84 -8.533 -7.074 -4.763 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.110 -4.594 -5.163 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.470 -3.117 -5.321 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.533 -2.714 -4.316 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.231 -2.242 -5.172 1.00 0.00 C ATOM 0 H LEU A 84 -9.982 -4.833 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.003 -4.542 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.965 -5.199 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.928 -4.801 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.874 -2.970 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.775 -1.659 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.429 -3.314 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.160 -2.879 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.509 -1.195 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.794 -2.394 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.502 -2.510 -5.937 1.00 0.00 H new ATOM 1281 N SER A 85 -8.633 -7.194 -7.008 1.00 0.00 N ATOM 1282 CA SER A 85 -8.414 -8.634 -7.060 1.00 0.00 C ATOM 1283 C SER A 85 -7.013 -8.982 -6.585 1.00 0.00 C ATOM 1284 O SER A 85 -6.282 -8.130 -6.079 1.00 0.00 O ATOM 1285 CB SER A 85 -8.624 -9.150 -8.486 1.00 0.00 C ATOM 1286 OG SER A 85 -9.036 -10.505 -8.482 1.00 0.00 O ATOM 0 H SER A 85 -8.749 -6.754 -7.921 1.00 0.00 H new ATOM 0 HA SER A 85 -9.135 -9.113 -6.398 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.374 -8.540 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.698 -9.050 -9.052 1.00 0.00 H new ATOM 0 HG SER A 85 -9.165 -10.810 -9.404 1.00 0.00 H new ATOM 1292 N SER A 86 -6.644 -10.239 -6.762 1.00 0.00 N ATOM 1293 CA SER A 86 -5.325 -10.718 -6.364 1.00 0.00 C ATOM 1294 C SER A 86 -4.289 -10.342 -7.416 1.00 0.00 C ATOM 1295 O SER A 86 -3.270 -11.015 -7.576 1.00 0.00 O ATOM 1296 CB SER A 86 -5.345 -12.234 -6.165 1.00 0.00 C ATOM 1297 OG SER A 86 -5.517 -12.908 -7.400 1.00 0.00 O ATOM 0 H SER A 86 -7.241 -10.952 -7.181 1.00 0.00 H new ATOM 0 HA SER A 86 -5.056 -10.246 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.414 -12.555 -5.698 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.152 -12.504 -5.484 1.00 0.00 H new ATOM 0 HG SER A 86 -5.525 -13.876 -7.246 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.570 -9.262 -8.137 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.688 -8.782 -9.187 1.00 0.00 C ATOM 1305 C ASP A 87 -3.433 -7.286 -9.033 1.00 0.00 C ATOM 1306 O ASP A 87 -4.369 -6.485 -9.036 1.00 0.00 O ATOM 1307 CB ASP A 87 -4.312 -9.078 -10.549 1.00 0.00 C ATOM 1308 CG ASP A 87 -3.462 -8.581 -11.701 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -2.222 -8.566 -11.560 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.038 -8.209 -12.745 1.00 0.00 O ATOM 0 H ASP A 87 -5.411 -8.700 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.731 -9.297 -9.110 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.461 -10.153 -10.650 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.296 -8.613 -10.602 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.164 -6.911 -8.892 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.796 -5.508 -8.728 1.00 0.00 C ATOM 1317 C ILE A 88 -1.703 -4.790 -10.066 1.00 0.00 C ATOM 1318 O ILE A 88 -1.495 -3.580 -10.107 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.449 -5.344 -7.996 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.467 -6.537 -8.273 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.669 -5.171 -6.505 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.934 -6.171 -8.310 1.00 0.00 C ATOM 0 H ILE A 88 -1.375 -7.558 -8.888 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.589 -5.063 -8.127 1.00 0.00 H new ATOM 0 HB ILE A 88 0.039 -4.446 -8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.308 -7.294 -7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.188 -6.987 -9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.293 -5.057 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.277 -4.284 -6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.181 -6.048 -6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.527 -7.063 -8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.106 -5.437 -9.097 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.228 -5.749 -7.349 1.00 0.00 H new ATOM 1334 N THR A 89 -1.843 -5.533 -11.158 1.00 0.00 N ATOM 1335 CA THR A 89 -1.763 -4.944 -12.490 1.00 0.00 C ATOM 1336 C THR A 89 -2.663 -3.720 -12.608 1.00 0.00 C ATOM 1337 O THR A 89 -2.233 -2.668 -13.074 1.00 0.00 O ATOM 1338 CB THR A 89 -2.147 -5.960 -13.582 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.269 -7.093 -13.528 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.076 -5.328 -14.964 1.00 0.00 C ATOM 0 H THR A 89 -2.012 -6.539 -11.148 1.00 0.00 H new ATOM 0 HA THR A 89 -0.726 -4.642 -12.637 1.00 0.00 H new ATOM 0 HB THR A 89 -3.172 -6.282 -13.399 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.423 -7.587 -12.696 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.352 -6.067 -15.717 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.764 -4.484 -15.014 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.061 -4.979 -15.153 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.918 -3.870 -12.201 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.881 -2.789 -12.277 1.00 0.00 C ATOM 1350 C ALA A 90 -4.523 -1.622 -11.354 1.00 0.00 C ATOM 1351 O ALA A 90 -4.502 -0.469 -11.785 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.273 -3.309 -11.965 1.00 0.00 C ATOM 0 H ALA A 90 -4.290 -4.737 -11.813 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.859 -2.404 -13.296 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.989 -2.490 -12.025 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.543 -4.080 -12.686 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.287 -3.731 -10.960 1.00 0.00 H new ATOM 1358 N SER A 91 -4.240 -1.921 -10.086 1.00 0.00 N ATOM 1359 CA SER A 91 -3.884 -0.884 -9.116 1.00 0.00 C ATOM 1360 C SER A 91 -2.599 -0.171 -9.512 1.00 0.00 C ATOM 1361 O SER A 91 -2.429 1.020 -9.244 1.00 0.00 O ATOM 1362 CB SER A 91 -3.726 -1.489 -7.720 1.00 0.00 C ATOM 1363 OG SER A 91 -4.533 -2.643 -7.566 1.00 0.00 O ATOM 0 H SER A 91 -4.250 -2.868 -9.707 1.00 0.00 H new ATOM 0 HA SER A 91 -4.693 -0.154 -9.104 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.681 -1.748 -7.549 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.998 -0.749 -6.967 1.00 0.00 H new ATOM 0 HG SER A 91 -4.015 -3.439 -7.808 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.697 -0.898 -10.153 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.440 -0.304 -10.569 1.00 0.00 C ATOM 1371 C VAL A 92 -0.611 0.498 -11.838 1.00 0.00 C ATOM 1372 O VAL A 92 -0.150 1.623 -11.910 1.00 0.00 O ATOM 1373 CB VAL A 92 0.689 -1.329 -10.779 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.898 -0.649 -11.422 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.072 -1.982 -9.459 1.00 0.00 C ATOM 0 H VAL A 92 -1.810 -1.883 -10.392 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.146 0.346 -9.745 1.00 0.00 H new ATOM 0 HB VAL A 92 0.334 -2.112 -11.449 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.693 -1.381 -11.567 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.610 -0.230 -12.386 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.255 0.150 -10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.871 -2.703 -9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.414 -1.218 -8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.205 -2.493 -9.041 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.265 -0.074 -12.839 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.474 0.618 -14.082 1.00 0.00 C ATOM 1387 C ASN A 93 -2.021 2.010 -13.822 1.00 0.00 C ATOM 1388 O ASN A 93 -1.586 2.995 -14.426 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.410 -0.184 -14.968 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.638 0.595 -15.400 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.662 0.593 -14.717 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.542 1.267 -16.541 1.00 0.00 N ATOM 0 H ASN A 93 -1.656 -1.015 -12.805 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.521 0.724 -14.600 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.867 -0.514 -15.854 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.726 -1.081 -14.434 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.336 1.809 -16.882 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.674 1.242 -17.076 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.965 2.084 -12.894 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.559 3.350 -12.526 1.00 0.00 C ATOM 1401 C CYS A 94 -2.508 4.262 -11.916 1.00 0.00 C ATOM 1402 O CYS A 94 -2.376 5.420 -12.311 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.712 3.147 -11.548 1.00 0.00 C ATOM 1404 SG CYS A 94 -6.011 4.411 -11.688 1.00 0.00 S ATOM 0 H CYS A 94 -3.332 1.279 -12.386 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.956 3.817 -13.427 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.152 2.164 -11.716 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.320 3.151 -10.531 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.755 3.738 -10.948 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.721 4.539 -10.309 1.00 0.00 C ATOM 1411 C ALA A 95 0.390 4.840 -11.294 1.00 0.00 C ATOM 1412 O ALA A 95 1.027 5.880 -11.216 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.174 3.865 -9.075 1.00 0.00 C ATOM 0 H ALA A 95 -1.841 2.784 -10.598 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.174 5.478 -9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.595 4.494 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.980 3.711 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.258 2.902 -9.348 1.00 0.00 H new ATOM 1419 N LYS A 96 0.601 3.931 -12.240 1.00 0.00 N ATOM 1420 CA LYS A 96 1.613 4.128 -13.258 1.00 0.00 C ATOM 1421 C LYS A 96 1.353 5.487 -13.891 1.00 0.00 C ATOM 1422 O LYS A 96 2.262 6.278 -14.159 1.00 0.00 O ATOM 1423 CB LYS A 96 1.533 3.026 -14.318 1.00 0.00 C ATOM 1424 CG LYS A 96 2.290 1.763 -13.942 1.00 0.00 C ATOM 1425 CD LYS A 96 2.045 0.647 -14.945 1.00 0.00 C ATOM 1426 CE LYS A 96 3.346 -0.003 -15.383 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.598 0.183 -16.839 1.00 0.00 N ATOM 0 H LYS A 96 0.084 3.055 -12.319 1.00 0.00 H new ATOM 0 HA LYS A 96 2.610 4.087 -12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.486 2.774 -14.490 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.928 3.409 -15.259 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.357 1.979 -13.890 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.982 1.435 -12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.392 -0.105 -14.502 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.525 1.047 -15.816 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.173 0.422 -14.814 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.315 -1.068 -15.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.143 -0.625 -17.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.691 0.244 -17.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.137 1.060 -16.989 1.00 0.00 H new ATOM 1441 N LYS A 97 0.061 5.747 -14.066 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.414 7.008 -14.611 1.00 0.00 C ATOM 1443 C LYS A 97 -0.377 8.081 -13.530 1.00 0.00 C ATOM 1444 O LYS A 97 -0.135 9.255 -13.814 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.834 6.857 -15.159 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.186 7.877 -16.230 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.067 7.286 -17.625 1.00 0.00 C ATOM 1448 CE LYS A 97 -1.774 8.357 -18.662 1.00 0.00 C ATOM 1449 NZ LYS A 97 -2.591 8.177 -19.894 1.00 0.00 N ATOM 0 H LYS A 97 -0.683 5.089 -13.834 1.00 0.00 H new ATOM 0 HA LYS A 97 0.239 7.304 -15.432 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.950 5.855 -15.572 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.543 6.947 -14.336 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.203 8.236 -16.072 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.526 8.740 -16.142 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.273 6.539 -17.638 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.993 6.772 -17.883 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.973 9.340 -18.235 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.716 8.331 -18.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.361 8.928 -20.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.382 7.250 -20.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.601 8.227 -19.651 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.599 7.664 -12.283 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.572 8.586 -11.157 1.00 0.00 C ATOM 1465 C ILE A 98 0.814 9.212 -11.025 1.00 0.00 C ATOM 1466 O ILE A 98 0.958 10.431 -10.943 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.958 7.892 -9.836 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.439 7.494 -9.865 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.674 8.808 -8.653 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.871 6.668 -8.671 1.00 0.00 C ATOM 0 H ILE A 98 -0.799 6.696 -12.032 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.310 9.364 -11.353 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.356 6.990 -9.723 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.048 8.397 -9.910 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.637 6.930 -10.777 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.952 8.304 -7.727 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.388 9.052 -8.629 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.255 9.725 -8.755 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.930 6.424 -8.761 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.289 5.747 -8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.706 7.237 -7.756 1.00 0.00 H new ATOM 1482 N VAL A 99 1.823 8.352 -11.011 1.00 0.00 N ATOM 1483 CA VAL A 99 3.209 8.775 -10.896 1.00 0.00 C ATOM 1484 C VAL A 99 3.682 9.456 -12.173 1.00 0.00 C ATOM 1485 O VAL A 99 4.618 10.254 -12.148 1.00 0.00 O ATOM 1486 CB VAL A 99 4.130 7.578 -10.591 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.186 6.632 -11.780 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.524 8.057 -10.215 1.00 0.00 C ATOM 0 H VAL A 99 1.702 7.341 -11.079 1.00 0.00 H new ATOM 0 HA VAL A 99 3.261 9.486 -10.071 1.00 0.00 H new ATOM 0 HB VAL A 99 3.718 7.034 -9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.841 5.793 -11.547 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.184 6.261 -11.997 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.573 7.163 -12.650 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.159 7.197 -10.003 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.948 8.627 -11.042 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.465 8.691 -9.330 1.00 0.00 H new ATOM 1498 N SER A 100 3.019 9.155 -13.288 1.00 0.00 N ATOM 1499 CA SER A 100 3.372 9.762 -14.565 1.00 0.00 C ATOM 1500 C SER A 100 2.667 11.103 -14.724 1.00 0.00 C ATOM 1501 O SER A 100 2.967 11.874 -15.637 1.00 0.00 O ATOM 1502 CB SER A 100 2.998 8.832 -15.721 1.00 0.00 C ATOM 1503 OG SER A 100 1.639 8.997 -16.089 1.00 0.00 O ATOM 0 H SER A 100 2.240 8.498 -13.331 1.00 0.00 H new ATOM 0 HA SER A 100 4.450 9.925 -14.584 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.638 9.038 -16.579 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.176 7.796 -15.431 1.00 0.00 H new ATOM 0 HG SER A 100 1.110 9.220 -15.295 1.00 0.00 H new ATOM 1509 N ASP A 101 1.723 11.373 -13.826 1.00 0.00 N ATOM 1510 CA ASP A 101 0.964 12.617 -13.856 1.00 0.00 C ATOM 1511 C ASP A 101 1.735 13.752 -13.187 1.00 0.00 C ATOM 1512 O ASP A 101 1.295 14.901 -13.202 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.387 12.429 -13.166 1.00 0.00 C ATOM 1514 CG ASP A 101 -1.509 13.152 -13.886 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.411 14.385 -14.051 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -2.486 12.483 -14.285 1.00 0.00 O ATOM 0 H ASP A 101 1.466 10.743 -13.066 1.00 0.00 H new ATOM 0 HA ASP A 101 0.801 12.884 -14.900 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.619 11.365 -13.112 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.322 12.794 -12.141 1.00 0.00 H new ATOM 1521 N GLY A 102 2.889 13.429 -12.607 1.00 0.00 N ATOM 1522 CA GLY A 102 3.694 14.444 -11.951 1.00 0.00 C ATOM 1523 C GLY A 102 4.043 14.092 -10.516 1.00 0.00 C ATOM 1524 O GLY A 102 5.187 14.254 -10.094 1.00 0.00 O ATOM 0 H GLY A 102 3.279 12.487 -12.580 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.614 14.591 -12.517 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.156 15.392 -11.966 1.00 0.00 H new ATOM 1528 N ASN A 103 3.056 13.616 -9.763 1.00 0.00 N ATOM 1529 CA ASN A 103 3.268 13.248 -8.366 1.00 0.00 C ATOM 1530 C ASN A 103 3.696 11.790 -8.240 1.00 0.00 C ATOM 1531 O ASN A 103 2.928 10.880 -8.551 1.00 0.00 O ATOM 1532 CB ASN A 103 1.993 13.491 -7.557 1.00 0.00 C ATOM 1533 CG ASN A 103 1.658 14.964 -7.433 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.623 15.421 -7.919 1.00 0.00 O ATOM 1535 ND2 ASN A 103 2.535 15.718 -6.780 1.00 0.00 N ATOM 0 H ASN A 103 2.102 13.476 -10.096 1.00 0.00 H new ATOM 0 HA ASN A 103 4.068 13.873 -7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.161 12.971 -8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.111 13.063 -6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.363 16.717 -6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.380 15.298 -6.393 1.00 0.00 H new ATOM 1542 N GLY A 104 4.929 11.576 -7.789 1.00 0.00 N ATOM 1543 CA GLY A 104 5.443 10.227 -7.637 1.00 0.00 C ATOM 1544 C GLY A 104 5.006 9.562 -6.346 1.00 0.00 C ATOM 1545 O GLY A 104 3.815 9.496 -6.049 1.00 0.00 O ATOM 0 H GLY A 104 5.582 12.314 -7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.111 9.622 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.532 10.254 -7.673 1.00 0.00 H new ATOM 1549 N MET A 105 5.978 9.081 -5.571 1.00 0.00 N ATOM 1550 CA MET A 105 5.702 8.424 -4.300 1.00 0.00 C ATOM 1551 C MET A 105 5.295 9.458 -3.275 1.00 0.00 C ATOM 1552 O MET A 105 4.824 9.133 -2.184 1.00 0.00 O ATOM 1553 CB MET A 105 6.941 7.679 -3.803 1.00 0.00 C ATOM 1554 CG MET A 105 7.844 7.179 -4.917 1.00 0.00 C ATOM 1555 SD MET A 105 6.996 6.067 -6.053 1.00 0.00 S ATOM 1556 CE MET A 105 6.096 5.046 -4.894 1.00 0.00 C ATOM 0 H MET A 105 6.969 9.136 -5.806 1.00 0.00 H new ATOM 0 HA MET A 105 4.893 7.707 -4.445 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.514 8.340 -3.153 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.624 6.831 -3.196 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.234 8.031 -5.473 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.700 6.663 -4.482 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.905 4.070 -5.341 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.686 4.920 -3.986 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.148 5.524 -4.647 1.00 0.00 H new ATOM 1566 N ASN A 106 5.490 10.713 -3.644 1.00 0.00 N ATOM 1567 CA ASN A 106 5.163 11.832 -2.788 1.00 0.00 C ATOM 1568 C ASN A 106 3.656 12.050 -2.722 1.00 0.00 C ATOM 1569 O ASN A 106 3.135 12.531 -1.715 1.00 0.00 O ATOM 1570 CB ASN A 106 5.860 13.080 -3.318 1.00 0.00 C ATOM 1571 CG ASN A 106 7.229 13.289 -2.701 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.364 13.952 -1.673 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.254 12.720 -3.327 1.00 0.00 N ATOM 0 H ASN A 106 5.880 10.981 -4.548 1.00 0.00 H new ATOM 0 HA ASN A 106 5.508 11.620 -1.776 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.961 13.003 -4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.238 13.952 -3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.199 12.824 -2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.096 12.179 -4.177 1.00 0.00 H new ATOM 1580 N ALA A 107 2.960 11.695 -3.800 1.00 0.00 N ATOM 1581 CA ALA A 107 1.511 11.853 -3.859 1.00 0.00 C ATOM 1582 C ALA A 107 0.843 11.189 -2.663 1.00 0.00 C ATOM 1583 O ALA A 107 -0.020 11.777 -2.012 1.00 0.00 O ATOM 1584 CB ALA A 107 0.973 11.268 -5.156 1.00 0.00 C ATOM 0 H ALA A 107 3.376 11.297 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 107 1.281 12.918 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.109 11.391 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.424 11.785 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.219 10.207 -5.206 1.00 0.00 H new ATOM 1590 N TRP A 108 1.248 9.956 -2.386 1.00 0.00 N ATOM 1591 CA TRP A 108 0.692 9.200 -1.275 1.00 0.00 C ATOM 1592 C TRP A 108 1.325 9.637 0.043 1.00 0.00 C ATOM 1593 O TRP A 108 2.530 9.874 0.125 1.00 0.00 O ATOM 1594 CB TRP A 108 0.885 7.705 -1.520 1.00 0.00 C ATOM 1595 CG TRP A 108 0.269 7.255 -2.813 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -1.044 6.953 -3.035 1.00 0.00 C ATOM 1597 CD2 TRP A 108 0.937 7.071 -4.068 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.232 6.591 -4.347 1.00 0.00 N ATOM 1599 CE2 TRP A 108 -0.031 6.652 -5.003 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.260 7.218 -4.491 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.284 6.381 -6.335 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.571 6.949 -5.810 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.588 6.535 -6.718 1.00 0.00 C ATOM 0 H TRP A 108 1.962 9.458 -2.918 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.377 9.400 -1.205 1.00 0.00 H new ATOM 0 HB2 TRP A 108 1.950 7.475 -1.528 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.444 7.144 -0.696 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.822 6.993 -2.287 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -2.122 6.320 -4.765 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.026 7.536 -3.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.473 6.062 -7.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.591 7.060 -6.147 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.866 6.333 -7.742 1.00 0.00 H new ATOM 1614 N VAL A 109 0.482 9.781 1.058 1.00 0.00 N ATOM 1615 CA VAL A 109 0.911 10.236 2.380 1.00 0.00 C ATOM 1616 C VAL A 109 1.584 9.155 3.214 1.00 0.00 C ATOM 1617 O VAL A 109 2.279 9.465 4.182 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.269 10.763 3.181 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.177 11.849 4.148 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.377 11.264 2.267 1.00 0.00 C ATOM 0 H VAL A 109 -0.517 9.587 0.991 1.00 0.00 H new ATOM 0 HA VAL A 109 1.641 11.021 2.181 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.674 9.936 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.684 12.211 4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.916 11.441 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.619 12.674 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.206 11.634 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.995 12.070 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.724 10.447 1.635 1.00 0.00 H new ATOM 1630 N ALA A 110 1.393 7.899 2.852 1.00 0.00 N ATOM 1631 CA ALA A 110 2.010 6.806 3.597 1.00 0.00 C ATOM 1632 C ALA A 110 3.500 6.744 3.313 1.00 0.00 C ATOM 1633 O ALA A 110 4.293 6.370 4.178 1.00 0.00 O ATOM 1634 CB ALA A 110 1.341 5.483 3.265 1.00 0.00 C ATOM 0 H ALA A 110 0.824 7.608 2.057 1.00 0.00 H new ATOM 0 HA ALA A 110 1.872 6.995 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.817 4.682 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.284 5.534 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.441 5.282 2.198 1.00 0.00 H new ATOM 1640 N TRP A 111 3.877 7.140 2.106 1.00 0.00 N ATOM 1641 CA TRP A 111 5.279 7.155 1.730 1.00 0.00 C ATOM 1642 C TRP A 111 5.928 8.421 2.271 1.00 0.00 C ATOM 1643 O TRP A 111 7.093 8.413 2.664 1.00 0.00 O ATOM 1644 CB TRP A 111 5.445 7.061 0.209 1.00 0.00 C ATOM 1645 CG TRP A 111 6.875 7.113 -0.238 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.700 6.050 -0.470 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.649 8.288 -0.509 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.938 6.491 -0.868 1.00 0.00 N ATOM 1649 CE2 TRP A 111 8.933 7.861 -0.899 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.381 9.658 -0.460 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 9.944 8.756 -1.238 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.387 10.546 -0.796 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.654 10.092 -1.181 1.00 0.00 C ATOM 0 H TRP A 111 3.236 7.453 1.377 1.00 0.00 H new ATOM 0 HA TRP A 111 5.773 6.285 2.163 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.996 6.132 -0.141 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.895 7.877 -0.260 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.420 5.013 -0.357 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.732 5.896 -1.102 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.406 10.017 -0.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 10.922 8.408 -1.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.192 11.608 -0.761 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.418 10.811 -1.438 1.00 0.00 H new ATOM 1664 N ARG A 112 5.159 9.508 2.318 1.00 0.00 N ATOM 1665 CA ARG A 112 5.654 10.772 2.842 1.00 0.00 C ATOM 1666 C ARG A 112 5.337 10.891 4.329 1.00 0.00 C ATOM 1667 O ARG A 112 4.853 11.925 4.791 1.00 0.00 O ATOM 1668 CB ARG A 112 5.018 11.933 2.097 1.00 0.00 C ATOM 1669 CG ARG A 112 5.900 12.522 1.008 1.00 0.00 C ATOM 1670 CD ARG A 112 6.904 13.510 1.579 1.00 0.00 C ATOM 1671 NE ARG A 112 6.802 14.822 0.944 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.356 15.925 1.437 1.00 0.00 C ATOM 1673 NH1 ARG A 112 8.049 15.876 2.567 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.218 17.080 0.800 1.00 0.00 N ATOM 0 H ARG A 112 4.191 9.535 1.998 1.00 0.00 H new ATOM 0 HA ARG A 112 6.735 10.801 2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.082 11.597 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.767 12.717 2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.429 11.720 0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.278 13.022 0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.742 13.613 2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.913 13.120 1.445 1.00 0.00 H new ATOM 0 HE ARG A 112 6.276 14.896 0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 112 8.158 14.990 3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 112 8.473 16.724 2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 112 6.686 17.123 -0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.644 17.926 1.179 1.00 0.00 H new ATOM 1688 N ASN A 113 5.622 9.836 5.068 1.00 0.00 N ATOM 1689 CA ASN A 113 5.379 9.822 6.505 1.00 0.00 C ATOM 1690 C ASN A 113 6.343 8.880 7.209 1.00 0.00 C ATOM 1691 O ASN A 113 7.099 9.289 8.090 1.00 0.00 O ATOM 1692 CB ASN A 113 3.935 9.405 6.794 1.00 0.00 C ATOM 1693 CG ASN A 113 3.497 9.776 8.198 1.00 0.00 C ATOM 1694 OD1 ASN A 113 2.941 10.851 8.423 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.747 8.886 9.151 1.00 0.00 N ATOM 0 H ASN A 113 6.023 8.974 4.700 1.00 0.00 H new ATOM 0 HA ASN A 113 5.542 10.830 6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.271 9.880 6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.836 8.328 6.658 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.476 9.081 10.115 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.210 8.007 8.919 1.00 0.00 H new ATOM 1702 N ARG A 114 6.299 7.613 6.821 1.00 0.00 N ATOM 1703 CA ARG A 114 7.156 6.601 7.422 1.00 0.00 C ATOM 1704 C ARG A 114 8.158 6.037 6.419 1.00 0.00 C ATOM 1705 O ARG A 114 8.877 5.084 6.723 1.00 0.00 O ATOM 1706 CB ARG A 114 6.300 5.470 7.983 1.00 0.00 C ATOM 1707 CG ARG A 114 5.900 5.668 9.436 1.00 0.00 C ATOM 1708 CD ARG A 114 7.080 5.469 10.373 1.00 0.00 C ATOM 1709 NE ARG A 114 7.549 4.086 10.378 1.00 0.00 N ATOM 1710 CZ ARG A 114 8.282 3.558 11.354 1.00 0.00 C ATOM 1711 NH1 ARG A 114 8.632 4.297 12.399 1.00 0.00 N ATOM 1712 NH2 ARG A 114 8.667 2.291 11.284 1.00 0.00 N ATOM 0 H ARG A 114 5.678 7.261 6.092 1.00 0.00 H new ATOM 0 HA ARG A 114 7.720 7.076 8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.399 5.374 7.377 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.848 4.532 7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.494 6.671 9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.107 4.966 9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.896 6.127 10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.793 5.758 11.384 1.00 0.00 H new ATOM 0 HE ARG A 114 7.300 3.491 9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.339 5.272 12.455 1.00 0.00 H new ATOM 0 HH12 ARG A 114 9.194 3.890 13.146 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.401 1.721 10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.229 1.887 12.033 1.00 0.00 H new ATOM 1726 N CYS A 115 8.199 6.614 5.224 1.00 0.00 N ATOM 1727 CA CYS A 115 9.115 6.142 4.190 1.00 0.00 C ATOM 1728 C CYS A 115 10.179 7.183 3.861 1.00 0.00 C ATOM 1729 O CYS A 115 11.371 6.877 3.854 1.00 0.00 O ATOM 1730 CB CYS A 115 8.338 5.768 2.929 1.00 0.00 C ATOM 1731 SG CYS A 115 7.481 4.168 3.043 1.00 0.00 S ATOM 0 H CYS A 115 7.615 7.403 4.947 1.00 0.00 H new ATOM 0 HA CYS A 115 9.623 5.259 4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.606 6.548 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.026 5.742 2.084 1.00 0.00 H new ATOM 1736 N LYS A 116 9.747 8.409 3.581 1.00 0.00 N ATOM 1737 CA LYS A 116 10.673 9.484 3.245 1.00 0.00 C ATOM 1738 C LYS A 116 11.645 9.748 4.389 1.00 0.00 C ATOM 1739 O LYS A 116 11.355 10.528 5.296 1.00 0.00 O ATOM 1740 CB LYS A 116 9.900 10.762 2.912 1.00 0.00 C ATOM 1741 CG LYS A 116 10.748 11.825 2.232 1.00 0.00 C ATOM 1742 CD LYS A 116 10.858 13.078 3.086 1.00 0.00 C ATOM 1743 CE LYS A 116 11.977 13.986 2.600 1.00 0.00 C ATOM 1744 NZ LYS A 116 13.248 13.744 3.338 1.00 0.00 N ATOM 0 H LYS A 116 8.764 8.682 3.580 1.00 0.00 H new ATOM 0 HA LYS A 116 11.248 9.174 2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.060 10.510 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.483 11.174 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.744 11.428 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.311 12.078 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.912 13.620 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.040 12.798 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.139 13.824 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.679 15.027 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.986 14.382 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.100 13.923 4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.547 12.757 3.201 1.00 0.00 H new ATOM 1758 N GLY A 117 12.803 9.097 4.337 1.00 0.00 N ATOM 1759 CA GLY A 117 13.801 9.279 5.373 1.00 0.00 C ATOM 1760 C GLY A 117 14.354 7.969 5.899 1.00 0.00 C ATOM 1761 O GLY A 117 15.119 7.958 6.863 1.00 0.00 O ATOM 0 H GLY A 117 13.067 8.447 3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.620 9.881 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.362 9.839 6.198 1.00 0.00 H new ATOM 1765 N THR A 118 13.970 6.860 5.272 1.00 0.00 N ATOM 1766 CA THR A 118 14.438 5.545 5.692 1.00 0.00 C ATOM 1767 C THR A 118 15.268 4.884 4.592 1.00 0.00 C ATOM 1768 O THR A 118 15.922 5.569 3.804 1.00 0.00 O ATOM 1769 CB THR A 118 13.261 4.623 6.063 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.353 4.518 4.960 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.523 5.153 7.284 1.00 0.00 C ATOM 0 H THR A 118 13.337 6.847 4.472 1.00 0.00 H new ATOM 0 HA THR A 118 15.061 5.693 6.574 1.00 0.00 H new ATOM 0 HB THR A 118 13.661 3.637 6.298 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.999 5.405 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.696 4.486 7.527 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.209 5.204 8.130 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.135 6.149 7.071 1.00 0.00 H new ATOM 1779 N ASP A 119 15.241 3.553 4.540 1.00 0.00 N ATOM 1780 CA ASP A 119 15.995 2.817 3.533 1.00 0.00 C ATOM 1781 C ASP A 119 15.122 1.803 2.804 1.00 0.00 C ATOM 1782 O ASP A 119 14.910 0.688 3.280 1.00 0.00 O ATOM 1783 CB ASP A 119 17.175 2.120 4.164 1.00 0.00 C ATOM 1784 CG ASP A 119 18.345 1.976 3.210 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.167 1.357 2.141 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.439 2.484 3.533 1.00 0.00 O ATOM 0 H ASP A 119 14.707 2.967 5.181 1.00 0.00 H new ATOM 0 HA ASP A 119 16.353 3.540 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.495 2.679 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.868 1.132 4.508 1.00 0.00 H new ATOM 1791 N VAL A 120 14.624 2.203 1.642 1.00 0.00 N ATOM 1792 CA VAL A 120 13.775 1.346 0.826 1.00 0.00 C ATOM 1793 C VAL A 120 14.585 0.213 0.214 1.00 0.00 C ATOM 1794 O VAL A 120 14.102 -0.913 0.093 1.00 0.00 O ATOM 1795 CB VAL A 120 13.089 2.143 -0.299 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.051 3.093 0.275 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.118 2.903 -1.123 1.00 0.00 C ATOM 0 H VAL A 120 14.796 3.125 1.240 1.00 0.00 H new ATOM 0 HA VAL A 120 13.008 0.933 1.481 1.00 0.00 H new ATOM 0 HB VAL A 120 12.580 1.439 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.577 3.647 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.295 2.523 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.535 3.791 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.613 3.460 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.659 3.597 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.820 2.198 -1.568 1.00 0.00 H new ATOM 1807 N GLN A 121 15.826 0.515 -0.159 1.00 0.00 N ATOM 1808 CA GLN A 121 16.707 -0.487 -0.741 1.00 0.00 C ATOM 1809 C GLN A 121 16.894 -1.634 0.240 1.00 0.00 C ATOM 1810 O GLN A 121 17.214 -2.759 -0.145 1.00 0.00 O ATOM 1811 CB GLN A 121 18.062 0.130 -1.095 1.00 0.00 C ATOM 1812 CG GLN A 121 18.103 0.753 -2.481 1.00 0.00 C ATOM 1813 CD GLN A 121 18.734 2.131 -2.483 1.00 0.00 C ATOM 1814 OE1 GLN A 121 18.103 3.115 -2.869 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.987 2.210 -2.049 1.00 0.00 N ATOM 0 H GLN A 121 16.241 1.442 -0.068 1.00 0.00 H new ATOM 0 HA GLN A 121 16.253 -0.867 -1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.309 0.892 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.831 -0.640 -1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.662 0.101 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.089 0.821 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.473 1.369 -1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.463 3.112 -2.027 1.00 0.00 H new ATOM 1824 N ALA A 122 16.672 -1.335 1.517 1.00 0.00 N ATOM 1825 CA ALA A 122 16.794 -2.326 2.573 1.00 0.00 C ATOM 1826 C ALA A 122 15.461 -3.027 2.805 1.00 0.00 C ATOM 1827 O ALA A 122 15.419 -4.140 3.329 1.00 0.00 O ATOM 1828 CB ALA A 122 17.284 -1.673 3.857 1.00 0.00 C ATOM 0 H ALA A 122 16.405 -0.406 1.843 1.00 0.00 H new ATOM 0 HA ALA A 122 17.525 -3.073 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.370 -2.428 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.258 -1.216 3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.574 -0.907 4.169 1.00 0.00 H new ATOM 1834 N TRP A 123 14.371 -2.368 2.412 1.00 0.00 N ATOM 1835 CA TRP A 123 13.035 -2.938 2.577 1.00 0.00 C ATOM 1836 C TRP A 123 12.893 -4.244 1.800 1.00 0.00 C ATOM 1837 O TRP A 123 11.964 -5.018 2.034 1.00 0.00 O ATOM 1838 CB TRP A 123 11.966 -1.943 2.123 1.00 0.00 C ATOM 1839 CG TRP A 123 11.484 -1.043 3.221 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.394 0.317 3.185 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.024 -1.439 4.520 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.909 0.789 4.381 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.676 -0.274 5.212 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.871 -2.664 5.166 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.187 -0.309 6.511 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.387 -2.696 6.454 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.050 -1.521 7.116 1.00 0.00 C ATOM 0 H TRP A 123 14.387 -1.444 1.980 1.00 0.00 H new ATOM 0 HA TRP A 123 12.894 -3.151 3.637 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.368 -1.333 1.314 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.118 -2.493 1.716 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.664 0.933 2.340 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.749 1.770 4.612 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.130 -3.582 4.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.922 0.601 7.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.268 -3.645 6.956 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.673 -1.570 8.127 1.00 0.00 H new ATOM 1858 N ILE A 124 13.821 -4.487 0.878 1.00 0.00 N ATOM 1859 CA ILE A 124 13.800 -5.703 0.071 1.00 0.00 C ATOM 1860 C ILE A 124 15.131 -6.442 0.168 1.00 0.00 C ATOM 1861 O ILE A 124 15.419 -7.335 -0.630 1.00 0.00 O ATOM 1862 CB ILE A 124 13.500 -5.397 -1.408 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.374 -4.243 -1.903 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.025 -5.072 -1.594 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.785 -4.377 -3.354 1.00 0.00 C ATOM 0 H ILE A 124 14.597 -3.858 0.671 1.00 0.00 H new ATOM 0 HA ILE A 124 13.003 -6.333 0.467 1.00 0.00 H new ATOM 0 HB ILE A 124 13.734 -6.282 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.833 -3.306 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.269 -4.184 -1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.829 -4.858 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.422 -5.924 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.766 -4.201 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.403 -3.525 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.353 -5.297 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 124 13.895 -4.405 -3.983 1.00 0.00 H new ATOM 1877 N ARG A 125 15.936 -6.060 1.153 1.00 0.00 N ATOM 1878 CA ARG A 125 17.240 -6.678 1.364 1.00 0.00 C ATOM 1879 C ARG A 125 17.088 -8.113 1.860 1.00 0.00 C ATOM 1880 O ARG A 125 17.039 -8.363 3.065 1.00 0.00 O ATOM 1881 CB ARG A 125 18.057 -5.863 2.368 1.00 0.00 C ATOM 1882 CG ARG A 125 19.494 -5.625 1.931 1.00 0.00 C ATOM 1883 CD ARG A 125 20.443 -5.606 3.118 1.00 0.00 C ATOM 1884 NE ARG A 125 20.960 -6.936 3.425 1.00 0.00 N ATOM 1885 CZ ARG A 125 20.818 -7.529 4.607 1.00 0.00 C ATOM 1886 NH1 ARG A 125 20.175 -6.910 5.590 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.318 -8.740 4.808 1.00 0.00 N ATOM 0 H ARG A 125 15.708 -5.323 1.820 1.00 0.00 H new ATOM 0 HA ARG A 125 17.765 -6.696 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.569 -4.901 2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.058 -6.380 3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.797 -6.406 1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.560 -4.678 1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.274 -4.934 2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.925 -5.208 3.990 1.00 0.00 H new ATOM 0 HE ARG A 125 21.459 -7.439 2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 125 19.789 -5.978 5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 125 20.067 -7.366 6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.813 -9.219 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 125 21.208 -9.193 5.715 1.00 0.00 H new ATOM 1901 N GLY A 126 17.016 -9.054 0.922 1.00 0.00 N ATOM 1902 CA GLY A 126 16.872 -10.453 1.283 1.00 0.00 C ATOM 1903 C GLY A 126 15.778 -11.148 0.497 1.00 0.00 C ATOM 1904 O GLY A 126 15.637 -12.370 0.563 1.00 0.00 O ATOM 0 H GLY A 126 17.055 -8.872 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.818 -10.967 1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.653 -10.529 2.348 1.00 0.00 H new ATOM 1908 N CYS A 127 15.000 -10.369 -0.249 1.00 0.00 N ATOM 1909 CA CYS A 127 13.913 -10.915 -1.048 1.00 0.00 C ATOM 1910 C CYS A 127 14.438 -11.626 -2.290 1.00 0.00 C ATOM 1911 O CYS A 127 15.648 -11.718 -2.500 1.00 0.00 O ATOM 1912 CB CYS A 127 12.951 -9.813 -1.441 1.00 0.00 C ATOM 1913 SG CYS A 127 11.582 -9.567 -0.264 1.00 0.00 S ATOM 0 H CYS A 127 15.104 -9.357 -0.315 1.00 0.00 H new ATOM 0 HA CYS A 127 13.386 -11.651 -0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.505 -8.879 -1.538 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.536 -10.041 -2.423 1.00 0.00 H new ATOM 1918 N ARG A 128 13.521 -12.127 -3.109 1.00 0.00 N ATOM 1919 CA ARG A 128 13.889 -12.831 -4.333 1.00 0.00 C ATOM 1920 C ARG A 128 13.013 -12.390 -5.500 1.00 0.00 C ATOM 1921 O ARG A 128 11.902 -12.887 -5.678 1.00 0.00 O ATOM 1922 CB ARG A 128 13.767 -14.343 -4.130 1.00 0.00 C ATOM 1923 CG ARG A 128 14.843 -14.926 -3.229 1.00 0.00 C ATOM 1924 CD ARG A 128 14.752 -16.442 -3.162 1.00 0.00 C ATOM 1925 NE ARG A 128 13.960 -16.892 -2.020 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.815 -18.169 -1.681 1.00 0.00 C ATOM 1927 NH1 ARG A 128 14.406 -19.120 -2.393 1.00 0.00 N ATOM 1928 NH2 ARG A 128 13.078 -18.497 -0.629 1.00 0.00 N ATOM 0 H ARG A 128 12.516 -12.059 -2.948 1.00 0.00 H new ATOM 0 HA ARG A 128 14.924 -12.584 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.789 -14.566 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.812 -14.836 -5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.826 -14.635 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.744 -14.510 -2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.308 -16.820 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 128 15.755 -16.863 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 128 13.492 -16.187 -1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.974 -18.872 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.293 -20.099 -2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.622 -17.769 -0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.967 -19.477 -0.370 1.00 0.00 H new ATOM 1942 N LEU A 129 13.523 -11.453 -6.294 1.00 0.00 N ATOM 1943 CA LEU A 129 12.788 -10.944 -7.446 1.00 0.00 C ATOM 1944 C LEU A 129 13.657 -10.965 -8.699 1.00 0.00 C ATOM 1945 O LEU A 129 13.094 -11.083 -9.807 1.00 0.00 O ATOM 1946 CB LEU A 129 12.297 -9.520 -7.176 1.00 0.00 C ATOM 1947 CG LEU A 129 13.330 -8.588 -6.541 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.853 -7.594 -7.565 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.728 -7.861 -5.348 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.894 -10.863 -8.561 1.00 0.00 O ATOM 0 H LEU A 129 14.442 -11.031 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 129 11.928 -11.593 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.965 -9.082 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.426 -9.570 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 129 14.168 -9.190 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.587 -6.939 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.322 -8.133 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.026 -6.996 -7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.476 -7.202 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.872 -7.271 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.403 -8.589 -4.604 1.00 0.00 H new TER 1962 LEU A 129