USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 974 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 31 SER OG : rot 65:sc= 0.213 USER MOD Set 1.2: B 31 SER OG : rot -152:sc= 0.22 USER MOD Set 2.1: A 46 ASN : amide:sc= 0.172 K(o=1.4,f=-3.7!) USER MOD Set 2.2: A 48 THR OG1 : rot 92:sc= 1.25 USER MOD Set 3.1: A 21 CYS SG : rot -36:sc= -4.85! USER MOD Set 3.2: B 21 CYS SG : rot -44:sc= -5.99! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.69 X(o=-0.69,f=-0.55) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0305) USER MOD Single : A 15 THR OG1 : rot 46:sc= 0.306 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -10.6! C(o=-11!,f=-30!) USER MOD Single : A 27 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.29) USER MOD Single : A 32 GLN : amide:sc= -1.46! X(o=-1.5!,f=-1.1) USER MOD Single : A 37 TYR OH : rot -121:sc= -1.31! USER MOD Single : A 38 CYS SG : rot 5:sc= -15.1! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 56 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.7!) USER MOD Single : A 58 ASN : amide:sc= -0.375 K(o=-0.37,f=-2.2!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 TYR OH : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 49:sc= 0.336 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -10.8! C(o=-11!,f=-29!) USER MOD Single : B 27 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.38) USER MOD Single : B 32 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.56) USER MOD Single : B 37 TYR OH : rot -122:sc= -2.3! USER MOD Single : B 38 CYS SG : rot -4:sc= -15.6! USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -1.17! C(o=-1.2!,f=-4.2!) USER MOD Single : B 48 THR OG1 : rot 180:sc= 0.134 USER MOD Single : B 49 SER OG : rot 180:sc= -0.171 USER MOD Single : B 50 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.18) USER MOD Single : B 52 GLN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= -0.229 USER MOD Single : B 56 ASN : amide:sc= -0.172 K(o=-0.17,f=0.53) USER MOD Single : B 58 ASN : amide:sc= 0 K(o=0,f=0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.906 -9.097 -3.582 1.00 0.00 N ATOM 2 CA MET A 1 -21.123 -8.796 -4.391 1.00 0.00 C ATOM 3 C MET A 1 -21.752 -7.479 -3.928 1.00 0.00 C ATOM 4 O MET A 1 -22.768 -7.466 -3.261 1.00 0.00 O ATOM 5 CB MET A 1 -22.071 -9.967 -4.129 1.00 0.00 C ATOM 6 CG MET A 1 -22.940 -10.209 -5.365 1.00 0.00 C ATOM 7 SD MET A 1 -24.399 -9.139 -5.298 1.00 0.00 S ATOM 8 CE MET A 1 -25.234 -9.802 -6.760 1.00 0.00 C ATOM 0 H1 MET A 1 -19.487 -9.993 -3.905 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.214 -8.330 -3.698 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.168 -9.179 -2.579 1.00 0.00 H new ATOM 0 HA MET A 1 -20.898 -8.684 -5.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.500 -10.865 -3.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.701 -9.752 -3.265 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.368 -10.005 -6.270 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.245 -11.255 -5.409 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.177 -9.276 -6.911 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.598 -9.666 -7.635 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.431 -10.864 -6.616 1.00 0.00 H new ATOM 20 N GLY A 2 -21.155 -6.371 -4.275 1.00 0.00 N ATOM 21 CA GLY A 2 -21.719 -5.056 -3.852 1.00 0.00 C ATOM 22 C GLY A 2 -22.079 -4.229 -5.089 1.00 0.00 C ATOM 23 O GLY A 2 -22.115 -4.741 -6.190 1.00 0.00 O ATOM 0 H GLY A 2 -20.302 -6.319 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.604 -5.210 -3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -20.994 -4.518 -3.241 1.00 0.00 H new ATOM 27 N PRO A 3 -22.333 -2.969 -4.861 1.00 0.00 N ATOM 28 CA PRO A 3 -22.696 -2.049 -5.969 1.00 0.00 C ATOM 29 C PRO A 3 -21.457 -1.721 -6.797 1.00 0.00 C ATOM 30 O PRO A 3 -21.487 -1.697 -8.011 1.00 0.00 O ATOM 31 CB PRO A 3 -23.182 -0.797 -5.249 1.00 0.00 C ATOM 32 CG PRO A 3 -22.493 -0.832 -3.921 1.00 0.00 C ATOM 33 CD PRO A 3 -22.309 -2.285 -3.564 1.00 0.00 C ATOM 0 HA PRO A 3 -23.438 -2.469 -6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -22.925 0.105 -5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -24.266 -0.802 -5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -21.531 -0.321 -3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -23.087 -0.320 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -21.368 -2.452 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -23.105 -2.640 -2.910 1.00 0.00 H new ATOM 41 N LEU A 4 -20.370 -1.453 -6.133 1.00 0.00 N ATOM 42 CA LEU A 4 -19.115 -1.107 -6.849 1.00 0.00 C ATOM 43 C LEU A 4 -17.913 -1.671 -6.089 1.00 0.00 C ATOM 44 O LEU A 4 -18.063 -2.374 -5.109 1.00 0.00 O ATOM 45 CB LEU A 4 -19.089 0.422 -6.836 1.00 0.00 C ATOM 46 CG LEU A 4 -18.714 0.946 -8.222 1.00 0.00 C ATOM 47 CD1 LEU A 4 -19.946 0.912 -9.129 1.00 0.00 C ATOM 48 CD2 LEU A 4 -18.212 2.387 -8.103 1.00 0.00 C ATOM 0 H LEU A 4 -20.297 -1.459 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.072 -1.514 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.065 0.809 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.371 0.776 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 4 -17.930 0.320 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -19.680 1.285 -10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -20.308 -0.113 -9.213 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -20.729 1.539 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.944 2.762 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.998 3.012 -7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.336 2.415 -7.455 1.00 0.00 H new ATOM 60 N GLN A 5 -16.722 -1.360 -6.519 1.00 0.00 N ATOM 61 CA GLN A 5 -15.525 -1.877 -5.800 1.00 0.00 C ATOM 62 C GLN A 5 -15.651 -1.560 -4.307 1.00 0.00 C ATOM 63 O GLN A 5 -15.029 -2.184 -3.471 1.00 0.00 O ATOM 64 CB GLN A 5 -14.340 -1.128 -6.409 1.00 0.00 C ATOM 65 CG GLN A 5 -13.553 -2.072 -7.322 1.00 0.00 C ATOM 66 CD GLN A 5 -13.177 -3.335 -6.548 1.00 0.00 C ATOM 67 OE1 GLN A 5 -12.347 -3.294 -5.661 1.00 0.00 O ATOM 68 NE2 GLN A 5 -13.757 -4.464 -6.847 1.00 0.00 N ATOM 0 H GLN A 5 -16.526 -0.775 -7.331 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.410 -2.957 -5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -14.693 -0.267 -6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.693 -0.746 -5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -14.151 -2.333 -8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.654 -1.576 -7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.454 -4.498 -7.591 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.514 -5.313 -6.336 1.00 0.00 H new ATOM 77 N TYR A 6 -16.457 -0.589 -3.972 1.00 0.00 N ATOM 78 CA TYR A 6 -16.635 -0.221 -2.540 1.00 0.00 C ATOM 79 C TYR A 6 -15.275 -0.107 -1.849 1.00 0.00 C ATOM 80 O TYR A 6 -14.239 -0.161 -2.483 1.00 0.00 O ATOM 81 CB TYR A 6 -17.452 -1.360 -1.932 1.00 0.00 C ATOM 82 CG TYR A 6 -18.517 -0.785 -1.031 1.00 0.00 C ATOM 83 CD1 TYR A 6 -19.727 -0.338 -1.573 1.00 0.00 C ATOM 84 CD2 TYR A 6 -18.291 -0.693 0.348 1.00 0.00 C ATOM 85 CE1 TYR A 6 -20.713 0.201 -0.737 1.00 0.00 C ATOM 86 CE2 TYR A 6 -19.276 -0.155 1.185 1.00 0.00 C ATOM 87 CZ TYR A 6 -20.487 0.292 0.641 1.00 0.00 C ATOM 88 OH TYR A 6 -21.459 0.825 1.466 1.00 0.00 O ATOM 0 H TYR A 6 -17.001 -0.033 -4.632 1.00 0.00 H new ATOM 0 HA TYR A 6 -17.132 0.742 -2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -17.910 -1.956 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -16.802 -2.027 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -19.901 -0.409 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -17.357 -1.037 0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -21.647 0.546 -1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -19.102 -0.085 2.249 1.00 0.00 H new ATOM 0 HH TYR A 6 -21.143 0.814 2.394 1.00 0.00 H new ATOM 98 N LYS A 7 -15.268 0.052 -0.555 1.00 0.00 N ATOM 99 CA LYS A 7 -13.974 0.171 0.174 1.00 0.00 C ATOM 100 C LYS A 7 -13.159 1.335 -0.399 1.00 0.00 C ATOM 101 O LYS A 7 -12.013 1.179 -0.773 1.00 0.00 O ATOM 102 CB LYS A 7 -13.260 -1.159 -0.071 1.00 0.00 C ATOM 103 CG LYS A 7 -12.832 -1.765 1.268 1.00 0.00 C ATOM 104 CD LYS A 7 -11.514 -2.520 1.090 1.00 0.00 C ATOM 105 CE LYS A 7 -10.569 -2.176 2.244 1.00 0.00 C ATOM 106 NZ LYS A 7 -10.436 -3.438 3.023 1.00 0.00 N ATOM 0 H LYS A 7 -16.102 0.105 0.030 1.00 0.00 H new ATOM 0 HA LYS A 7 -14.109 0.368 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.921 -1.847 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.388 -1.004 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.715 -0.979 2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.604 -2.441 1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.698 -3.594 1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.055 -2.253 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.601 -1.837 1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.974 -1.373 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.802 -3.281 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.372 -3.733 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.042 -4.182 2.413 1.00 0.00 H new ATOM 120 N ASP A 8 -13.747 2.500 -0.475 1.00 0.00 N ATOM 121 CA ASP A 8 -13.012 3.675 -1.028 1.00 0.00 C ATOM 122 C ASP A 8 -12.573 3.395 -2.469 1.00 0.00 C ATOM 123 O ASP A 8 -12.971 2.416 -3.068 1.00 0.00 O ATOM 124 CB ASP A 8 -11.794 3.848 -0.120 1.00 0.00 C ATOM 125 CG ASP A 8 -12.113 4.875 0.969 1.00 0.00 C ATOM 126 OD1 ASP A 8 -12.930 5.744 0.714 1.00 0.00 O ATOM 127 OD2 ASP A 8 -11.535 4.774 2.037 1.00 0.00 O ATOM 0 H ASP A 8 -14.704 2.688 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.630 4.572 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.526 2.893 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.935 4.177 -0.705 1.00 0.00 H new ATOM 132 N LEU A 9 -11.757 4.245 -3.029 1.00 0.00 N ATOM 133 CA LEU A 9 -11.297 4.022 -4.430 1.00 0.00 C ATOM 134 C LEU A 9 -10.056 3.124 -4.440 1.00 0.00 C ATOM 135 O LEU A 9 -9.725 2.497 -3.454 1.00 0.00 O ATOM 136 CB LEU A 9 -10.965 5.414 -4.967 1.00 0.00 C ATOM 137 CG LEU A 9 -12.253 6.111 -5.407 1.00 0.00 C ATOM 138 CD1 LEU A 9 -11.931 7.522 -5.898 1.00 0.00 C ATOM 139 CD2 LEU A 9 -12.904 5.315 -6.541 1.00 0.00 C ATOM 0 H LEU A 9 -11.389 5.083 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.051 3.525 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.465 6.002 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.275 5.336 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.938 6.168 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.850 8.017 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.469 8.091 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.244 7.466 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.822 5.812 -6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.217 5.256 -7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.137 4.309 -6.192 1.00 0.00 H new ATOM 151 N LYS A 10 -9.367 3.055 -5.547 1.00 0.00 N ATOM 152 CA LYS A 10 -8.151 2.194 -5.614 1.00 0.00 C ATOM 153 C LYS A 10 -6.912 3.047 -5.895 1.00 0.00 C ATOM 154 O LYS A 10 -5.923 2.567 -6.410 1.00 0.00 O ATOM 155 CB LYS A 10 -8.411 1.232 -6.774 1.00 0.00 C ATOM 156 CG LYS A 10 -8.599 2.031 -8.065 1.00 0.00 C ATOM 157 CD LYS A 10 -7.551 1.598 -9.090 1.00 0.00 C ATOM 158 CE LYS A 10 -7.721 0.109 -9.398 1.00 0.00 C ATOM 159 NZ LYS A 10 -7.705 0.020 -10.885 1.00 0.00 N ATOM 0 H LYS A 10 -9.593 3.556 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.968 1.666 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.576 0.539 -6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.299 0.633 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.601 1.869 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.505 3.098 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.657 2.183 -10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.549 1.788 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.916 -0.480 -8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.656 -0.275 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.817 -0.973 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.486 0.585 -11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.800 0.386 -11.245 1.00 0.00 H new ATOM 173 N ILE A 11 -6.957 4.308 -5.560 1.00 0.00 N ATOM 174 CA ILE A 11 -5.777 5.183 -5.813 1.00 0.00 C ATOM 175 C ILE A 11 -5.350 5.894 -4.523 1.00 0.00 C ATOM 176 O ILE A 11 -5.037 5.263 -3.533 1.00 0.00 O ATOM 177 CB ILE A 11 -6.241 6.189 -6.869 1.00 0.00 C ATOM 178 CG1 ILE A 11 -7.647 6.690 -6.531 1.00 0.00 C ATOM 179 CG2 ILE A 11 -6.251 5.522 -8.232 1.00 0.00 C ATOM 180 CD1 ILE A 11 -7.973 7.911 -7.393 1.00 0.00 C ATOM 0 H ILE A 11 -7.756 4.768 -5.124 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.910 4.616 -6.154 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.556 7.037 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.378 5.901 -6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.708 6.951 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.581 6.238 -8.985 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.246 5.177 -8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.933 4.672 -8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.974 8.269 -7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.248 8.701 -7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.929 7.635 -8.447 1.00 0.00 H new ATOM 192 N ASP A 12 -5.328 7.199 -4.530 1.00 0.00 N ATOM 193 CA ASP A 12 -4.914 7.954 -3.325 1.00 0.00 C ATOM 194 C ASP A 12 -3.721 7.268 -2.648 1.00 0.00 C ATOM 195 O ASP A 12 -2.714 7.001 -3.272 1.00 0.00 O ATOM 196 CB ASP A 12 -6.140 7.956 -2.412 1.00 0.00 C ATOM 197 CG ASP A 12 -6.015 9.091 -1.395 1.00 0.00 C ATOM 198 OD1 ASP A 12 -5.030 9.110 -0.676 1.00 0.00 O ATOM 199 OD2 ASP A 12 -6.907 9.922 -1.352 1.00 0.00 O ATOM 0 H ASP A 12 -5.583 7.776 -5.331 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.592 8.968 -3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.047 8.081 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.225 6.999 -1.897 1.00 0.00 H new ATOM 204 N ILE A 13 -3.825 6.978 -1.379 1.00 0.00 N ATOM 205 CA ILE A 13 -2.694 6.306 -0.675 1.00 0.00 C ATOM 206 C ILE A 13 -3.160 4.971 -0.090 1.00 0.00 C ATOM 207 O ILE A 13 -3.062 4.733 1.098 1.00 0.00 O ATOM 208 CB ILE A 13 -2.291 7.272 0.440 1.00 0.00 C ATOM 209 CG1 ILE A 13 -1.918 8.626 -0.167 1.00 0.00 C ATOM 210 CG2 ILE A 13 -1.088 6.705 1.196 1.00 0.00 C ATOM 211 CD1 ILE A 13 -1.738 9.654 0.951 1.00 0.00 C ATOM 0 H ILE A 13 -4.641 7.176 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.860 6.087 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.126 7.400 1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.998 8.536 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.696 8.955 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.800 7.393 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.352 5.740 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.253 6.577 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.472 10.619 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.669 9.751 1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.944 9.326 1.622 1.00 0.00 H new ATOM 223 N LYS A 14 -3.671 4.100 -0.916 1.00 0.00 N ATOM 224 CA LYS A 14 -4.152 2.781 -0.412 1.00 0.00 C ATOM 225 C LYS A 14 -3.159 2.195 0.594 1.00 0.00 C ATOM 226 O LYS A 14 -1.960 2.247 0.404 1.00 0.00 O ATOM 227 CB LYS A 14 -4.242 1.893 -1.653 1.00 0.00 C ATOM 228 CG LYS A 14 -5.708 1.558 -1.935 1.00 0.00 C ATOM 229 CD LYS A 14 -5.986 0.110 -1.529 1.00 0.00 C ATOM 230 CE LYS A 14 -7.401 -0.282 -1.959 1.00 0.00 C ATOM 231 NZ LYS A 14 -8.292 0.277 -0.905 1.00 0.00 N ATOM 0 H LYS A 14 -3.777 4.244 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.108 2.864 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.803 2.403 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.671 0.977 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.360 2.234 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.928 1.699 -2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.257 -0.555 -1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.879 -0.003 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.644 0.128 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.506 -1.365 -2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.721 -0.501 -0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.736 0.879 -0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.042 0.845 -1.349 1.00 0.00 H new ATOM 245 N THR A 15 -3.653 1.631 1.661 1.00 0.00 N ATOM 246 CA THR A 15 -2.746 1.033 2.682 1.00 0.00 C ATOM 247 C THR A 15 -2.748 -0.494 2.560 1.00 0.00 C ATOM 248 O THR A 15 -3.728 -1.142 2.867 1.00 0.00 O ATOM 249 CB THR A 15 -3.329 1.468 4.022 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.741 1.301 4.002 1.00 0.00 O ATOM 251 CG2 THR A 15 -2.979 2.937 4.275 1.00 0.00 C ATOM 0 H THR A 15 -4.648 1.558 1.871 1.00 0.00 H new ATOM 0 HA THR A 15 -1.712 1.357 2.563 1.00 0.00 H new ATOM 0 HB THR A 15 -2.910 0.857 4.821 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.961 0.421 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.395 3.250 5.233 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.896 3.055 4.294 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.397 3.553 3.479 1.00 0.00 H new ATOM 259 N SER A 16 -1.660 -1.076 2.110 1.00 0.00 N ATOM 260 CA SER A 16 -1.614 -2.565 1.972 1.00 0.00 C ATOM 261 C SER A 16 -1.811 -3.217 3.378 1.00 0.00 C ATOM 262 O SER A 16 -2.829 -2.930 3.975 1.00 0.00 O ATOM 263 CB SER A 16 -0.280 -2.848 1.279 1.00 0.00 C ATOM 264 OG SER A 16 -0.272 -2.198 0.015 1.00 0.00 O ATOM 0 H SER A 16 -0.808 -0.587 1.835 1.00 0.00 H new ATOM 0 HA SER A 16 -2.411 -3.003 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.547 -2.490 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.141 -3.922 1.152 1.00 0.00 H new ATOM 0 HG SER A 16 0.580 -2.372 -0.437 1.00 0.00 H new ATOM 270 N PRO A 17 -0.931 -4.065 3.939 1.00 0.00 N ATOM 271 CA PRO A 17 0.360 -4.566 3.426 1.00 0.00 C ATOM 272 C PRO A 17 0.251 -6.054 3.104 1.00 0.00 C ATOM 273 O PRO A 17 1.145 -6.809 3.428 1.00 0.00 O ATOM 274 CB PRO A 17 1.225 -4.466 4.678 1.00 0.00 C ATOM 275 CG PRO A 17 0.266 -4.552 5.828 1.00 0.00 C ATOM 276 CD PRO A 17 -1.100 -4.667 5.233 1.00 0.00 C ATOM 0 HA PRO A 17 0.711 -4.038 2.539 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.958 -5.272 4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.781 -3.529 4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.490 -5.414 6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.340 -3.668 6.462 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.423 -5.705 5.158 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.847 -4.143 5.829 1.00 0.00 H new ATOM 284 N PRO A 18 -0.846 -6.456 2.533 1.00 0.00 N ATOM 285 CA PRO A 18 -1.035 -7.889 2.258 1.00 0.00 C ATOM 286 C PRO A 18 0.049 -8.445 1.314 1.00 0.00 C ATOM 287 O PRO A 18 0.443 -9.583 1.474 1.00 0.00 O ATOM 288 CB PRO A 18 -2.465 -7.964 1.734 1.00 0.00 C ATOM 289 CG PRO A 18 -2.758 -6.605 1.204 1.00 0.00 C ATOM 290 CD PRO A 18 -1.991 -5.656 2.084 1.00 0.00 C ATOM 0 HA PRO A 18 -0.915 -8.530 3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.559 -8.720 0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.161 -8.236 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.446 -6.514 0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.827 -6.393 1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.671 -4.770 1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.594 -5.311 2.924 1.00 0.00 H new ATOM 298 N PRO A 19 0.568 -7.638 0.413 1.00 0.00 N ATOM 299 CA PRO A 19 1.674 -8.126 -0.438 1.00 0.00 C ATOM 300 C PRO A 19 2.945 -8.069 0.415 1.00 0.00 C ATOM 301 O PRO A 19 3.755 -7.176 0.284 1.00 0.00 O ATOM 302 CB PRO A 19 1.727 -7.130 -1.588 1.00 0.00 C ATOM 303 CG PRO A 19 1.132 -5.870 -1.042 1.00 0.00 C ATOM 304 CD PRO A 19 0.204 -6.252 0.086 1.00 0.00 C ATOM 0 HA PRO A 19 1.558 -9.143 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.752 -6.969 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.164 -7.491 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.915 -5.201 -0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.588 -5.335 -1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.334 -5.595 0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.840 -6.178 -0.217 1.00 0.00 H new ATOM 312 N GLU A 20 3.067 -8.990 1.336 1.00 0.00 N ATOM 313 CA GLU A 20 4.229 -9.008 2.288 1.00 0.00 C ATOM 314 C GLU A 20 5.598 -9.008 1.599 1.00 0.00 C ATOM 315 O GLU A 20 6.427 -9.843 1.890 1.00 0.00 O ATOM 316 CB GLU A 20 4.066 -10.305 3.089 1.00 0.00 C ATOM 317 CG GLU A 20 3.630 -11.446 2.165 1.00 0.00 C ATOM 318 CD GLU A 20 4.604 -12.617 2.303 1.00 0.00 C ATOM 319 OE1 GLU A 20 4.407 -13.425 3.195 1.00 0.00 O ATOM 320 OE2 GLU A 20 5.533 -12.685 1.514 1.00 0.00 O ATOM 0 H GLU A 20 2.398 -9.748 1.474 1.00 0.00 H new ATOM 0 HA GLU A 20 4.214 -8.104 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.007 -10.561 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.327 -10.163 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.620 -11.768 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.604 -11.101 1.131 1.00 0.00 H new ATOM 327 N CYS A 21 5.883 -8.073 0.741 1.00 0.00 N ATOM 328 CA CYS A 21 7.254 -8.067 0.137 1.00 0.00 C ATOM 329 C CYS A 21 8.230 -7.405 1.115 1.00 0.00 C ATOM 330 O CYS A 21 9.393 -7.753 1.173 1.00 0.00 O ATOM 331 CB CYS A 21 7.245 -7.334 -1.226 1.00 0.00 C ATOM 332 SG CYS A 21 5.720 -6.393 -1.511 1.00 0.00 S ATOM 0 H CYS A 21 5.253 -7.331 0.435 1.00 0.00 H new ATOM 0 HA CYS A 21 7.577 -9.092 -0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.098 -6.657 -1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.371 -8.063 -2.026 1.00 0.00 H new ATOM 0 HG CYS A 21 4.711 -7.039 -1.008 1.00 0.00 H new ATOM 338 N ILE A 22 7.764 -6.462 1.901 1.00 0.00 N ATOM 339 CA ILE A 22 8.673 -5.799 2.887 1.00 0.00 C ATOM 340 C ILE A 22 8.850 -6.689 4.102 1.00 0.00 C ATOM 341 O ILE A 22 9.944 -7.029 4.490 1.00 0.00 O ATOM 342 CB ILE A 22 7.977 -4.517 3.343 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.640 -3.573 2.180 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.888 -3.786 4.321 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.246 -4.057 0.855 1.00 0.00 C ATOM 0 H ILE A 22 6.801 -6.126 1.902 1.00 0.00 H new ATOM 0 HA ILE A 22 9.645 -5.603 2.435 1.00 0.00 H new ATOM 0 HB ILE A 22 7.036 -4.806 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.558 -3.496 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.011 -2.573 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.403 -2.869 4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.086 -4.425 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.829 -3.540 3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.983 -3.360 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.331 -4.109 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.855 -5.046 0.616 1.00 0.00 H new ATOM 357 N ASN A 23 7.777 -7.054 4.728 1.00 0.00 N ATOM 358 CA ASN A 23 7.917 -7.911 5.932 1.00 0.00 C ATOM 359 C ASN A 23 8.569 -9.232 5.538 1.00 0.00 C ATOM 360 O ASN A 23 9.532 -9.649 6.141 1.00 0.00 O ATOM 361 CB ASN A 23 6.510 -8.136 6.475 1.00 0.00 C ATOM 362 CG ASN A 23 5.710 -8.998 5.507 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.748 -8.780 4.315 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.984 -9.977 5.976 1.00 0.00 N ATOM 0 H ASN A 23 6.823 -6.803 4.467 1.00 0.00 H new ATOM 0 HA ASN A 23 8.545 -7.446 6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.561 -8.621 7.450 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.010 -7.178 6.621 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.445 -10.563 5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.956 -10.156 6.980 1.00 0.00 H new ATOM 371 N ASP A 24 8.092 -9.877 4.504 1.00 0.00 N ATOM 372 CA ASP A 24 8.736 -11.147 4.086 1.00 0.00 C ATOM 373 C ASP A 24 10.178 -10.833 3.758 1.00 0.00 C ATOM 374 O ASP A 24 11.048 -11.678 3.809 1.00 0.00 O ATOM 375 CB ASP A 24 7.984 -11.604 2.840 1.00 0.00 C ATOM 376 CG ASP A 24 8.405 -13.030 2.480 1.00 0.00 C ATOM 377 OD1 ASP A 24 7.872 -13.951 3.076 1.00 0.00 O ATOM 378 OD2 ASP A 24 9.251 -13.177 1.613 1.00 0.00 O ATOM 0 H ASP A 24 7.295 -9.580 3.941 1.00 0.00 H new ATOM 0 HA ASP A 24 8.709 -11.923 4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.909 -11.565 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.195 -10.931 2.009 1.00 0.00 H new ATOM 383 N LEU A 25 10.432 -9.596 3.446 1.00 0.00 N ATOM 384 CA LEU A 25 11.806 -9.180 3.138 1.00 0.00 C ATOM 385 C LEU A 25 12.541 -8.933 4.425 1.00 0.00 C ATOM 386 O LEU A 25 13.568 -9.508 4.724 1.00 0.00 O ATOM 387 CB LEU A 25 11.675 -7.844 2.397 1.00 0.00 C ATOM 388 CG LEU A 25 12.881 -6.918 2.709 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.872 -6.932 1.564 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.391 -5.496 2.946 1.00 0.00 C ATOM 0 H LEU A 25 9.733 -8.855 3.393 1.00 0.00 H new ATOM 0 HA LEU A 25 12.338 -9.932 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.617 -8.023 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.748 -7.351 2.689 1.00 0.00 H new ATOM 0 HG LEU A 25 13.379 -7.285 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.711 -6.277 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.237 -7.948 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.383 -6.581 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.241 -4.850 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.880 -5.134 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.701 -5.485 3.789 1.00 0.00 H new ATOM 402 N LEU A 26 12.025 -7.989 5.139 1.00 0.00 N ATOM 403 CA LEU A 26 12.652 -7.551 6.365 1.00 0.00 C ATOM 404 C LEU A 26 12.462 -8.583 7.463 1.00 0.00 C ATOM 405 O LEU A 26 12.966 -8.447 8.561 1.00 0.00 O ATOM 406 CB LEU A 26 11.942 -6.245 6.663 1.00 0.00 C ATOM 407 CG LEU A 26 12.228 -5.853 8.078 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.712 -5.551 8.190 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.416 -4.608 8.440 1.00 0.00 C ATOM 0 H LEU A 26 11.164 -7.496 4.902 1.00 0.00 H new ATOM 0 HA LEU A 26 13.732 -7.424 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.281 -5.466 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.868 -6.356 6.512 1.00 0.00 H new ATOM 0 HG LEU A 26 11.954 -6.658 8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.948 -5.262 9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.285 -6.439 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.969 -4.735 7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.626 -4.324 9.471 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.690 -3.789 7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.353 -4.823 8.332 1.00 0.00 H new ATOM 421 N GLN A 27 11.784 -9.648 7.159 1.00 0.00 N ATOM 422 CA GLN A 27 11.613 -10.710 8.152 1.00 0.00 C ATOM 423 C GLN A 27 12.978 -11.344 8.383 1.00 0.00 C ATOM 424 O GLN A 27 13.156 -12.169 9.257 1.00 0.00 O ATOM 425 CB GLN A 27 10.680 -11.697 7.482 1.00 0.00 C ATOM 426 CG GLN A 27 9.240 -11.385 7.893 1.00 0.00 C ATOM 427 CD GLN A 27 8.708 -12.475 8.825 1.00 0.00 C ATOM 428 OE1 GLN A 27 7.912 -12.205 9.702 1.00 0.00 O ATOM 429 NE2 GLN A 27 9.117 -13.700 8.670 1.00 0.00 N ATOM 0 H GLN A 27 11.342 -9.820 6.256 1.00 0.00 H new ATOM 0 HA GLN A 27 11.220 -10.371 9.111 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.783 -11.636 6.399 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.941 -12.715 7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.198 -10.417 8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.609 -11.314 7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.785 -13.925 7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.769 -14.435 9.285 1.00 0.00 H new ATOM 438 N ALA A 28 13.950 -10.979 7.573 1.00 0.00 N ATOM 439 CA ALA A 28 15.288 -11.584 7.728 1.00 0.00 C ATOM 440 C ALA A 28 16.423 -10.543 7.770 1.00 0.00 C ATOM 441 O ALA A 28 17.539 -10.890 8.106 1.00 0.00 O ATOM 442 CB ALA A 28 15.451 -12.482 6.504 1.00 0.00 C ATOM 0 H ALA A 28 13.862 -10.294 6.823 1.00 0.00 H new ATOM 0 HA ALA A 28 15.356 -12.119 8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.424 -12.973 6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.664 -13.236 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.382 -11.879 5.599 1.00 0.00 H new ATOM 448 N VAL A 29 16.208 -9.282 7.444 1.00 0.00 N ATOM 449 CA VAL A 29 17.373 -8.355 7.513 1.00 0.00 C ATOM 450 C VAL A 29 17.269 -7.472 8.739 1.00 0.00 C ATOM 451 O VAL A 29 18.037 -6.551 8.912 1.00 0.00 O ATOM 452 CB VAL A 29 17.383 -7.556 6.192 1.00 0.00 C ATOM 453 CG1 VAL A 29 15.958 -7.319 5.693 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.078 -6.206 6.396 1.00 0.00 C ATOM 0 H VAL A 29 15.320 -8.878 7.148 1.00 0.00 H new ATOM 0 HA VAL A 29 18.317 -8.890 7.616 1.00 0.00 H new ATOM 0 HB VAL A 29 17.928 -8.138 5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.988 -6.754 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.469 -8.278 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.400 -6.756 6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.079 -5.652 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.545 -5.633 7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.105 -6.371 6.721 1.00 0.00 H new ATOM 464 N ASP A 30 16.363 -7.778 9.624 1.00 0.00 N ATOM 465 CA ASP A 30 16.263 -6.971 10.863 1.00 0.00 C ATOM 466 C ASP A 30 16.340 -5.506 10.509 1.00 0.00 C ATOM 467 O ASP A 30 17.415 -4.953 10.383 1.00 0.00 O ATOM 468 CB ASP A 30 17.505 -7.366 11.640 1.00 0.00 C ATOM 469 CG ASP A 30 17.188 -8.540 12.569 1.00 0.00 C ATOM 470 OD1 ASP A 30 16.225 -8.440 13.311 1.00 0.00 O ATOM 471 OD2 ASP A 30 17.914 -9.520 12.522 1.00 0.00 O ATOM 0 H ASP A 30 15.695 -8.545 9.542 1.00 0.00 H new ATOM 0 HA ASP A 30 15.337 -7.135 11.415 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.303 -7.642 10.951 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.865 -6.518 12.222 1.00 0.00 H new ATOM 476 N SER A 31 15.247 -4.858 10.296 1.00 0.00 N ATOM 477 CA SER A 31 15.381 -3.460 9.891 1.00 0.00 C ATOM 478 C SER A 31 14.039 -2.742 10.006 1.00 0.00 C ATOM 479 O SER A 31 13.449 -2.325 9.031 1.00 0.00 O ATOM 480 CB SER A 31 15.869 -3.640 8.452 1.00 0.00 C ATOM 481 OG SER A 31 16.883 -2.697 8.175 1.00 0.00 O ATOM 0 H SER A 31 14.298 -5.223 10.382 1.00 0.00 H new ATOM 0 HA SER A 31 16.048 -2.842 10.493 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.250 -4.651 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.039 -3.512 7.757 1.00 0.00 H new ATOM 0 HG SER A 31 17.662 -2.879 8.740 1.00 0.00 H new ATOM 487 N GLN A 32 13.566 -2.598 11.215 1.00 0.00 N ATOM 488 CA GLN A 32 12.265 -1.916 11.445 1.00 0.00 C ATOM 489 C GLN A 32 12.206 -0.614 10.655 1.00 0.00 C ATOM 490 O GLN A 32 11.148 -0.118 10.352 1.00 0.00 O ATOM 491 CB GLN A 32 12.239 -1.629 12.945 1.00 0.00 C ATOM 492 CG GLN A 32 10.826 -1.839 13.484 1.00 0.00 C ATOM 493 CD GLN A 32 10.325 -0.543 14.107 1.00 0.00 C ATOM 494 OE1 GLN A 32 10.745 -0.167 15.183 1.00 0.00 O ATOM 495 NE2 GLN A 32 9.438 0.162 13.468 1.00 0.00 N ATOM 0 H GLN A 32 14.032 -2.928 12.060 1.00 0.00 H new ATOM 0 HA GLN A 32 11.416 -2.520 11.125 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.938 -2.286 13.463 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.563 -0.606 13.135 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.160 -2.150 12.679 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.823 -2.637 14.226 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.088 -0.157 12.565 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.093 1.034 13.870 1.00 0.00 H new ATOM 504 N GLU A 33 13.326 -0.061 10.296 1.00 0.00 N ATOM 505 CA GLU A 33 13.287 1.196 9.505 1.00 0.00 C ATOM 506 C GLU A 33 12.668 0.895 8.145 1.00 0.00 C ATOM 507 O GLU A 33 12.085 1.750 7.507 1.00 0.00 O ATOM 508 CB GLU A 33 14.741 1.629 9.351 1.00 0.00 C ATOM 509 CG GLU A 33 15.395 1.752 10.729 1.00 0.00 C ATOM 510 CD GLU A 33 16.442 2.868 10.700 1.00 0.00 C ATOM 511 OE1 GLU A 33 16.233 3.831 9.980 1.00 0.00 O ATOM 512 OE2 GLU A 33 17.434 2.741 11.399 1.00 0.00 O ATOM 0 H GLU A 33 14.256 -0.419 10.512 1.00 0.00 H new ATOM 0 HA GLU A 33 12.696 1.979 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.283 0.904 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.792 2.584 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.639 1.968 11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.863 0.807 11.007 1.00 0.00 H new ATOM 519 N VAL A 34 12.776 -0.330 7.709 1.00 0.00 N ATOM 520 CA VAL A 34 12.180 -0.714 6.403 1.00 0.00 C ATOM 521 C VAL A 34 10.682 -0.954 6.604 1.00 0.00 C ATOM 522 O VAL A 34 9.865 -0.537 5.808 1.00 0.00 O ATOM 523 CB VAL A 34 12.955 -1.979 5.972 1.00 0.00 C ATOM 524 CG1 VAL A 34 12.006 -3.079 5.497 1.00 0.00 C ATOM 525 CG2 VAL A 34 13.898 -1.623 4.823 1.00 0.00 C ATOM 0 H VAL A 34 13.254 -1.083 8.205 1.00 0.00 H new ATOM 0 HA VAL A 34 12.261 0.047 5.627 1.00 0.00 H new ATOM 0 HB VAL A 34 13.512 -2.345 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.583 -3.955 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.327 -3.348 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.430 -2.719 4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.448 -2.512 4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.319 -1.244 3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.601 -0.858 5.153 1.00 0.00 H new ATOM 535 N ARG A 35 10.310 -1.580 7.685 1.00 0.00 N ATOM 536 CA ARG A 35 8.863 -1.790 7.952 1.00 0.00 C ATOM 537 C ARG A 35 8.291 -0.483 8.490 1.00 0.00 C ATOM 538 O ARG A 35 7.249 -0.023 8.069 1.00 0.00 O ATOM 539 CB ARG A 35 8.818 -2.863 9.015 1.00 0.00 C ATOM 540 CG ARG A 35 8.184 -4.131 8.446 1.00 0.00 C ATOM 541 CD ARG A 35 7.351 -4.792 9.535 1.00 0.00 C ATOM 542 NE ARG A 35 6.481 -5.765 8.818 1.00 0.00 N ATOM 543 CZ ARG A 35 5.842 -6.693 9.482 1.00 0.00 C ATOM 544 NH1 ARG A 35 6.176 -6.971 10.712 1.00 0.00 N ATOM 545 NH2 ARG A 35 4.864 -7.342 8.911 1.00 0.00 N ATOM 0 H ARG A 35 10.943 -1.953 8.392 1.00 0.00 H new ATOM 0 HA ARG A 35 8.291 -2.080 7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.826 -3.078 9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.245 -2.513 9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.558 -3.888 7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.957 -4.815 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.984 -5.294 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.757 -4.057 10.078 1.00 0.00 H new ATOM 0 HE ARG A 35 6.383 -5.707 7.804 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.939 -6.464 11.160 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.674 -7.696 11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.600 -7.125 7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.363 -8.066 9.426 1.00 0.00 H new ATOM 559 N ASP A 36 9.007 0.149 9.386 1.00 0.00 N ATOM 560 CA ASP A 36 8.543 1.457 9.908 1.00 0.00 C ATOM 561 C ASP A 36 8.373 2.357 8.699 1.00 0.00 C ATOM 562 O ASP A 36 7.572 3.269 8.669 1.00 0.00 O ATOM 563 CB ASP A 36 9.673 1.969 10.804 1.00 0.00 C ATOM 564 CG ASP A 36 9.173 3.159 11.624 1.00 0.00 C ATOM 565 OD1 ASP A 36 8.382 3.924 11.098 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.590 3.285 12.764 1.00 0.00 O ATOM 0 H ASP A 36 9.888 -0.188 9.773 1.00 0.00 H new ATOM 0 HA ASP A 36 7.609 1.411 10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.014 1.174 11.467 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.528 2.266 10.196 1.00 0.00 H new ATOM 571 N TYR A 37 9.121 2.043 7.683 1.00 0.00 N ATOM 572 CA TYR A 37 9.049 2.775 6.418 1.00 0.00 C ATOM 573 C TYR A 37 7.837 2.248 5.662 1.00 0.00 C ATOM 574 O TYR A 37 6.973 2.984 5.243 1.00 0.00 O ATOM 575 CB TYR A 37 10.355 2.412 5.714 1.00 0.00 C ATOM 576 CG TYR A 37 10.146 2.494 4.232 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.518 1.437 3.576 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.515 3.643 3.532 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.249 1.520 2.220 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.260 3.729 2.163 1.00 0.00 C ATOM 581 CZ TYR A 37 9.622 2.670 1.505 1.00 0.00 C ATOM 582 OH TYR A 37 9.350 2.767 0.154 1.00 0.00 O ATOM 0 H TYR A 37 9.799 1.281 7.690 1.00 0.00 H new ATOM 0 HA TYR A 37 8.941 3.856 6.511 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.150 3.091 6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.668 1.407 5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.240 0.550 4.127 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.996 4.462 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.754 0.704 1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.554 4.610 1.612 1.00 0.00 H new ATOM 0 HH TYR A 37 10.187 2.889 -0.340 1.00 0.00 H new ATOM 592 N CYS A 38 7.768 0.959 5.519 1.00 0.00 N ATOM 593 CA CYS A 38 6.627 0.335 4.814 1.00 0.00 C ATOM 594 C CYS A 38 5.316 0.865 5.393 1.00 0.00 C ATOM 595 O CYS A 38 4.450 1.323 4.676 1.00 0.00 O ATOM 596 CB CYS A 38 6.807 -1.152 5.090 1.00 0.00 C ATOM 597 SG CYS A 38 5.723 -2.119 4.022 1.00 0.00 S ATOM 0 H CYS A 38 8.467 0.303 5.867 1.00 0.00 H new ATOM 0 HA CYS A 38 6.595 0.549 3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.845 -1.438 4.921 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.584 -1.365 6.135 1.00 0.00 H new ATOM 0 HG CYS A 38 5.107 -1.326 3.197 1.00 0.00 H new ATOM 603 N GLU A 39 5.174 0.844 6.686 1.00 0.00 N ATOM 604 CA GLU A 39 3.939 1.387 7.295 1.00 0.00 C ATOM 605 C GLU A 39 3.997 2.906 7.204 1.00 0.00 C ATOM 606 O GLU A 39 3.013 3.588 7.411 1.00 0.00 O ATOM 607 CB GLU A 39 3.980 0.934 8.749 1.00 0.00 C ATOM 608 CG GLU A 39 5.294 1.403 9.367 1.00 0.00 C ATOM 609 CD GLU A 39 5.011 2.467 10.429 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.373 2.136 11.414 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.437 3.594 10.238 1.00 0.00 O ATOM 0 H GLU A 39 5.860 0.474 7.344 1.00 0.00 H new ATOM 0 HA GLU A 39 3.026 1.049 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.134 1.348 9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.899 -0.151 8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.819 0.559 9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.946 1.810 8.594 1.00 0.00 H new ATOM 618 N LYS A 40 5.135 3.444 6.832 1.00 0.00 N ATOM 619 CA LYS A 40 5.212 4.909 6.667 1.00 0.00 C ATOM 620 C LYS A 40 4.749 5.171 5.259 1.00 0.00 C ATOM 621 O LYS A 40 4.123 6.162 4.940 1.00 0.00 O ATOM 622 CB LYS A 40 6.680 5.312 6.803 1.00 0.00 C ATOM 623 CG LYS A 40 6.824 6.774 6.389 1.00 0.00 C ATOM 624 CD LYS A 40 8.260 7.233 6.627 1.00 0.00 C ATOM 625 CE LYS A 40 8.247 8.650 7.199 1.00 0.00 C ATOM 626 NZ LYS A 40 9.672 8.963 7.498 1.00 0.00 N ATOM 0 H LYS A 40 5.996 2.931 6.641 1.00 0.00 H new ATOM 0 HA LYS A 40 4.616 5.459 7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.016 5.175 7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.306 4.678 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.563 6.892 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.134 7.394 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.762 6.554 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.821 7.210 5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.830 9.359 6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.634 8.706 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.741 9.922 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.041 8.276 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.230 8.910 6.622 1.00 0.00 H new ATOM 640 N LYS A 41 5.062 4.231 4.419 1.00 0.00 N ATOM 641 CA LYS A 41 4.672 4.306 3.012 1.00 0.00 C ATOM 642 C LYS A 41 3.179 4.164 2.946 1.00 0.00 C ATOM 643 O LYS A 41 2.450 5.016 2.480 1.00 0.00 O ATOM 644 CB LYS A 41 5.271 3.067 2.390 1.00 0.00 C ATOM 645 CG LYS A 41 6.765 2.953 2.598 1.00 0.00 C ATOM 646 CD LYS A 41 7.386 4.315 2.860 1.00 0.00 C ATOM 647 CE LYS A 41 7.607 5.023 1.531 1.00 0.00 C ATOM 648 NZ LYS A 41 7.891 6.442 1.888 1.00 0.00 N ATOM 0 H LYS A 41 5.588 3.393 4.669 1.00 0.00 H new ATOM 0 HA LYS A 41 4.989 5.230 2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.785 2.187 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.059 3.068 1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.969 2.289 3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.225 2.503 1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.733 4.910 3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.333 4.202 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.439 4.581 0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.727 4.946 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.054 6.992 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.080 6.840 2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.738 6.486 2.490 1.00 0.00 H new ATOM 662 N GLY A 42 2.740 3.060 3.462 1.00 0.00 N ATOM 663 CA GLY A 42 1.300 2.779 3.507 1.00 0.00 C ATOM 664 C GLY A 42 0.975 1.329 3.158 1.00 0.00 C ATOM 665 O GLY A 42 0.168 1.046 2.300 1.00 0.00 O ATOM 0 H GLY A 42 3.333 2.332 3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.921 3.003 4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.782 3.441 2.813 1.00 0.00 H new ATOM 669 N TRP A 43 1.550 0.412 3.873 1.00 0.00 N ATOM 670 CA TRP A 43 1.212 -1.023 3.663 1.00 0.00 C ATOM 671 C TRP A 43 0.808 -1.481 5.001 1.00 0.00 C ATOM 672 O TRP A 43 -0.227 -2.070 5.240 1.00 0.00 O ATOM 673 CB TRP A 43 2.432 -1.865 3.311 1.00 0.00 C ATOM 674 CG TRP A 43 3.407 -1.177 2.435 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.644 0.136 2.439 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.349 -1.747 1.471 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.607 0.411 1.553 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.098 -0.687 0.940 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.629 -3.043 1.004 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.090 -0.867 0.005 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.634 -3.244 0.050 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.374 -2.158 -0.448 1.00 0.00 C ATOM 0 H TRP A 43 2.244 0.591 4.599 1.00 0.00 H new ATOM 0 HA TRP A 43 0.478 -1.120 2.864 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.933 -2.162 4.232 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.100 -2.779 2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.138 0.861 3.059 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.938 1.356 1.360 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.068 -3.885 1.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.643 -0.021 -0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.842 -4.242 -0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.156 -2.320 -1.175 1.00 0.00 H new ATOM 693 N ILE A 44 1.674 -1.121 5.886 1.00 0.00 N ATOM 694 CA ILE A 44 1.524 -1.385 7.316 1.00 0.00 C ATOM 695 C ILE A 44 1.989 -2.782 7.661 1.00 0.00 C ATOM 696 O ILE A 44 1.709 -3.303 8.722 1.00 0.00 O ATOM 697 CB ILE A 44 0.058 -1.243 7.640 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.538 -0.048 6.905 1.00 0.00 C ATOM 699 CG2 ILE A 44 -0.076 -1.031 9.145 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.940 -0.417 6.430 1.00 0.00 C ATOM 0 H ILE A 44 2.533 -0.623 5.652 1.00 0.00 H new ATOM 0 HA ILE A 44 2.129 -0.686 7.893 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.476 -2.140 7.327 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.578 0.819 7.564 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.089 0.225 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.129 -0.925 9.405 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.344 -1.888 9.672 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.462 -0.128 9.435 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.380 0.429 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.883 -1.274 5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.561 -0.670 7.290 1.00 0.00 H new ATOM 712 N VAL A 45 2.668 -3.377 6.748 1.00 0.00 N ATOM 713 CA VAL A 45 3.174 -4.763 6.928 1.00 0.00 C ATOM 714 C VAL A 45 3.404 -5.085 8.410 1.00 0.00 C ATOM 715 O VAL A 45 4.361 -4.645 9.013 1.00 0.00 O ATOM 716 CB VAL A 45 4.485 -4.774 6.158 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.206 -4.731 4.653 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.330 -3.563 6.566 1.00 0.00 C ATOM 0 H VAL A 45 2.907 -2.955 5.851 1.00 0.00 H new ATOM 0 HA VAL A 45 2.469 -5.514 6.572 1.00 0.00 H new ATOM 0 HB VAL A 45 5.031 -5.688 6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.150 -4.739 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.614 -5.601 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.655 -3.822 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.269 -3.572 6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.785 -2.646 6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.538 -3.608 7.635 1.00 0.00 H new ATOM 728 N ASN A 46 2.521 -5.844 9.002 1.00 0.00 N ATOM 729 CA ASN A 46 2.674 -6.191 10.444 1.00 0.00 C ATOM 730 C ASN A 46 1.689 -7.303 10.822 1.00 0.00 C ATOM 731 O ASN A 46 0.525 -7.252 10.478 1.00 0.00 O ATOM 732 CB ASN A 46 2.348 -4.899 11.196 1.00 0.00 C ATOM 733 CG ASN A 46 2.158 -5.201 12.682 1.00 0.00 C ATOM 734 OD1 ASN A 46 2.734 -6.134 13.205 1.00 0.00 O ATOM 735 ND2 ASN A 46 1.369 -4.439 13.390 1.00 0.00 N ATOM 0 H ASN A 46 1.698 -6.240 8.547 1.00 0.00 H new ATOM 0 HA ASN A 46 3.672 -6.557 10.683 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.153 -4.176 11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.443 -4.448 10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.236 -4.627 14.384 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.886 -3.656 12.949 1.00 0.00 H new ATOM 742 N ILE A 47 2.142 -8.308 11.523 1.00 0.00 N ATOM 743 CA ILE A 47 1.221 -9.416 11.912 1.00 0.00 C ATOM 744 C ILE A 47 0.989 -9.410 13.425 1.00 0.00 C ATOM 745 O ILE A 47 0.927 -10.446 14.058 1.00 0.00 O ATOM 746 CB ILE A 47 1.934 -10.699 11.484 1.00 0.00 C ATOM 747 CG1 ILE A 47 0.950 -11.872 11.542 1.00 0.00 C ATOM 748 CG2 ILE A 47 3.107 -10.972 12.428 1.00 0.00 C ATOM 749 CD1 ILE A 47 1.456 -13.009 10.654 1.00 0.00 C ATOM 0 H ILE A 47 3.105 -8.410 11.842 1.00 0.00 H new ATOM 0 HA ILE A 47 0.242 -9.319 11.442 1.00 0.00 H new ATOM 0 HB ILE A 47 2.306 -10.585 10.466 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.843 -12.220 12.570 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.037 -11.549 11.210 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.615 -11.887 12.122 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.807 -10.138 12.389 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.736 -11.086 13.446 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.755 -13.843 10.696 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.541 -12.658 9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.433 -13.338 11.006 1.00 0.00 H new ATOM 761 N THR A 48 0.855 -8.250 14.009 1.00 0.00 N ATOM 762 CA THR A 48 0.622 -8.176 15.480 1.00 0.00 C ATOM 763 C THR A 48 -0.687 -7.433 15.759 1.00 0.00 C ATOM 764 O THR A 48 -0.702 -6.235 15.967 1.00 0.00 O ATOM 765 CB THR A 48 1.816 -7.395 16.033 1.00 0.00 C ATOM 766 OG1 THR A 48 2.993 -7.785 15.340 1.00 0.00 O ATOM 767 CG2 THR A 48 1.977 -7.690 17.526 1.00 0.00 C ATOM 0 H THR A 48 0.897 -7.350 13.531 1.00 0.00 H new ATOM 0 HA THR A 48 0.537 -9.160 15.941 1.00 0.00 H new ATOM 0 HB THR A 48 1.648 -6.327 15.895 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.136 -7.188 14.576 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.828 -7.133 17.917 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.073 -7.391 18.056 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.145 -8.757 17.670 1.00 0.00 H new ATOM 775 N SER A 49 -1.787 -8.134 15.756 1.00 0.00 N ATOM 776 CA SER A 49 -3.098 -7.471 16.012 1.00 0.00 C ATOM 777 C SER A 49 -3.022 -6.599 17.267 1.00 0.00 C ATOM 778 O SER A 49 -2.739 -7.073 18.348 1.00 0.00 O ATOM 779 CB SER A 49 -4.088 -8.618 16.213 1.00 0.00 C ATOM 780 OG SER A 49 -4.310 -9.270 14.970 1.00 0.00 O ATOM 0 H SER A 49 -1.835 -9.139 15.587 1.00 0.00 H new ATOM 0 HA SER A 49 -3.393 -6.815 15.193 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.698 -9.326 16.944 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.029 -8.236 16.610 1.00 0.00 H new ATOM 0 HG SER A 49 -4.943 -10.007 15.096 1.00 0.00 H new ATOM 786 N GLN A 50 -3.281 -5.326 17.132 1.00 0.00 N ATOM 787 CA GLN A 50 -3.231 -4.421 18.318 1.00 0.00 C ATOM 788 C GLN A 50 -1.793 -4.286 18.829 1.00 0.00 C ATOM 789 O GLN A 50 -1.272 -5.166 19.484 1.00 0.00 O ATOM 790 CB GLN A 50 -4.115 -5.097 19.368 1.00 0.00 C ATOM 791 CG GLN A 50 -4.760 -4.031 20.254 1.00 0.00 C ATOM 792 CD GLN A 50 -6.053 -4.585 20.858 1.00 0.00 C ATOM 793 OE1 GLN A 50 -6.080 -4.980 22.007 1.00 0.00 O ATOM 794 NE2 GLN A 50 -7.133 -4.631 20.128 1.00 0.00 N ATOM 0 H GLN A 50 -3.525 -4.873 16.251 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.574 -3.414 18.082 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.885 -5.694 18.880 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.520 -5.779 19.976 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.072 -3.737 21.047 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.973 -3.136 19.669 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.111 -4.300 19.164 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.999 -4.998 20.522 1.00 0.00 H new ATOM 803 N VAL A 51 -1.149 -3.187 18.537 1.00 0.00 N ATOM 804 CA VAL A 51 0.253 -2.992 19.009 1.00 0.00 C ATOM 805 C VAL A 51 0.383 -1.660 19.752 1.00 0.00 C ATOM 806 O VAL A 51 -0.010 -0.621 19.259 1.00 0.00 O ATOM 807 CB VAL A 51 1.106 -2.979 17.739 1.00 0.00 C ATOM 808 CG1 VAL A 51 2.544 -2.594 18.096 1.00 0.00 C ATOM 809 CG2 VAL A 51 1.094 -4.370 17.103 1.00 0.00 C ATOM 0 H VAL A 51 -1.534 -2.416 17.992 1.00 0.00 H new ATOM 0 HA VAL A 51 0.564 -3.775 19.701 1.00 0.00 H new ATOM 0 HB VAL A 51 0.699 -2.254 17.034 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.153 -2.584 17.192 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.553 -1.603 18.550 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.951 -3.320 18.800 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.702 -4.362 16.198 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.502 -5.095 17.807 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.070 -4.646 16.850 1.00 0.00 H new ATOM 819 N GLN A 52 0.933 -1.683 20.934 1.00 0.00 N ATOM 820 CA GLN A 52 1.089 -0.418 21.709 1.00 0.00 C ATOM 821 C GLN A 52 2.410 0.268 21.348 1.00 0.00 C ATOM 822 O GLN A 52 3.110 0.774 22.202 1.00 0.00 O ATOM 823 CB GLN A 52 1.094 -0.849 23.174 1.00 0.00 C ATOM 824 CG GLN A 52 2.328 -1.709 23.437 1.00 0.00 C ATOM 825 CD GLN A 52 2.603 -1.769 24.940 1.00 0.00 C ATOM 826 OE1 GLN A 52 3.223 -0.882 25.492 1.00 0.00 O ATOM 827 NE2 GLN A 52 2.167 -2.787 25.631 1.00 0.00 N ATOM 0 H GLN A 52 1.281 -2.522 21.398 1.00 0.00 H new ATOM 0 HA GLN A 52 0.293 0.296 21.496 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.100 0.026 23.824 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.188 -1.410 23.404 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.173 -2.714 23.045 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.191 -1.294 22.916 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.646 -3.532 25.168 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.347 -2.837 26.634 1.00 0.00 H new ATOM 836 N THR A 53 2.757 0.289 20.089 1.00 0.00 N ATOM 837 CA THR A 53 4.033 0.945 19.683 1.00 0.00 C ATOM 838 C THR A 53 4.178 2.294 20.392 1.00 0.00 C ATOM 839 O THR A 53 3.554 3.269 20.026 1.00 0.00 O ATOM 840 CB THR A 53 3.925 1.145 18.167 1.00 0.00 C ATOM 841 OG1 THR A 53 2.656 0.693 17.713 1.00 0.00 O ATOM 842 CG2 THR A 53 5.031 0.353 17.467 1.00 0.00 C ATOM 0 H THR A 53 2.214 -0.118 19.327 1.00 0.00 H new ATOM 0 HA THR A 53 4.904 0.346 19.949 1.00 0.00 H new ATOM 0 HB THR A 53 4.034 2.204 17.935 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.590 0.824 16.744 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.954 0.495 16.389 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.004 0.705 17.811 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.924 -0.706 17.702 1.00 0.00 H new ATOM 850 N GLU A 54 4.996 2.354 21.407 1.00 0.00 N ATOM 851 CA GLU A 54 5.180 3.637 22.144 1.00 0.00 C ATOM 852 C GLU A 54 6.518 3.624 22.886 1.00 0.00 C ATOM 853 O GLU A 54 6.716 2.867 23.815 1.00 0.00 O ATOM 854 CB GLU A 54 4.014 3.692 23.133 1.00 0.00 C ATOM 855 CG GLU A 54 3.995 5.055 23.827 1.00 0.00 C ATOM 856 CD GLU A 54 4.091 6.165 22.779 1.00 0.00 C ATOM 857 OE1 GLU A 54 3.199 6.251 21.953 1.00 0.00 O ATOM 858 OE2 GLU A 54 5.058 6.909 22.820 1.00 0.00 O ATOM 0 H GLU A 54 5.545 1.570 21.758 1.00 0.00 H new ATOM 0 HA GLU A 54 5.191 4.503 21.482 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.072 3.525 22.610 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.113 2.897 23.872 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.079 5.167 24.407 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.827 5.129 24.528 1.00 0.00 H new ATOM 865 N ARG A 55 7.441 4.451 22.479 1.00 0.00 N ATOM 866 CA ARG A 55 8.768 4.478 23.159 1.00 0.00 C ATOM 867 C ARG A 55 9.011 5.846 23.802 1.00 0.00 C ATOM 868 O ARG A 55 9.974 6.044 24.516 1.00 0.00 O ATOM 869 CB ARG A 55 9.787 4.222 22.047 1.00 0.00 C ATOM 870 CG ARG A 55 9.294 3.080 21.154 1.00 0.00 C ATOM 871 CD ARG A 55 10.476 2.190 20.763 1.00 0.00 C ATOM 872 NE ARG A 55 11.120 2.889 19.616 1.00 0.00 N ATOM 873 CZ ARG A 55 11.043 2.381 18.417 1.00 0.00 C ATOM 874 NH1 ARG A 55 11.060 1.087 18.255 1.00 0.00 N ATOM 875 NH2 ARG A 55 10.945 3.167 17.379 1.00 0.00 N ATOM 0 H ARG A 55 7.335 5.108 21.706 1.00 0.00 H new ATOM 0 HA ARG A 55 8.836 3.738 23.956 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.929 5.126 21.454 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.755 3.968 22.478 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.541 2.493 21.679 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.817 3.483 20.260 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.172 2.070 21.593 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.142 1.192 20.480 1.00 0.00 H new ATOM 0 HE ARG A 55 11.621 3.764 19.768 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.133 0.472 19.066 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.000 0.690 17.318 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.929 4.179 17.505 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.885 2.769 16.442 1.00 0.00 H new ATOM 889 N ASN A 56 8.149 6.792 23.554 1.00 0.00 N ATOM 890 CA ASN A 56 8.335 8.146 24.151 1.00 0.00 C ATOM 891 C ASN A 56 7.083 8.560 24.929 1.00 0.00 C ATOM 892 O ASN A 56 5.972 8.251 24.547 1.00 0.00 O ATOM 893 CB ASN A 56 8.555 9.076 22.958 1.00 0.00 C ATOM 894 CG ASN A 56 9.938 9.722 23.062 1.00 0.00 C ATOM 895 OD1 ASN A 56 10.457 9.903 24.146 1.00 0.00 O ATOM 896 ND2 ASN A 56 10.561 10.082 21.973 1.00 0.00 N ATOM 0 H ASN A 56 7.324 6.687 22.964 1.00 0.00 H new ATOM 0 HA ASN A 56 9.168 8.176 24.853 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.473 8.516 22.027 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.783 9.845 22.936 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.483 10.515 22.032 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.126 9.930 21.063 1.00 0.00 H new ATOM 903 N ILE A 57 7.255 9.260 26.016 1.00 0.00 N ATOM 904 CA ILE A 57 6.075 9.694 26.818 1.00 0.00 C ATOM 905 C ILE A 57 5.275 8.476 27.289 1.00 0.00 C ATOM 906 O ILE A 57 4.382 8.007 26.610 1.00 0.00 O ATOM 907 CB ILE A 57 5.241 10.545 25.860 1.00 0.00 C ATOM 908 CG1 ILE A 57 6.142 11.582 25.186 1.00 0.00 C ATOM 909 CG2 ILE A 57 4.137 11.258 26.642 1.00 0.00 C ATOM 910 CD1 ILE A 57 6.990 12.290 26.244 1.00 0.00 C ATOM 0 H ILE A 57 8.161 9.551 26.384 1.00 0.00 H new ATOM 0 HA ILE A 57 6.364 10.247 27.712 1.00 0.00 H new ATOM 0 HB ILE A 57 4.792 9.905 25.100 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.787 11.097 24.453 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.536 12.309 24.645 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.542 11.865 25.960 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.496 10.519 27.123 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.585 11.899 27.401 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.631 13.028 25.762 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.337 12.789 26.960 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.607 11.558 26.765 1.00 0.00 H new ATOM 922 N ASN A 58 5.585 7.962 28.448 1.00 0.00 N ATOM 923 CA ASN A 58 4.841 6.776 28.962 1.00 0.00 C ATOM 924 C ASN A 58 4.350 7.041 30.387 1.00 0.00 C ATOM 925 O ASN A 58 3.164 7.084 30.646 1.00 0.00 O ATOM 926 CB ASN A 58 5.856 5.633 28.946 1.00 0.00 C ATOM 927 CG ASN A 58 6.175 5.255 27.499 1.00 0.00 C ATOM 928 OD1 ASN A 58 5.340 4.712 26.803 1.00 0.00 O ATOM 929 ND2 ASN A 58 7.356 5.520 27.014 1.00 0.00 N ATOM 0 H ASN A 58 6.321 8.312 29.061 1.00 0.00 H new ATOM 0 HA ASN A 58 3.962 6.546 28.360 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.767 5.934 29.464 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.457 4.770 29.479 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.579 5.271 26.050 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.057 5.976 27.598 1.00 0.00 H new ATOM 936 N ARG A 59 5.252 7.219 31.311 1.00 0.00 N ATOM 937 CA ARG A 59 4.836 7.482 32.717 1.00 0.00 C ATOM 938 C ARG A 59 5.883 8.348 33.424 1.00 0.00 C ATOM 939 O ARG A 59 7.006 8.471 32.977 1.00 0.00 O ATOM 940 CB ARG A 59 4.749 6.103 33.372 1.00 0.00 C ATOM 941 CG ARG A 59 3.320 5.858 33.859 1.00 0.00 C ATOM 942 CD ARG A 59 2.897 4.428 33.512 1.00 0.00 C ATOM 943 NE ARG A 59 3.013 3.674 34.791 1.00 0.00 N ATOM 944 CZ ARG A 59 2.298 2.599 34.979 1.00 0.00 C ATOM 945 NH1 ARG A 59 2.496 1.545 34.236 1.00 0.00 N ATOM 946 NH2 ARG A 59 1.385 2.577 35.911 1.00 0.00 N ATOM 0 H ARG A 59 6.259 7.194 31.154 1.00 0.00 H new ATOM 0 HA ARG A 59 3.889 8.018 32.773 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.039 5.331 32.659 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.445 6.042 34.209 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.260 6.014 34.936 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.640 6.572 33.395 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.877 4.400 33.128 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.540 4.001 32.742 1.00 0.00 H new ATOM 0 HE ARG A 59 3.650 3.997 35.519 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.210 1.561 33.508 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.937 0.705 34.383 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.230 3.400 36.493 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.826 1.736 36.058 1.00 0.00 H new ATOM 960 N ALA A 60 5.522 8.951 34.523 1.00 0.00 N ATOM 961 CA ALA A 60 6.497 9.809 35.258 1.00 0.00 C ATOM 962 C ALA A 60 7.150 9.016 36.393 1.00 0.00 C ATOM 963 O ALA A 60 6.617 7.978 36.748 1.00 0.00 O ATOM 964 CB ALA A 60 5.665 10.961 35.820 1.00 0.00 C ATOM 965 OXT ALA A 60 8.172 9.462 36.888 1.00 0.00 O ATOM 0 H ALA A 60 4.595 8.888 34.944 1.00 0.00 H new ATOM 0 HA ALA A 60 7.302 10.163 34.614 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.312 11.639 36.376 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.192 11.502 35.000 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.897 10.565 36.485 1.00 0.00 H new TER 971 ALA A 60 ATOM 972 N MET B 1 0.485 -10.779 -34.361 1.00 0.00 N ATOM 973 CA MET B 1 0.704 -12.023 -33.568 1.00 0.00 C ATOM 974 C MET B 1 1.852 -11.823 -32.575 1.00 0.00 C ATOM 975 O MET B 1 1.647 -11.428 -31.445 1.00 0.00 O ATOM 976 CB MET B 1 1.065 -13.093 -34.600 1.00 0.00 C ATOM 977 CG MET B 1 -0.191 -13.876 -34.986 1.00 0.00 C ATOM 978 SD MET B 1 -0.108 -14.326 -36.737 1.00 0.00 S ATOM 979 CE MET B 1 -0.985 -12.882 -37.383 1.00 0.00 C ATOM 0 H1 MET B 1 -0.296 -10.927 -35.031 1.00 0.00 H new ATOM 0 H2 MET B 1 0.247 -9.996 -33.720 1.00 0.00 H new ATOM 0 H3 MET B 1 1.352 -10.545 -34.886 1.00 0.00 H new ATOM 0 HA MET B 1 -0.174 -12.301 -32.984 1.00 0.00 H new ATOM 0 HB2 MET B 1 1.502 -12.628 -35.484 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.816 -13.769 -34.191 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.276 -14.773 -34.373 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.080 -13.275 -34.796 1.00 0.00 H new ATOM 0 HE1 MET B 1 -1.051 -12.952 -38.469 1.00 0.00 H new ATOM 0 HE2 MET B 1 -1.989 -12.847 -36.960 1.00 0.00 H new ATOM 0 HE3 MET B 1 -0.444 -11.976 -37.110 1.00 0.00 H new ATOM 991 N GLY B 2 3.060 -12.094 -32.989 1.00 0.00 N ATOM 992 CA GLY B 2 4.219 -11.920 -32.069 1.00 0.00 C ATOM 993 C GLY B 2 5.381 -12.800 -32.533 1.00 0.00 C ATOM 994 O GLY B 2 5.538 -13.051 -33.712 1.00 0.00 O ATOM 0 H GLY B 2 3.294 -12.428 -33.924 1.00 0.00 H new ATOM 0 HA2 GLY B 2 4.527 -10.875 -32.050 1.00 0.00 H new ATOM 0 HA3 GLY B 2 3.932 -12.186 -31.052 1.00 0.00 H new ATOM 998 N PRO B 3 6.160 -13.239 -31.583 1.00 0.00 N ATOM 999 CA PRO B 3 7.327 -14.102 -31.887 1.00 0.00 C ATOM 1000 C PRO B 3 6.858 -15.525 -32.191 1.00 0.00 C ATOM 1001 O PRO B 3 7.357 -16.184 -33.081 1.00 0.00 O ATOM 1002 CB PRO B 3 8.122 -14.099 -30.588 1.00 0.00 C ATOM 1003 CG PRO B 3 7.107 -13.827 -29.525 1.00 0.00 C ATOM 1004 CD PRO B 3 6.031 -12.974 -30.147 1.00 0.00 C ATOM 0 HA PRO B 3 7.899 -13.755 -32.747 1.00 0.00 H new ATOM 0 HB2 PRO B 3 8.620 -15.055 -30.426 1.00 0.00 H new ATOM 0 HB3 PRO B 3 8.898 -13.334 -30.600 1.00 0.00 H new ATOM 0 HG2 PRO B 3 6.688 -14.759 -29.145 1.00 0.00 H new ATOM 0 HG3 PRO B 3 7.564 -13.314 -28.679 1.00 0.00 H new ATOM 0 HD2 PRO B 3 5.042 -13.245 -29.778 1.00 0.00 H new ATOM 0 HD3 PRO B 3 6.177 -11.918 -29.921 1.00 0.00 H new ATOM 1012 N LEU B 4 5.913 -16.002 -31.431 1.00 0.00 N ATOM 1013 CA LEU B 4 5.412 -17.387 -31.636 1.00 0.00 C ATOM 1014 C LEU B 4 4.001 -17.523 -31.064 1.00 0.00 C ATOM 1015 O LEU B 4 3.336 -16.546 -30.787 1.00 0.00 O ATOM 1016 CB LEU B 4 6.382 -18.255 -30.839 1.00 0.00 C ATOM 1017 CG LEU B 4 6.777 -19.480 -31.667 1.00 0.00 C ATOM 1018 CD1 LEU B 4 8.248 -19.373 -32.070 1.00 0.00 C ATOM 1019 CD2 LEU B 4 6.569 -20.746 -30.833 1.00 0.00 C ATOM 0 H LEU B 4 5.464 -15.488 -30.673 1.00 0.00 H new ATOM 0 HA LEU B 4 5.362 -17.666 -32.689 1.00 0.00 H new ATOM 0 HB2 LEU B 4 7.270 -17.679 -30.577 1.00 0.00 H new ATOM 0 HB3 LEU B 4 5.919 -18.570 -29.904 1.00 0.00 H new ATOM 0 HG LEU B 4 6.158 -19.527 -32.563 1.00 0.00 H new ATOM 0 HD11 LEU B 4 8.528 -20.246 -32.660 1.00 0.00 H new ATOM 0 HD12 LEU B 4 8.398 -18.471 -32.663 1.00 0.00 H new ATOM 0 HD13 LEU B 4 8.868 -19.326 -31.175 1.00 0.00 H new ATOM 0 HD21 LEU B 4 6.850 -21.620 -31.421 1.00 0.00 H new ATOM 0 HD22 LEU B 4 7.188 -20.697 -29.937 1.00 0.00 H new ATOM 0 HD23 LEU B 4 5.521 -20.824 -30.545 1.00 0.00 H new ATOM 1031 N GLN B 5 3.547 -18.731 -30.866 1.00 0.00 N ATOM 1032 CA GLN B 5 2.187 -18.924 -30.289 1.00 0.00 C ATOM 1033 C GLN B 5 2.061 -18.095 -29.009 1.00 0.00 C ATOM 1034 O GLN B 5 0.978 -17.762 -28.571 1.00 0.00 O ATOM 1035 CB GLN B 5 2.102 -20.420 -29.978 1.00 0.00 C ATOM 1036 CG GLN B 5 0.681 -20.777 -29.540 1.00 0.00 C ATOM 1037 CD GLN B 5 0.624 -22.255 -29.148 1.00 0.00 C ATOM 1038 OE1 GLN B 5 0.019 -23.054 -29.835 1.00 0.00 O ATOM 1039 NE2 GLN B 5 1.232 -22.656 -28.064 1.00 0.00 N ATOM 0 H GLN B 5 4.057 -19.589 -31.078 1.00 0.00 H new ATOM 0 HA GLN B 5 1.389 -18.609 -30.961 1.00 0.00 H new ATOM 0 HB2 GLN B 5 2.378 -21.000 -30.859 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.811 -20.678 -29.191 1.00 0.00 H new ATOM 0 HG2 GLN B 5 0.382 -20.154 -28.697 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -0.021 -20.577 -30.349 1.00 0.00 H new ATOM 0 HE21 GLN B 5 1.740 -21.986 -27.487 1.00 0.00 H new ATOM 0 HE22 GLN B 5 1.199 -23.639 -27.795 1.00 0.00 H new ATOM 1048 N TYR B 6 3.172 -17.754 -28.411 1.00 0.00 N ATOM 1049 CA TYR B 6 3.137 -16.939 -27.163 1.00 0.00 C ATOM 1050 C TYR B 6 2.071 -17.478 -26.206 1.00 0.00 C ATOM 1051 O TYR B 6 0.973 -16.962 -26.134 1.00 0.00 O ATOM 1052 CB TYR B 6 2.777 -15.526 -27.623 1.00 0.00 C ATOM 1053 CG TYR B 6 3.134 -14.534 -26.543 1.00 0.00 C ATOM 1054 CD1 TYR B 6 2.333 -14.425 -25.399 1.00 0.00 C ATOM 1055 CD2 TYR B 6 4.265 -13.721 -26.685 1.00 0.00 C ATOM 1056 CE1 TYR B 6 2.664 -13.504 -24.398 1.00 0.00 C ATOM 1057 CE2 TYR B 6 4.596 -12.800 -25.684 1.00 0.00 C ATOM 1058 CZ TYR B 6 3.795 -12.691 -24.541 1.00 0.00 C ATOM 1059 OH TYR B 6 4.121 -11.782 -23.554 1.00 0.00 O ATOM 0 H TYR B 6 4.106 -18.006 -28.735 1.00 0.00 H new ATOM 0 HA TYR B 6 4.086 -16.966 -26.627 1.00 0.00 H new ATOM 0 HB2 TYR B 6 3.311 -15.285 -28.542 1.00 0.00 H new ATOM 0 HB3 TYR B 6 1.712 -15.466 -27.848 1.00 0.00 H new ATOM 0 HD1 TYR B 6 1.460 -15.051 -25.289 1.00 0.00 H new ATOM 0 HD2 TYR B 6 4.882 -13.804 -27.567 1.00 0.00 H new ATOM 0 HE1 TYR B 6 2.047 -13.421 -23.516 1.00 0.00 H new ATOM 0 HE2 TYR B 6 5.469 -12.174 -25.793 1.00 0.00 H new ATOM 0 HH TYR B 6 4.935 -11.299 -23.810 1.00 0.00 H new ATOM 1069 N LYS B 7 2.381 -18.508 -25.467 1.00 0.00 N ATOM 1070 CA LYS B 7 1.375 -19.067 -24.517 1.00 0.00 C ATOM 1071 C LYS B 7 2.066 -19.820 -23.378 1.00 0.00 C ATOM 1072 O LYS B 7 1.693 -20.924 -23.035 1.00 0.00 O ATOM 1073 CB LYS B 7 0.530 -20.025 -25.354 1.00 0.00 C ATOM 1074 CG LYS B 7 -0.625 -20.559 -24.504 1.00 0.00 C ATOM 1075 CD LYS B 7 -1.954 -20.153 -25.138 1.00 0.00 C ATOM 1076 CE LYS B 7 -3.091 -20.947 -24.492 1.00 0.00 C ATOM 1077 NZ LYS B 7 -3.479 -20.152 -23.294 1.00 0.00 N ATOM 0 H LYS B 7 3.282 -18.985 -25.479 1.00 0.00 H new ATOM 0 HA LYS B 7 0.774 -18.284 -24.054 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.142 -19.511 -26.233 1.00 0.00 H new ATOM 0 HB3 LYS B 7 1.144 -20.851 -25.713 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -0.563 -21.645 -24.428 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -0.558 -20.164 -23.490 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -2.121 -19.084 -25.005 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -1.929 -20.340 -26.211 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -3.930 -21.064 -25.177 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.765 -21.949 -24.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -4.255 -20.632 -22.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.662 -20.063 -22.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -3.791 -19.206 -23.592 1.00 0.00 H new ATOM 1091 N ASP B 8 3.066 -19.230 -22.783 1.00 0.00 N ATOM 1092 CA ASP B 8 3.770 -19.914 -21.661 1.00 0.00 C ATOM 1093 C ASP B 8 3.320 -19.325 -20.322 1.00 0.00 C ATOM 1094 O ASP B 8 2.291 -18.686 -20.229 1.00 0.00 O ATOM 1095 CB ASP B 8 5.255 -19.641 -21.896 1.00 0.00 C ATOM 1096 CG ASP B 8 5.523 -18.140 -21.774 1.00 0.00 C ATOM 1097 OD1 ASP B 8 5.217 -17.587 -20.729 1.00 0.00 O ATOM 1098 OD2 ASP B 8 6.029 -17.568 -22.725 1.00 0.00 O ATOM 0 H ASP B 8 3.426 -18.306 -23.024 1.00 0.00 H new ATOM 0 HA ASP B 8 3.555 -20.982 -21.628 1.00 0.00 H new ATOM 0 HB2 ASP B 8 5.856 -20.189 -21.170 1.00 0.00 H new ATOM 0 HB3 ASP B 8 5.549 -19.995 -22.884 1.00 0.00 H new ATOM 1103 N LEU B 9 4.084 -19.531 -19.286 1.00 0.00 N ATOM 1104 CA LEU B 9 3.698 -18.980 -17.957 1.00 0.00 C ATOM 1105 C LEU B 9 4.926 -18.406 -17.248 1.00 0.00 C ATOM 1106 O LEU B 9 6.040 -18.529 -17.716 1.00 0.00 O ATOM 1107 CB LEU B 9 3.138 -20.173 -17.180 1.00 0.00 C ATOM 1108 CG LEU B 9 1.762 -20.542 -17.736 1.00 0.00 C ATOM 1109 CD1 LEU B 9 1.412 -21.975 -17.330 1.00 0.00 C ATOM 1110 CD2 LEU B 9 0.711 -19.581 -17.174 1.00 0.00 C ATOM 0 H LEU B 9 4.958 -20.056 -19.302 1.00 0.00 H new ATOM 0 HA LEU B 9 2.972 -18.172 -18.040 1.00 0.00 H new ATOM 0 HB2 LEU B 9 3.815 -21.024 -17.261 1.00 0.00 H new ATOM 0 HB3 LEU B 9 3.060 -19.927 -16.121 1.00 0.00 H new ATOM 0 HG LEU B 9 1.779 -20.468 -18.823 1.00 0.00 H new ATOM 0 HD11 LEU B 9 0.431 -22.236 -17.727 1.00 0.00 H new ATOM 0 HD12 LEU B 9 2.160 -22.660 -17.730 1.00 0.00 H new ATOM 0 HD13 LEU B 9 1.395 -22.051 -16.243 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.270 -19.843 -17.570 1.00 0.00 H new ATOM 0 HD22 LEU B 9 0.695 -19.655 -16.087 1.00 0.00 H new ATOM 0 HD23 LEU B 9 0.959 -18.560 -17.465 1.00 0.00 H new ATOM 1122 N LYS B 10 4.731 -17.776 -16.124 1.00 0.00 N ATOM 1123 CA LYS B 10 5.885 -17.192 -15.386 1.00 0.00 C ATOM 1124 C LYS B 10 5.533 -17.021 -13.908 1.00 0.00 C ATOM 1125 O LYS B 10 5.270 -15.929 -13.444 1.00 0.00 O ATOM 1126 CB LYS B 10 6.128 -15.834 -16.045 1.00 0.00 C ATOM 1127 CG LYS B 10 4.860 -14.986 -15.947 1.00 0.00 C ATOM 1128 CD LYS B 10 4.917 -13.860 -16.981 1.00 0.00 C ATOM 1129 CE LYS B 10 5.138 -12.524 -16.268 1.00 0.00 C ATOM 1130 NZ LYS B 10 4.245 -11.561 -16.970 1.00 0.00 N ATOM 0 H LYS B 10 3.821 -17.640 -15.684 1.00 0.00 H new ATOM 0 HA LYS B 10 6.770 -17.827 -15.428 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.958 -15.324 -15.556 1.00 0.00 H new ATOM 0 HB3 LYS B 10 6.408 -15.970 -17.090 1.00 0.00 H new ATOM 0 HG2 LYS B 10 3.981 -15.607 -16.118 1.00 0.00 H new ATOM 0 HG3 LYS B 10 4.765 -14.569 -14.944 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.724 -14.044 -17.690 1.00 0.00 H new ATOM 0 HD3 LYS B 10 3.990 -13.830 -17.553 1.00 0.00 H new ATOM 0 HE2 LYS B 10 4.888 -12.595 -15.210 1.00 0.00 H new ATOM 0 HE3 LYS B 10 6.181 -12.212 -16.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 4.341 -10.620 -16.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 4.511 -11.509 -17.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 3.259 -11.880 -16.890 1.00 0.00 H new ATOM 1144 N ILE B 11 5.521 -18.093 -13.165 1.00 0.00 N ATOM 1145 CA ILE B 11 5.181 -17.992 -11.715 1.00 0.00 C ATOM 1146 C ILE B 11 6.226 -18.728 -10.869 1.00 0.00 C ATOM 1147 O ILE B 11 7.409 -18.468 -10.964 1.00 0.00 O ATOM 1148 CB ILE B 11 3.806 -18.652 -11.586 1.00 0.00 C ATOM 1149 CG1 ILE B 11 3.781 -19.953 -12.394 1.00 0.00 C ATOM 1150 CG2 ILE B 11 2.740 -17.707 -12.107 1.00 0.00 C ATOM 1151 CD1 ILE B 11 2.825 -20.945 -11.731 1.00 0.00 C ATOM 0 H ILE B 11 5.731 -19.034 -13.497 1.00 0.00 H new ATOM 0 HA ILE B 11 5.169 -16.961 -11.362 1.00 0.00 H new ATOM 0 HB ILE B 11 3.609 -18.877 -10.538 1.00 0.00 H new ATOM 0 HG12 ILE B 11 3.462 -19.752 -13.417 1.00 0.00 H new ATOM 0 HG13 ILE B 11 4.783 -20.379 -12.450 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.761 -18.177 -12.015 1.00 0.00 H new ATOM 0 HG22 ILE B 11 2.756 -16.785 -11.526 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.936 -17.479 -13.155 1.00 0.00 H new ATOM 0 HD11 ILE B 11 2.806 -21.871 -12.305 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.164 -21.154 -10.716 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.823 -20.518 -11.698 1.00 0.00 H new ATOM 1163 N ASP B 12 5.800 -19.641 -10.040 1.00 0.00 N ATOM 1164 CA ASP B 12 6.753 -20.384 -9.187 1.00 0.00 C ATOM 1165 C ASP B 12 7.712 -19.417 -8.487 1.00 0.00 C ATOM 1166 O ASP B 12 7.538 -18.215 -8.528 1.00 0.00 O ATOM 1167 CB ASP B 12 7.512 -21.308 -10.142 1.00 0.00 C ATOM 1168 CG ASP B 12 6.520 -22.206 -10.884 1.00 0.00 C ATOM 1169 OD1 ASP B 12 5.330 -22.041 -10.672 1.00 0.00 O ATOM 1170 OD2 ASP B 12 6.967 -23.042 -11.651 1.00 0.00 O ATOM 0 H ASP B 12 4.821 -19.902 -9.920 1.00 0.00 H new ATOM 0 HA ASP B 12 6.248 -20.945 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.087 -20.717 -10.855 1.00 0.00 H new ATOM 0 HB3 ASP B 12 8.224 -21.918 -9.585 1.00 0.00 H new ATOM 1175 N ILE B 13 8.724 -19.933 -7.845 1.00 0.00 N ATOM 1176 CA ILE B 13 9.696 -19.047 -7.142 1.00 0.00 C ATOM 1177 C ILE B 13 10.904 -18.774 -8.042 1.00 0.00 C ATOM 1178 O ILE B 13 11.755 -19.621 -8.229 1.00 0.00 O ATOM 1179 CB ILE B 13 10.111 -19.833 -5.898 1.00 0.00 C ATOM 1180 CG1 ILE B 13 8.917 -19.940 -4.944 1.00 0.00 C ATOM 1181 CG2 ILE B 13 11.262 -19.112 -5.194 1.00 0.00 C ATOM 1182 CD1 ILE B 13 8.140 -21.228 -5.232 1.00 0.00 C ATOM 0 H ILE B 13 8.920 -20.932 -7.777 1.00 0.00 H new ATOM 0 HA ILE B 13 9.270 -18.077 -6.886 1.00 0.00 H new ATOM 0 HB ILE B 13 10.436 -20.831 -6.191 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.263 -19.936 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE B 13 8.264 -19.075 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE B 13 11.556 -19.674 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE B 13 12.112 -19.034 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE B 13 10.940 -18.113 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE B 13 7.292 -21.301 -4.552 1.00 0.00 H new ATOM 0 HD12 ILE B 13 7.780 -21.213 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE B 13 8.795 -22.088 -5.089 1.00 0.00 H new ATOM 1194 N LYS B 14 10.981 -17.601 -8.613 1.00 0.00 N ATOM 1195 CA LYS B 14 12.129 -17.280 -9.511 1.00 0.00 C ATOM 1196 C LYS B 14 12.858 -16.022 -9.028 1.00 0.00 C ATOM 1197 O LYS B 14 12.520 -15.446 -8.014 1.00 0.00 O ATOM 1198 CB LYS B 14 11.496 -17.026 -10.878 1.00 0.00 C ATOM 1199 CG LYS B 14 11.914 -18.130 -11.850 1.00 0.00 C ATOM 1200 CD LYS B 14 10.691 -18.971 -12.216 1.00 0.00 C ATOM 1201 CE LYS B 14 10.736 -19.316 -13.706 1.00 0.00 C ATOM 1202 NZ LYS B 14 11.601 -20.526 -13.795 1.00 0.00 N ATOM 0 H LYS B 14 10.299 -16.852 -8.496 1.00 0.00 H new ATOM 0 HA LYS B 14 12.865 -18.083 -9.534 1.00 0.00 H new ATOM 0 HB2 LYS B 14 10.410 -16.999 -10.788 1.00 0.00 H new ATOM 0 HB3 LYS B 14 11.808 -16.054 -11.260 1.00 0.00 H new ATOM 0 HG2 LYS B 14 12.351 -17.693 -12.748 1.00 0.00 H new ATOM 0 HG3 LYS B 14 12.680 -18.759 -11.396 1.00 0.00 H new ATOM 0 HD2 LYS B 14 10.673 -19.884 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS B 14 9.777 -18.423 -11.986 1.00 0.00 H new ATOM 0 HE2 LYS B 14 9.738 -19.515 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS B 14 11.148 -18.493 -14.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 11.680 -20.824 -14.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 12.547 -20.305 -13.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 11.181 -21.295 -13.235 1.00 0.00 H new ATOM 1216 N THR B 15 13.851 -15.588 -9.758 1.00 0.00 N ATOM 1217 CA THR B 15 14.599 -14.363 -9.353 1.00 0.00 C ATOM 1218 C THR B 15 13.905 -13.116 -9.915 1.00 0.00 C ATOM 1219 O THR B 15 13.943 -12.864 -11.102 1.00 0.00 O ATOM 1220 CB THR B 15 15.990 -14.526 -9.962 1.00 0.00 C ATOM 1221 OG1 THR B 15 15.872 -14.975 -11.308 1.00 0.00 O ATOM 1222 CG2 THR B 15 16.786 -15.542 -9.139 1.00 0.00 C ATOM 0 H THR B 15 14.176 -16.030 -10.618 1.00 0.00 H new ATOM 0 HA THR B 15 14.644 -14.243 -8.271 1.00 0.00 H new ATOM 0 HB THR B 15 16.510 -13.568 -9.952 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.218 -14.420 -11.782 1.00 0.00 H new ATOM 0 HG21 THR B 15 17.780 -15.661 -9.571 1.00 0.00 H new ATOM 0 HG22 THR B 15 16.876 -15.188 -8.112 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.269 -16.502 -9.147 1.00 0.00 H new ATOM 1230 N SER B 16 13.262 -12.339 -9.074 1.00 0.00 N ATOM 1231 CA SER B 16 12.564 -11.114 -9.573 1.00 0.00 C ATOM 1232 C SER B 16 13.606 -10.153 -10.233 1.00 0.00 C ATOM 1233 O SER B 16 14.259 -10.602 -11.152 1.00 0.00 O ATOM 1234 CB SER B 16 11.823 -10.571 -8.350 1.00 0.00 C ATOM 1235 OG SER B 16 10.922 -11.565 -7.878 1.00 0.00 O ATOM 0 H SER B 16 13.192 -12.500 -8.069 1.00 0.00 H new ATOM 0 HA SER B 16 11.838 -11.282 -10.369 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.533 -10.304 -7.567 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.279 -9.663 -8.611 1.00 0.00 H new ATOM 0 HG SER B 16 10.443 -11.226 -7.093 1.00 0.00 H new ATOM 1241 N PRO B 17 13.795 -8.879 -9.848 1.00 0.00 N ATOM 1242 CA PRO B 17 13.135 -8.111 -8.775 1.00 0.00 C ATOM 1243 C PRO B 17 12.248 -7.024 -9.378 1.00 0.00 C ATOM 1244 O PRO B 17 12.241 -5.911 -8.889 1.00 0.00 O ATOM 1245 CB PRO B 17 14.330 -7.390 -8.160 1.00 0.00 C ATOM 1246 CG PRO B 17 15.342 -7.300 -9.262 1.00 0.00 C ATOM 1247 CD PRO B 17 14.743 -7.981 -10.450 1.00 0.00 C ATOM 0 HA PRO B 17 12.532 -8.727 -8.108 1.00 0.00 H new ATOM 0 HB2 PRO B 17 14.050 -6.400 -7.800 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.725 -7.940 -7.306 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.576 -6.260 -9.489 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.276 -7.780 -8.970 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.260 -7.273 -11.123 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.494 -8.514 -11.033 1.00 0.00 H new ATOM 1255 N PRO B 18 11.574 -7.335 -10.444 1.00 0.00 N ATOM 1256 CA PRO B 18 10.758 -6.306 -11.107 1.00 0.00 C ATOM 1257 C PRO B 18 9.684 -5.725 -10.167 1.00 0.00 C ATOM 1258 O PRO B 18 9.425 -4.539 -10.228 1.00 0.00 O ATOM 1259 CB PRO B 18 10.236 -7.015 -12.353 1.00 0.00 C ATOM 1260 CG PRO B 18 10.293 -8.466 -12.030 1.00 0.00 C ATOM 1261 CD PRO B 18 11.480 -8.633 -11.122 1.00 0.00 C ATOM 0 HA PRO B 18 11.310 -5.408 -11.385 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.218 -6.703 -12.586 1.00 0.00 H new ATOM 0 HB3 PRO B 18 10.848 -6.781 -13.224 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.376 -8.795 -11.541 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.404 -9.065 -12.934 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.332 -9.447 -10.413 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.387 -8.860 -11.683 1.00 0.00 H new ATOM 1269 N PRO B 19 9.136 -6.518 -9.271 1.00 0.00 N ATOM 1270 CA PRO B 19 8.176 -5.950 -8.299 1.00 0.00 C ATOM 1271 C PRO B 19 8.996 -5.165 -7.272 1.00 0.00 C ATOM 1272 O PRO B 19 9.250 -5.630 -6.182 1.00 0.00 O ATOM 1273 CB PRO B 19 7.523 -7.173 -7.667 1.00 0.00 C ATOM 1274 CG PRO B 19 8.526 -8.268 -7.828 1.00 0.00 C ATOM 1275 CD PRO B 19 9.326 -7.961 -9.069 1.00 0.00 C ATOM 0 HA PRO B 19 7.427 -5.282 -8.724 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.292 -6.999 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.584 -7.421 -8.163 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.177 -8.325 -6.955 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.030 -9.234 -7.919 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.379 -8.209 -8.936 1.00 0.00 H new ATOM 0 HD3 PRO B 19 8.969 -8.534 -9.925 1.00 0.00 H new ATOM 1283 N GLU B 20 9.466 -4.004 -7.656 1.00 0.00 N ATOM 1284 CA GLU B 20 10.341 -3.174 -6.761 1.00 0.00 C ATOM 1285 C GLU B 20 9.710 -2.868 -5.397 1.00 0.00 C ATOM 1286 O GLU B 20 9.647 -1.729 -4.993 1.00 0.00 O ATOM 1287 CB GLU B 20 10.561 -1.863 -7.522 1.00 0.00 C ATOM 1288 CG GLU B 20 9.257 -1.411 -8.184 1.00 0.00 C ATOM 1289 CD GLU B 20 9.009 0.064 -7.862 1.00 0.00 C ATOM 1290 OE1 GLU B 20 8.458 0.335 -6.807 1.00 0.00 O ATOM 1291 OE2 GLU B 20 9.378 0.898 -8.672 1.00 0.00 O ATOM 0 H GLU B 20 9.278 -3.587 -8.568 1.00 0.00 H new ATOM 0 HA GLU B 20 11.260 -3.717 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU B 20 10.916 -1.092 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.334 -1.999 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU B 20 9.315 -1.554 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU B 20 8.425 -2.018 -7.826 1.00 0.00 H new ATOM 1298 N CYS B 21 9.290 -3.851 -4.655 1.00 0.00 N ATOM 1299 CA CYS B 21 8.734 -3.531 -3.301 1.00 0.00 C ATOM 1300 C CYS B 21 9.894 -3.339 -2.318 1.00 0.00 C ATOM 1301 O CYS B 21 9.806 -2.559 -1.389 1.00 0.00 O ATOM 1302 CB CYS B 21 7.770 -4.656 -2.835 1.00 0.00 C ATOM 1303 SG CYS B 21 7.897 -6.152 -3.855 1.00 0.00 S ATOM 0 H CYS B 21 9.303 -4.838 -4.912 1.00 0.00 H new ATOM 0 HA CYS B 21 8.157 -2.607 -3.344 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.988 -4.909 -1.797 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.745 -4.286 -2.865 1.00 0.00 H new ATOM 0 HG CYS B 21 7.951 -5.818 -5.110 1.00 0.00 H new ATOM 1309 N ILE B 22 10.993 -4.023 -2.527 1.00 0.00 N ATOM 1310 CA ILE B 22 12.165 -3.848 -1.612 1.00 0.00 C ATOM 1311 C ILE B 22 12.921 -2.588 -1.977 1.00 0.00 C ATOM 1312 O ILE B 22 13.132 -1.713 -1.170 1.00 0.00 O ATOM 1313 CB ILE B 22 13.093 -5.038 -1.850 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.406 -6.383 -1.588 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.300 -4.914 -0.931 1.00 0.00 C ATOM 1316 CD1 ILE B 22 11.010 -6.204 -0.973 1.00 0.00 C ATOM 0 H ILE B 22 11.129 -4.691 -3.286 1.00 0.00 H new ATOM 0 HA ILE B 22 11.832 -3.783 -0.576 1.00 0.00 H new ATOM 0 HB ILE B 22 13.389 -5.019 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.322 -6.936 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE B 22 13.024 -6.982 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.969 -5.759 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.829 -3.986 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.968 -4.908 0.107 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.559 -7.182 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE B 22 11.096 -5.675 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.383 -5.628 -1.654 1.00 0.00 H new ATOM 1328 N ASN B 23 13.361 -2.495 -3.190 1.00 0.00 N ATOM 1329 CA ASN B 23 14.122 -1.279 -3.575 1.00 0.00 C ATOM 1330 C ASN B 23 13.233 -0.051 -3.406 1.00 0.00 C ATOM 1331 O ASN B 23 13.613 0.905 -2.769 1.00 0.00 O ATOM 1332 CB ASN B 23 14.541 -1.466 -5.032 1.00 0.00 C ATOM 1333 CG ASN B 23 13.317 -1.439 -5.938 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.305 -2.027 -5.622 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.367 -0.770 -7.058 1.00 0.00 N ATOM 0 H ASN B 23 13.233 -3.192 -3.924 1.00 0.00 H new ATOM 0 HA ASN B 23 15.002 -1.133 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.235 -0.678 -5.323 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.068 -2.413 -5.148 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.552 -0.741 -7.671 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.221 -0.277 -7.320 1.00 0.00 H new ATOM 1342 N ASP B 24 12.032 -0.078 -3.921 1.00 0.00 N ATOM 1343 CA ASP B 24 11.141 1.095 -3.730 1.00 0.00 C ATOM 1344 C ASP B 24 10.964 1.291 -2.240 1.00 0.00 C ATOM 1345 O ASP B 24 10.620 2.357 -1.766 1.00 0.00 O ATOM 1346 CB ASP B 24 9.813 0.721 -4.382 1.00 0.00 C ATOM 1347 CG ASP B 24 8.936 1.968 -4.513 1.00 0.00 C ATOM 1348 OD1 ASP B 24 9.123 2.702 -5.470 1.00 0.00 O ATOM 1349 OD2 ASP B 24 8.091 2.168 -3.656 1.00 0.00 O ATOM 0 H ASP B 24 11.637 -0.851 -4.457 1.00 0.00 H new ATOM 0 HA ASP B 24 11.534 2.014 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP B 24 9.989 0.283 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.302 -0.034 -3.784 1.00 0.00 H new ATOM 1354 N LEU B 25 11.221 0.255 -1.494 1.00 0.00 N ATOM 1355 CA LEU B 25 11.099 0.351 -0.034 1.00 0.00 C ATOM 1356 C LEU B 25 12.383 0.881 0.534 1.00 0.00 C ATOM 1357 O LEU B 25 12.442 1.885 1.214 1.00 0.00 O ATOM 1358 CB LEU B 25 10.909 -1.089 0.460 1.00 0.00 C ATOM 1359 CG LEU B 25 11.543 -1.284 1.863 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.469 -1.294 2.932 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.322 -2.594 1.904 1.00 0.00 C ATOM 0 H LEU B 25 11.512 -0.657 -1.846 1.00 0.00 H new ATOM 0 HA LEU B 25 10.279 1.006 0.262 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.846 -1.326 0.501 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.363 -1.783 -0.248 1.00 0.00 H new ATOM 0 HG LEU B 25 12.223 -0.454 2.056 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.930 -1.432 3.910 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.930 -0.347 2.915 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.773 -2.111 2.741 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.764 -2.724 2.892 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.648 -3.425 1.696 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.112 -2.571 1.153 1.00 0.00 H new ATOM 1373 N LEU B 26 13.401 0.127 0.302 1.00 0.00 N ATOM 1374 CA LEU B 26 14.701 0.445 0.850 1.00 0.00 C ATOM 1375 C LEU B 26 15.305 1.631 0.117 1.00 0.00 C ATOM 1376 O LEU B 26 16.352 2.134 0.474 1.00 0.00 O ATOM 1377 CB LEU B 26 15.482 -0.835 0.634 1.00 0.00 C ATOM 1378 CG LEU B 26 16.944 -0.540 0.760 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.219 -0.127 2.193 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.748 -1.794 0.415 1.00 0.00 C ATOM 0 H LEU B 26 13.372 -0.721 -0.264 1.00 0.00 H new ATOM 0 HA LEU B 26 14.686 0.742 1.899 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.185 -1.586 1.366 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.264 -1.247 -0.351 1.00 0.00 H new ATOM 0 HG LEU B 26 17.233 0.260 0.078 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.280 0.094 2.311 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.635 0.761 2.434 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.940 -0.938 2.865 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.813 -1.580 0.506 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.479 -2.598 1.100 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.526 -2.099 -0.608 1.00 0.00 H new ATOM 1392 N GLN B 27 14.621 2.121 -0.873 1.00 0.00 N ATOM 1393 CA GLN B 27 15.112 3.304 -1.586 1.00 0.00 C ATOM 1394 C GLN B 27 15.023 4.482 -0.623 1.00 0.00 C ATOM 1395 O GLN B 27 15.487 5.569 -0.902 1.00 0.00 O ATOM 1396 CB GLN B 27 14.133 3.485 -2.729 1.00 0.00 C ATOM 1397 CG GLN B 27 14.685 2.798 -3.979 1.00 0.00 C ATOM 1398 CD GLN B 27 15.116 3.839 -5.014 1.00 0.00 C ATOM 1399 OE1 GLN B 27 16.049 3.620 -5.762 1.00 0.00 O ATOM 1400 NE2 GLN B 27 14.473 4.967 -5.092 1.00 0.00 N ATOM 0 H GLN B 27 13.737 1.743 -1.214 1.00 0.00 H new ATOM 0 HA GLN B 27 16.138 3.220 -1.945 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.164 3.061 -2.464 1.00 0.00 H new ATOM 0 HB3 GLN B 27 13.974 4.546 -2.923 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.534 2.169 -3.711 1.00 0.00 H new ATOM 0 HG3 GLN B 27 13.926 2.143 -4.407 1.00 0.00 H new ATOM 0 HE21 GLN B 27 13.690 5.152 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN B 27 14.752 5.666 -5.780 1.00 0.00 H new ATOM 1409 N ALA B 28 14.389 4.270 0.511 1.00 0.00 N ATOM 1410 CA ALA B 28 14.228 5.374 1.478 1.00 0.00 C ATOM 1411 C ALA B 28 14.761 5.031 2.883 1.00 0.00 C ATOM 1412 O ALA B 28 14.951 5.926 3.683 1.00 0.00 O ATOM 1413 CB ALA B 28 12.719 5.611 1.534 1.00 0.00 C ATOM 0 H ALA B 28 13.983 3.379 0.795 1.00 0.00 H new ATOM 0 HA ALA B 28 14.799 6.248 1.164 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.503 6.420 2.232 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.356 5.881 0.542 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.220 4.701 1.867 1.00 0.00 H new ATOM 1419 N VAL B 29 15.002 3.779 3.240 1.00 0.00 N ATOM 1420 CA VAL B 29 15.501 3.553 4.627 1.00 0.00 C ATOM 1421 C VAL B 29 16.978 3.213 4.627 1.00 0.00 C ATOM 1422 O VAL B 29 17.534 2.856 5.643 1.00 0.00 O ATOM 1423 CB VAL B 29 14.625 2.430 5.226 1.00 0.00 C ATOM 1424 CG1 VAL B 29 14.175 1.454 4.142 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.403 1.658 6.297 1.00 0.00 C ATOM 0 H VAL B 29 14.880 2.950 2.658 1.00 0.00 H new ATOM 0 HA VAL B 29 15.419 4.452 5.237 1.00 0.00 H new ATOM 0 HB VAL B 29 13.749 2.898 5.674 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.560 0.673 4.588 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.594 1.988 3.390 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.049 1.003 3.672 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.772 0.871 6.709 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.293 1.214 5.851 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.699 2.340 7.094 1.00 0.00 H new ATOM 1435 N ASP B 30 17.640 3.368 3.517 1.00 0.00 N ATOM 1436 CA ASP B 30 19.096 3.088 3.510 1.00 0.00 C ATOM 1437 C ASP B 30 19.353 1.770 4.199 1.00 0.00 C ATOM 1438 O ASP B 30 19.454 1.710 5.409 1.00 0.00 O ATOM 1439 CB ASP B 30 19.682 4.211 4.346 1.00 0.00 C ATOM 1440 CG ASP B 30 20.057 5.390 3.446 1.00 0.00 C ATOM 1441 OD1 ASP B 30 21.018 5.262 2.706 1.00 0.00 O ATOM 1442 OD2 ASP B 30 19.376 6.400 3.511 1.00 0.00 O ATOM 0 H ASP B 30 17.242 3.672 2.628 1.00 0.00 H new ATOM 0 HA ASP B 30 19.518 3.033 2.507 1.00 0.00 H new ATOM 0 HB2 ASP B 30 18.960 4.531 5.097 1.00 0.00 H new ATOM 0 HB3 ASP B 30 20.563 3.856 4.881 1.00 0.00 H new ATOM 1447 N SER B 31 19.421 0.697 3.488 1.00 0.00 N ATOM 1448 CA SER B 31 19.605 -0.559 4.213 1.00 0.00 C ATOM 1449 C SER B 31 20.003 -1.677 3.251 1.00 0.00 C ATOM 1450 O SER B 31 19.270 -2.616 3.018 1.00 0.00 O ATOM 1451 CB SER B 31 18.213 -0.727 4.823 1.00 0.00 C ATOM 1452 OG SER B 31 18.332 -1.177 6.157 1.00 0.00 O ATOM 0 H SER B 31 19.359 0.637 2.472 1.00 0.00 H new ATOM 0 HA SER B 31 20.400 -0.577 4.958 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.676 0.221 4.795 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.632 -1.440 4.238 1.00 0.00 H new ATOM 0 HG SER B 31 17.537 -1.697 6.399 1.00 0.00 H new ATOM 1458 N GLN B 32 21.182 -1.566 2.693 1.00 0.00 N ATOM 1459 CA GLN B 32 21.671 -2.593 1.735 1.00 0.00 C ATOM 1460 C GLN B 32 21.454 -3.993 2.299 1.00 0.00 C ATOM 1461 O GLN B 32 21.388 -4.954 1.569 1.00 0.00 O ATOM 1462 CB GLN B 32 23.164 -2.305 1.588 1.00 0.00 C ATOM 1463 CG GLN B 32 23.587 -2.532 0.137 1.00 0.00 C ATOM 1464 CD GLN B 32 24.675 -3.598 0.088 1.00 0.00 C ATOM 1465 OE1 GLN B 32 25.812 -3.342 0.431 1.00 0.00 O ATOM 1466 NE2 GLN B 32 24.370 -4.790 -0.327 1.00 0.00 N ATOM 0 H GLN B 32 21.831 -0.798 2.865 1.00 0.00 H new ATOM 0 HA GLN B 32 21.145 -2.552 0.781 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.378 -1.278 1.884 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.737 -2.953 2.251 1.00 0.00 H new ATOM 0 HG2 GLN B 32 22.729 -2.844 -0.459 1.00 0.00 H new ATOM 0 HG3 GLN B 32 23.954 -1.602 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN B 32 23.414 -5.001 -0.614 1.00 0.00 H new ATOM 0 HE22 GLN B 32 25.086 -5.515 -0.366 1.00 0.00 H new ATOM 1475 N GLU B 33 21.314 -4.125 3.585 1.00 0.00 N ATOM 1476 CA GLU B 33 21.077 -5.478 4.150 1.00 0.00 C ATOM 1477 C GLU B 33 19.715 -5.962 3.676 1.00 0.00 C ATOM 1478 O GLU B 33 19.473 -7.143 3.528 1.00 0.00 O ATOM 1479 CB GLU B 33 21.080 -5.302 5.663 1.00 0.00 C ATOM 1480 CG GLU B 33 22.390 -4.646 6.107 1.00 0.00 C ATOM 1481 CD GLU B 33 22.807 -5.208 7.469 1.00 0.00 C ATOM 1482 OE1 GLU B 33 22.575 -6.384 7.698 1.00 0.00 O ATOM 1483 OE2 GLU B 33 23.349 -4.454 8.259 1.00 0.00 O ATOM 0 H GLU B 33 21.353 -3.364 4.263 1.00 0.00 H new ATOM 0 HA GLU B 33 21.829 -6.204 3.841 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.233 -4.687 5.968 1.00 0.00 H new ATOM 0 HB3 GLU B 33 20.964 -6.270 6.151 1.00 0.00 H new ATOM 0 HG2 GLU B 33 23.171 -4.833 5.370 1.00 0.00 H new ATOM 0 HG3 GLU B 33 22.264 -3.565 6.171 1.00 0.00 H new ATOM 1490 N VAL B 34 18.829 -5.043 3.424 1.00 0.00 N ATOM 1491 CA VAL B 34 17.479 -5.416 2.942 1.00 0.00 C ATOM 1492 C VAL B 34 17.560 -5.756 1.452 1.00 0.00 C ATOM 1493 O VAL B 34 16.963 -6.706 0.988 1.00 0.00 O ATOM 1494 CB VAL B 34 16.618 -4.177 3.230 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.614 -3.944 2.101 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.864 -4.391 4.543 1.00 0.00 C ATOM 0 H VAL B 34 18.986 -4.041 3.533 1.00 0.00 H new ATOM 0 HA VAL B 34 17.054 -6.295 3.426 1.00 0.00 H new ATOM 0 HB VAL B 34 17.266 -3.304 3.304 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.014 -3.062 2.324 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.149 -3.791 1.164 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.962 -4.813 2.009 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.250 -3.516 4.756 1.00 0.00 H new ATOM 0 HG22 VAL B 34 15.226 -5.271 4.457 1.00 0.00 H new ATOM 0 HG23 VAL B 34 16.578 -4.539 5.353 1.00 0.00 H new ATOM 1506 N ARG B 35 18.329 -5.015 0.707 1.00 0.00 N ATOM 1507 CA ARG B 35 18.482 -5.336 -0.736 1.00 0.00 C ATOM 1508 C ARG B 35 19.476 -6.485 -0.852 1.00 0.00 C ATOM 1509 O ARG B 35 19.245 -7.457 -1.543 1.00 0.00 O ATOM 1510 CB ARG B 35 19.049 -4.081 -1.357 1.00 0.00 C ATOM 1511 CG ARG B 35 18.022 -3.462 -2.300 1.00 0.00 C ATOM 1512 CD ARG B 35 18.753 -2.870 -3.500 1.00 0.00 C ATOM 1513 NE ARG B 35 17.707 -2.701 -4.545 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.948 -1.977 -5.607 1.00 0.00 C ATOM 1515 NH1 ARG B 35 18.965 -1.156 -5.626 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.174 -2.074 -6.652 1.00 0.00 N ATOM 0 H ARG B 35 18.856 -4.205 1.033 1.00 0.00 H new ATOM 0 HA ARG B 35 17.552 -5.630 -1.222 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.317 -3.368 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.963 -4.315 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.307 -4.217 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.454 -2.688 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.217 -1.916 -3.248 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.549 -3.531 -3.842 1.00 0.00 H new ATOM 0 HE ARG B 35 16.799 -3.152 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG B 35 19.573 -1.079 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG B 35 19.150 -0.593 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG B 35 16.380 -2.715 -6.641 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.362 -1.509 -7.480 1.00 0.00 H new ATOM 1530 N ASP B 36 20.560 -6.402 -0.124 1.00 0.00 N ATOM 1531 CA ASP B 36 21.536 -7.516 -0.139 1.00 0.00 C ATOM 1532 C ASP B 36 20.757 -8.762 0.238 1.00 0.00 C ATOM 1533 O ASP B 36 21.075 -9.873 -0.137 1.00 0.00 O ATOM 1534 CB ASP B 36 22.566 -7.178 0.940 1.00 0.00 C ATOM 1535 CG ASP B 36 23.770 -8.111 0.809 1.00 0.00 C ATOM 1536 OD1 ASP B 36 23.574 -9.244 0.400 1.00 0.00 O ATOM 1537 OD2 ASP B 36 24.868 -7.680 1.120 1.00 0.00 O ATOM 0 H ASP B 36 20.805 -5.613 0.475 1.00 0.00 H new ATOM 0 HA ASP B 36 22.032 -7.667 -1.098 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.885 -6.140 0.841 1.00 0.00 H new ATOM 0 HB3 ASP B 36 22.119 -7.281 1.929 1.00 0.00 H new ATOM 1542 N TYR B 37 19.700 -8.540 0.960 1.00 0.00 N ATOM 1543 CA TYR B 37 18.810 -9.622 1.376 1.00 0.00 C ATOM 1544 C TYR B 37 17.903 -9.946 0.196 1.00 0.00 C ATOM 1545 O TYR B 37 17.802 -11.070 -0.245 1.00 0.00 O ATOM 1546 CB TYR B 37 18.031 -9.019 2.541 1.00 0.00 C ATOM 1547 CG TYR B 37 16.700 -9.696 2.630 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.680 -9.293 1.773 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.509 -10.762 3.507 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.464 -9.956 1.778 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.281 -11.424 3.531 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.259 -11.028 2.663 1.00 0.00 C ATOM 1553 OH TYR B 37 13.060 -11.712 2.665 1.00 0.00 O ATOM 0 H TYR B 37 19.417 -7.615 1.284 1.00 0.00 H new ATOM 0 HA TYR B 37 19.307 -10.546 1.672 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.583 -9.148 3.472 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.900 -7.947 2.394 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.837 -8.461 1.102 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.307 -11.074 4.164 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.677 -9.650 1.105 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.120 -12.241 4.219 1.00 0.00 H new ATOM 0 HH TYR B 37 12.659 -11.666 3.558 1.00 0.00 H new ATOM 1563 N CYS B 38 17.266 -8.945 -0.332 1.00 0.00 N ATOM 1564 CA CYS B 38 16.372 -9.147 -1.492 1.00 0.00 C ATOM 1565 C CYS B 38 17.106 -9.937 -2.574 1.00 0.00 C ATOM 1566 O CYS B 38 16.617 -10.931 -3.070 1.00 0.00 O ATOM 1567 CB CYS B 38 16.049 -7.727 -1.941 1.00 0.00 C ATOM 1568 SG CYS B 38 14.653 -7.731 -3.080 1.00 0.00 S ATOM 0 H CYS B 38 17.330 -7.982 -0.002 1.00 0.00 H new ATOM 0 HA CYS B 38 15.470 -9.716 -1.267 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.817 -7.108 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.920 -7.285 -2.425 1.00 0.00 H new ATOM 0 HG CYS B 38 14.298 -8.957 -3.327 1.00 0.00 H new ATOM 1574 N GLU B 39 18.294 -9.529 -2.918 1.00 0.00 N ATOM 1575 CA GLU B 39 19.064 -10.292 -3.929 1.00 0.00 C ATOM 1576 C GLU B 39 19.575 -11.568 -3.271 1.00 0.00 C ATOM 1577 O GLU B 39 20.031 -12.480 -3.932 1.00 0.00 O ATOM 1578 CB GLU B 39 20.225 -9.382 -4.312 1.00 0.00 C ATOM 1579 CG GLU B 39 20.977 -8.995 -3.041 1.00 0.00 C ATOM 1580 CD GLU B 39 22.376 -9.611 -3.064 1.00 0.00 C ATOM 1581 OE1 GLU B 39 23.113 -9.327 -3.995 1.00 0.00 O ATOM 1582 OE2 GLU B 39 22.690 -10.356 -2.149 1.00 0.00 O ATOM 0 H GLU B 39 18.761 -8.703 -2.543 1.00 0.00 H new ATOM 0 HA GLU B 39 18.478 -10.571 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.893 -9.892 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.856 -8.491 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU B 39 21.048 -7.910 -2.965 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.431 -9.341 -2.164 1.00 0.00 H new ATOM 1589 N LYS B 40 19.443 -11.669 -1.970 1.00 0.00 N ATOM 1590 CA LYS B 40 19.860 -12.917 -1.303 1.00 0.00 C ATOM 1591 C LYS B 40 18.666 -13.828 -1.390 1.00 0.00 C ATOM 1592 O LYS B 40 18.759 -15.036 -1.489 1.00 0.00 O ATOM 1593 CB LYS B 40 20.138 -12.582 0.163 1.00 0.00 C ATOM 1594 CG LYS B 40 20.301 -13.884 0.944 1.00 0.00 C ATOM 1595 CD LYS B 40 20.636 -13.565 2.398 1.00 0.00 C ATOM 1596 CE LYS B 40 21.704 -14.537 2.896 1.00 0.00 C ATOM 1597 NZ LYS B 40 22.104 -14.021 4.235 1.00 0.00 N ATOM 0 H LYS B 40 19.068 -10.945 -1.357 1.00 0.00 H new ATOM 0 HA LYS B 40 20.745 -13.372 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS B 40 21.040 -11.976 0.247 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.319 -11.994 0.577 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.383 -14.470 0.891 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.092 -14.490 0.502 1.00 0.00 H new ATOM 0 HD2 LYS B 40 20.994 -12.539 2.484 1.00 0.00 H new ATOM 0 HD3 LYS B 40 19.741 -13.643 3.015 1.00 0.00 H new ATOM 0 HE2 LYS B 40 21.312 -15.552 2.966 1.00 0.00 H new ATOM 0 HE3 LYS B 40 22.555 -14.570 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 22.836 -14.638 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 22.480 -13.056 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 21.276 -14.008 4.864 1.00 0.00 H new ATOM 1611 N LYS B 41 17.525 -13.206 -1.366 1.00 0.00 N ATOM 1612 CA LYS B 41 16.257 -13.930 -1.457 1.00 0.00 C ATOM 1613 C LYS B 41 16.121 -14.459 -2.856 1.00 0.00 C ATOM 1614 O LYS B 41 16.021 -15.642 -3.114 1.00 0.00 O ATOM 1615 CB LYS B 41 15.204 -12.861 -1.279 1.00 0.00 C ATOM 1616 CG LYS B 41 15.367 -12.070 -0.002 1.00 0.00 C ATOM 1617 CD LYS B 41 16.133 -12.869 1.039 1.00 0.00 C ATOM 1618 CE LYS B 41 15.173 -13.833 1.722 1.00 0.00 C ATOM 1619 NZ LYS B 41 16.034 -14.794 2.463 1.00 0.00 N ATOM 0 H LYS B 41 17.429 -12.194 -1.284 1.00 0.00 H new ATOM 0 HA LYS B 41 16.181 -14.745 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.241 -12.179 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.218 -13.326 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.894 -11.139 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.387 -11.800 0.390 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.948 -13.418 0.568 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.582 -12.200 1.773 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.502 -13.305 2.399 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.548 -14.348 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.436 -15.487 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.657 -15.289 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.612 -14.278 3.157 1.00 0.00 H new ATOM 1633 N GLY B 42 16.150 -13.535 -3.764 1.00 0.00 N ATOM 1634 CA GLY B 42 16.058 -13.882 -5.185 1.00 0.00 C ATOM 1635 C GLY B 42 15.168 -12.914 -5.966 1.00 0.00 C ATOM 1636 O GLY B 42 14.250 -13.304 -6.651 1.00 0.00 O ATOM 0 H GLY B 42 16.235 -12.537 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY B 42 17.057 -13.885 -5.621 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.664 -14.894 -5.284 1.00 0.00 H new ATOM 1640 N TRP B 43 15.489 -11.657 -5.916 1.00 0.00 N ATOM 1641 CA TRP B 43 14.737 -10.657 -6.727 1.00 0.00 C ATOM 1642 C TRP B 43 15.793 -9.969 -7.491 1.00 0.00 C ATOM 1643 O TRP B 43 15.773 -9.806 -8.694 1.00 0.00 O ATOM 1644 CB TRP B 43 14.103 -9.568 -5.870 1.00 0.00 C ATOM 1645 CG TRP B 43 13.573 -10.052 -4.577 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.093 -11.051 -3.863 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.465 -9.531 -3.781 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.388 -11.198 -2.736 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.394 -10.293 -2.608 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.530 -8.497 -3.947 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.462 -10.061 -1.622 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.573 -8.248 -2.953 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.542 -9.027 -1.784 1.00 0.00 C ATOM 0 H TRP B 43 16.243 -11.273 -5.347 1.00 0.00 H new ATOM 0 HA TRP B 43 13.954 -11.154 -7.299 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.845 -8.792 -5.679 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.293 -9.103 -6.432 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.947 -11.647 -4.149 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.582 -11.921 -2.043 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.548 -7.892 -4.842 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.444 -10.674 -0.733 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.855 -7.452 -3.087 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.810 -8.826 -1.016 1.00 0.00 H new ATOM 1664 N ILE B 44 16.758 -9.617 -6.713 1.00 0.00 N ATOM 1665 CA ILE B 44 17.973 -8.960 -7.184 1.00 0.00 C ATOM 1666 C ILE B 44 17.760 -7.471 -7.342 1.00 0.00 C ATOM 1667 O ILE B 44 18.525 -6.780 -7.985 1.00 0.00 O ATOM 1668 CB ILE B 44 18.316 -9.573 -8.520 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.099 -11.083 -8.480 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.787 -9.278 -8.808 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.516 -11.534 -9.816 1.00 0.00 C ATOM 0 H ILE B 44 16.744 -9.772 -5.705 1.00 0.00 H new ATOM 0 HA ILE B 44 18.779 -9.098 -6.464 1.00 0.00 H new ATOM 0 HB ILE B 44 17.678 -9.153 -9.297 1.00 0.00 H new ATOM 0 HG12 ILE B 44 19.042 -11.594 -8.288 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.423 -11.345 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE B 44 20.063 -9.710 -9.770 1.00 0.00 H new ATOM 0 HG22 ILE B 44 19.943 -8.200 -8.837 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.406 -9.713 -8.023 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.357 -12.612 -9.798 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.565 -11.030 -9.987 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.209 -11.283 -10.619 1.00 0.00 H new ATOM 1683 N VAL B 45 16.707 -7.001 -6.771 1.00 0.00 N ATOM 1684 CA VAL B 45 16.354 -5.557 -6.857 1.00 0.00 C ATOM 1685 C VAL B 45 17.613 -4.691 -6.982 1.00 0.00 C ATOM 1686 O VAL B 45 18.374 -4.543 -6.048 1.00 0.00 O ATOM 1687 CB VAL B 45 15.632 -5.273 -5.551 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.257 -5.946 -5.556 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.465 -5.799 -4.379 1.00 0.00 C ATOM 0 H VAL B 45 16.051 -7.565 -6.231 1.00 0.00 H new ATOM 0 HA VAL B 45 15.744 -5.329 -7.731 1.00 0.00 H new ATOM 0 HB VAL B 45 15.498 -4.197 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.746 -5.737 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.665 -5.558 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.379 -7.023 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL B 45 15.946 -5.594 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.608 -6.874 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.436 -5.303 -4.371 1.00 0.00 H new ATOM 1699 N ASN B 46 17.841 -4.128 -8.136 1.00 0.00 N ATOM 1700 CA ASN B 46 19.057 -3.286 -8.325 1.00 0.00 C ATOM 1701 C ASN B 46 19.043 -2.637 -9.712 1.00 0.00 C ATOM 1702 O ASN B 46 19.307 -3.276 -10.711 1.00 0.00 O ATOM 1703 CB ASN B 46 20.221 -4.267 -8.196 1.00 0.00 C ATOM 1704 CG ASN B 46 21.504 -3.622 -8.720 1.00 0.00 C ATOM 1705 OD1 ASN B 46 21.551 -2.430 -8.947 1.00 0.00 O ATOM 1706 ND2 ASN B 46 22.554 -4.369 -8.925 1.00 0.00 N ATOM 0 H ASN B 46 17.240 -4.214 -8.955 1.00 0.00 H new ATOM 0 HA ASN B 46 19.122 -2.472 -7.603 1.00 0.00 H new ATOM 0 HB2 ASN B 46 20.349 -4.558 -7.153 1.00 0.00 H new ATOM 0 HB3 ASN B 46 20.005 -5.177 -8.757 1.00 0.00 H new ATOM 0 HD21 ASN B 46 23.416 -3.952 -9.276 1.00 0.00 H new ATOM 0 HD22 ASN B 46 22.513 -5.370 -8.734 1.00 0.00 H new ATOM 1713 N ILE B 47 18.732 -1.371 -9.780 1.00 0.00 N ATOM 1714 CA ILE B 47 18.695 -0.677 -11.100 1.00 0.00 C ATOM 1715 C ILE B 47 20.075 -0.704 -11.760 1.00 0.00 C ATOM 1716 O ILE B 47 21.089 -0.528 -11.113 1.00 0.00 O ATOM 1717 CB ILE B 47 18.288 0.760 -10.779 1.00 0.00 C ATOM 1718 CG1 ILE B 47 18.339 1.599 -12.059 1.00 0.00 C ATOM 1719 CG2 ILE B 47 19.256 1.348 -9.750 1.00 0.00 C ATOM 1720 CD1 ILE B 47 17.103 1.306 -12.911 1.00 0.00 C ATOM 0 H ILE B 47 18.501 -0.786 -8.977 1.00 0.00 H new ATOM 0 HA ILE B 47 18.004 -1.156 -11.794 1.00 0.00 H new ATOM 0 HB ILE B 47 17.276 0.769 -10.374 1.00 0.00 H new ATOM 0 HG12 ILE B 47 18.379 2.659 -11.810 1.00 0.00 H new ATOM 0 HG13 ILE B 47 19.244 1.369 -12.621 1.00 0.00 H new ATOM 0 HG21 ILE B 47 18.965 2.373 -9.521 1.00 0.00 H new ATOM 0 HG22 ILE B 47 19.226 0.750 -8.839 1.00 0.00 H new ATOM 0 HG23 ILE B 47 20.268 1.340 -10.156 1.00 0.00 H new ATOM 0 HD11 ILE B 47 17.139 1.903 -13.822 1.00 0.00 H new ATOM 0 HD12 ILE B 47 17.083 0.248 -13.171 1.00 0.00 H new ATOM 0 HD13 ILE B 47 16.205 1.558 -12.348 1.00 0.00 H new ATOM 1732 N THR B 48 20.121 -0.916 -13.047 1.00 0.00 N ATOM 1733 CA THR B 48 21.433 -0.948 -13.753 1.00 0.00 C ATOM 1734 C THR B 48 22.021 0.465 -13.831 1.00 0.00 C ATOM 1735 O THR B 48 22.164 1.029 -14.897 1.00 0.00 O ATOM 1736 CB THR B 48 21.113 -1.472 -15.155 1.00 0.00 C ATOM 1737 OG1 THR B 48 19.899 -2.210 -15.117 1.00 0.00 O ATOM 1738 CG2 THR B 48 22.248 -2.378 -15.635 1.00 0.00 C ATOM 0 H THR B 48 19.306 -1.069 -13.641 1.00 0.00 H new ATOM 0 HA THR B 48 22.166 -1.572 -13.241 1.00 0.00 H new ATOM 0 HB THR B 48 21.007 -0.632 -15.842 1.00 0.00 H new ATOM 0 HG1 THR B 48 19.692 -2.545 -16.014 1.00 0.00 H new ATOM 0 HG21 THR B 48 22.019 -2.750 -16.633 1.00 0.00 H new ATOM 0 HG22 THR B 48 23.179 -1.811 -15.664 1.00 0.00 H new ATOM 0 HG23 THR B 48 22.357 -3.219 -14.950 1.00 0.00 H new ATOM 1746 N SER B 49 22.357 1.044 -12.709 1.00 0.00 N ATOM 1747 CA SER B 49 22.928 2.423 -12.727 1.00 0.00 C ATOM 1748 C SER B 49 24.425 2.396 -12.381 1.00 0.00 C ATOM 1749 O SER B 49 25.245 2.007 -13.190 1.00 0.00 O ATOM 1750 CB SER B 49 22.133 3.192 -11.671 1.00 0.00 C ATOM 1751 OG SER B 49 22.682 4.495 -11.526 1.00 0.00 O ATOM 0 H SER B 49 22.261 0.624 -11.784 1.00 0.00 H new ATOM 0 HA SER B 49 22.852 2.888 -13.710 1.00 0.00 H new ATOM 0 HB2 SER B 49 21.085 3.257 -11.964 1.00 0.00 H new ATOM 0 HB3 SER B 49 22.165 2.663 -10.718 1.00 0.00 H new ATOM 0 HG SER B 49 22.173 4.991 -10.851 1.00 0.00 H new ATOM 1757 N GLN B 50 24.793 2.812 -11.195 1.00 0.00 N ATOM 1758 CA GLN B 50 26.239 2.813 -10.823 1.00 0.00 C ATOM 1759 C GLN B 50 26.742 1.382 -10.608 1.00 0.00 C ATOM 1760 O GLN B 50 26.189 0.628 -9.832 1.00 0.00 O ATOM 1761 CB GLN B 50 26.313 3.609 -9.518 1.00 0.00 C ATOM 1762 CG GLN B 50 27.729 4.158 -9.331 1.00 0.00 C ATOM 1763 CD GLN B 50 28.114 4.084 -7.852 1.00 0.00 C ATOM 1764 OE1 GLN B 50 28.617 5.040 -7.295 1.00 0.00 O ATOM 1765 NE2 GLN B 50 27.900 2.980 -7.188 1.00 0.00 N ATOM 0 H GLN B 50 24.157 3.149 -10.472 1.00 0.00 H new ATOM 0 HA GLN B 50 26.861 3.249 -11.605 1.00 0.00 H new ATOM 0 HB2 GLN B 50 25.594 4.428 -9.539 1.00 0.00 H new ATOM 0 HB3 GLN B 50 26.045 2.971 -8.676 1.00 0.00 H new ATOM 0 HG2 GLN B 50 28.435 3.584 -9.931 1.00 0.00 H new ATOM 0 HG3 GLN B 50 27.780 5.189 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN B 50 27.478 2.178 -7.655 1.00 0.00 H new ATOM 0 HE22 GLN B 50 28.155 2.920 -6.202 1.00 0.00 H new ATOM 1774 N VAL B 51 27.793 1.008 -11.284 1.00 0.00 N ATOM 1775 CA VAL B 51 28.343 -0.367 -11.115 1.00 0.00 C ATOM 1776 C VAL B 51 29.699 -0.297 -10.407 1.00 0.00 C ATOM 1777 O VAL B 51 30.381 0.706 -10.459 1.00 0.00 O ATOM 1778 CB VAL B 51 28.503 -0.908 -12.536 1.00 0.00 C ATOM 1779 CG1 VAL B 51 29.173 -2.284 -12.487 1.00 0.00 C ATOM 1780 CG2 VAL B 51 27.125 -1.036 -13.191 1.00 0.00 C ATOM 0 H VAL B 51 28.296 1.597 -11.948 1.00 0.00 H new ATOM 0 HA VAL B 51 27.697 -1.005 -10.512 1.00 0.00 H new ATOM 0 HB VAL B 51 29.121 -0.223 -13.117 1.00 0.00 H new ATOM 0 HG11 VAL B 51 29.287 -2.669 -13.500 1.00 0.00 H new ATOM 0 HG12 VAL B 51 30.154 -2.195 -12.020 1.00 0.00 H new ATOM 0 HG13 VAL B 51 28.556 -2.969 -11.906 1.00 0.00 H new ATOM 0 HG21 VAL B 51 27.238 -1.422 -14.204 1.00 0.00 H new ATOM 0 HG22 VAL B 51 26.508 -1.720 -12.609 1.00 0.00 H new ATOM 0 HG23 VAL B 51 26.647 -0.057 -13.227 1.00 0.00 H new ATOM 1790 N GLN B 52 30.095 -1.346 -9.742 1.00 0.00 N ATOM 1791 CA GLN B 52 31.406 -1.319 -9.031 1.00 0.00 C ATOM 1792 C GLN B 52 32.268 -2.514 -9.443 1.00 0.00 C ATOM 1793 O GLN B 52 31.845 -3.373 -10.191 1.00 0.00 O ATOM 1794 CB GLN B 52 31.054 -1.400 -7.545 1.00 0.00 C ATOM 1795 CG GLN B 52 29.950 -0.390 -7.225 1.00 0.00 C ATOM 1796 CD GLN B 52 29.402 -0.659 -5.822 1.00 0.00 C ATOM 1797 OE1 GLN B 52 28.213 -0.564 -5.593 1.00 0.00 O ATOM 1798 NE2 GLN B 52 30.225 -0.994 -4.866 1.00 0.00 N ATOM 0 H GLN B 52 29.571 -2.217 -9.659 1.00 0.00 H new ATOM 0 HA GLN B 52 31.980 -0.423 -9.268 1.00 0.00 H new ATOM 0 HB2 GLN B 52 30.723 -2.408 -7.293 1.00 0.00 H new ATOM 0 HB3 GLN B 52 31.937 -1.194 -6.940 1.00 0.00 H new ATOM 0 HG2 GLN B 52 30.343 0.625 -7.285 1.00 0.00 H new ATOM 0 HG3 GLN B 52 29.149 -0.466 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN B 52 31.224 -1.074 -5.058 1.00 0.00 H new ATOM 0 HE22 GLN B 52 29.869 -1.176 -3.927 1.00 0.00 H new ATOM 1807 N THR B 53 33.476 -2.572 -8.955 1.00 0.00 N ATOM 1808 CA THR B 53 34.375 -3.707 -9.308 1.00 0.00 C ATOM 1809 C THR B 53 35.130 -4.181 -8.063 1.00 0.00 C ATOM 1810 O THR B 53 35.318 -5.362 -7.851 1.00 0.00 O ATOM 1811 CB THR B 53 35.348 -3.135 -10.339 1.00 0.00 C ATOM 1812 OG1 THR B 53 36.289 -2.297 -9.682 1.00 0.00 O ATOM 1813 CG2 THR B 53 34.576 -2.321 -11.379 1.00 0.00 C ATOM 0 H THR B 53 33.881 -1.880 -8.325 1.00 0.00 H new ATOM 0 HA THR B 53 33.828 -4.565 -9.698 1.00 0.00 H new ATOM 0 HB THR B 53 35.871 -3.951 -10.838 1.00 0.00 H new ATOM 0 HG1 THR B 53 36.916 -1.930 -10.340 1.00 0.00 H new ATOM 0 HG21 THR B 53 35.272 -1.914 -12.113 1.00 0.00 H new ATOM 0 HG22 THR B 53 33.854 -2.964 -11.882 1.00 0.00 H new ATOM 0 HG23 THR B 53 34.051 -1.503 -10.885 1.00 0.00 H new ATOM 1821 N GLU B 54 35.560 -3.265 -7.239 1.00 0.00 N ATOM 1822 CA GLU B 54 36.302 -3.656 -6.006 1.00 0.00 C ATOM 1823 C GLU B 54 37.508 -4.529 -6.366 1.00 0.00 C ATOM 1824 O GLU B 54 37.366 -5.664 -6.773 1.00 0.00 O ATOM 1825 CB GLU B 54 35.294 -4.448 -5.173 1.00 0.00 C ATOM 1826 CG GLU B 54 35.280 -3.908 -3.742 1.00 0.00 C ATOM 1827 CD GLU B 54 34.505 -4.870 -2.840 1.00 0.00 C ATOM 1828 OE1 GLU B 54 34.824 -6.048 -2.850 1.00 0.00 O ATOM 1829 OE2 GLU B 54 33.607 -4.412 -2.151 1.00 0.00 O ATOM 0 H GLU B 54 35.430 -2.261 -7.366 1.00 0.00 H new ATOM 0 HA GLU B 54 36.689 -2.792 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU B 54 34.300 -4.368 -5.613 1.00 0.00 H new ATOM 0 HB3 GLU B 54 35.558 -5.506 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU B 54 36.300 -3.792 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU B 54 34.819 -2.921 -3.719 1.00 0.00 H new ATOM 1836 N ARG B 55 38.693 -4.005 -6.221 1.00 0.00 N ATOM 1837 CA ARG B 55 39.907 -4.805 -6.557 1.00 0.00 C ATOM 1838 C ARG B 55 40.031 -6.007 -5.619 1.00 0.00 C ATOM 1839 O ARG B 55 39.184 -6.245 -4.781 1.00 0.00 O ATOM 1840 CB ARG B 55 41.081 -3.847 -6.356 1.00 0.00 C ATOM 1841 CG ARG B 55 42.002 -3.909 -7.576 1.00 0.00 C ATOM 1842 CD ARG B 55 43.398 -4.360 -7.142 1.00 0.00 C ATOM 1843 NE ARG B 55 44.295 -3.221 -7.482 1.00 0.00 N ATOM 1844 CZ ARG B 55 44.615 -2.991 -8.726 1.00 0.00 C ATOM 1845 NH1 ARG B 55 45.520 -3.725 -9.315 1.00 0.00 N ATOM 1846 NH2 ARG B 55 44.030 -2.027 -9.382 1.00 0.00 N ATOM 0 H ARG B 55 38.875 -3.059 -5.885 1.00 0.00 H new ATOM 0 HA ARG B 55 39.870 -5.200 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG B 55 40.715 -2.830 -6.214 1.00 0.00 H new ATOM 0 HB3 ARG B 55 41.633 -4.115 -5.455 1.00 0.00 H new ATOM 0 HG2 ARG B 55 41.598 -4.602 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG B 55 42.057 -2.931 -8.053 1.00 0.00 H new ATOM 0 HD2 ARG B 55 43.427 -4.580 -6.075 1.00 0.00 H new ATOM 0 HD3 ARG B 55 43.699 -5.269 -7.664 1.00 0.00 H new ATOM 0 HE ARG B 55 44.659 -2.620 -6.742 1.00 0.00 H new ATOM 0 HH11 ARG B 55 45.978 -4.479 -8.803 1.00 0.00 H new ATOM 0 HH12 ARG B 55 45.769 -3.544 -10.287 1.00 0.00 H new ATOM 0 HH21 ARG B 55 43.323 -1.453 -8.923 1.00 0.00 H new ATOM 0 HH22 ARG B 55 44.280 -1.847 -10.354 1.00 0.00 H new ATOM 1860 N ASN B 56 41.085 -6.765 -5.752 1.00 0.00 N ATOM 1861 CA ASN B 56 41.270 -7.952 -4.869 1.00 0.00 C ATOM 1862 C ASN B 56 42.741 -8.374 -4.857 1.00 0.00 C ATOM 1863 O ASN B 56 43.611 -7.641 -5.282 1.00 0.00 O ATOM 1864 CB ASN B 56 40.402 -9.047 -5.489 1.00 0.00 C ATOM 1865 CG ASN B 56 40.621 -9.080 -7.002 1.00 0.00 C ATOM 1866 OD1 ASN B 56 41.523 -9.738 -7.484 1.00 0.00 O ATOM 1867 ND2 ASN B 56 39.829 -8.395 -7.779 1.00 0.00 N ATOM 0 H ASN B 56 41.827 -6.613 -6.435 1.00 0.00 H new ATOM 0 HA ASN B 56 40.989 -7.748 -3.836 1.00 0.00 H new ATOM 0 HB2 ASN B 56 40.653 -10.014 -5.054 1.00 0.00 H new ATOM 0 HB3 ASN B 56 39.351 -8.861 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN B 56 39.966 -8.412 -8.790 1.00 0.00 H new ATOM 0 HD22 ASN B 56 39.072 -7.843 -7.376 1.00 0.00 H new ATOM 1874 N ILE B 57 43.024 -9.551 -4.372 1.00 0.00 N ATOM 1875 CA ILE B 57 44.439 -10.018 -4.334 1.00 0.00 C ATOM 1876 C ILE B 57 44.813 -10.686 -5.660 1.00 0.00 C ATOM 1877 O ILE B 57 44.102 -10.584 -6.640 1.00 0.00 O ATOM 1878 CB ILE B 57 44.490 -11.031 -3.190 1.00 0.00 C ATOM 1879 CG1 ILE B 57 43.527 -12.183 -3.485 1.00 0.00 C ATOM 1880 CG2 ILE B 57 44.079 -10.349 -1.884 1.00 0.00 C ATOM 1881 CD1 ILE B 57 44.326 -13.456 -3.767 1.00 0.00 C ATOM 0 H ILE B 57 42.339 -10.209 -4.001 1.00 0.00 H new ATOM 0 HA ILE B 57 45.141 -9.197 -4.184 1.00 0.00 H new ATOM 0 HB ILE B 57 45.504 -11.418 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE B 57 42.860 -12.340 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE B 57 42.900 -11.937 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE B 57 44.116 -11.072 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE B 57 44.763 -9.528 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE B 57 43.065 -9.961 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE B 57 43.640 -14.277 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE B 57 44.974 -13.295 -4.628 1.00 0.00 H new ATOM 0 HD13 ILE B 57 44.934 -13.705 -2.897 1.00 0.00 H new ATOM 1893 N ASN B 58 45.924 -11.369 -5.698 1.00 0.00 N ATOM 1894 CA ASN B 58 46.342 -12.042 -6.960 1.00 0.00 C ATOM 1895 C ASN B 58 47.191 -13.276 -6.644 1.00 0.00 C ATOM 1896 O ASN B 58 47.970 -13.283 -5.712 1.00 0.00 O ATOM 1897 CB ASN B 58 47.172 -11.000 -7.709 1.00 0.00 C ATOM 1898 CG ASN B 58 46.578 -10.781 -9.101 1.00 0.00 C ATOM 1899 OD1 ASN B 58 45.406 -10.487 -9.235 1.00 0.00 O ATOM 1900 ND2 ASN B 58 47.342 -10.913 -10.151 1.00 0.00 N ATOM 0 H ASN B 58 46.560 -11.490 -4.910 1.00 0.00 H new ATOM 0 HA ASN B 58 45.490 -12.383 -7.547 1.00 0.00 H new ATOM 0 HB2 ASN B 58 47.183 -10.061 -7.155 1.00 0.00 H new ATOM 0 HB3 ASN B 58 48.206 -11.334 -7.792 1.00 0.00 H new ATOM 0 HD21 ASN B 58 46.956 -10.769 -11.084 1.00 0.00 H new ATOM 0 HD22 ASN B 58 48.325 -11.160 -10.038 1.00 0.00 H new ATOM 1907 N ARG B 59 47.048 -14.319 -7.414 1.00 0.00 N ATOM 1908 CA ARG B 59 47.850 -15.549 -7.155 1.00 0.00 C ATOM 1909 C ARG B 59 49.197 -15.461 -7.875 1.00 0.00 C ATOM 1910 O ARG B 59 49.262 -15.389 -9.086 1.00 0.00 O ATOM 1911 CB ARG B 59 47.013 -16.696 -7.722 1.00 0.00 C ATOM 1912 CG ARG B 59 46.568 -17.613 -6.582 1.00 0.00 C ATOM 1913 CD ARG B 59 47.671 -18.631 -6.283 1.00 0.00 C ATOM 1914 NE ARG B 59 47.097 -19.945 -6.684 1.00 0.00 N ATOM 1915 CZ ARG B 59 47.842 -21.016 -6.672 1.00 0.00 C ATOM 1916 NH1 ARG B 59 48.734 -21.180 -5.734 1.00 0.00 N ATOM 1917 NH2 ARG B 59 47.694 -21.923 -7.598 1.00 0.00 N ATOM 0 H ARG B 59 46.412 -14.374 -8.210 1.00 0.00 H new ATOM 0 HA ARG B 59 48.064 -15.687 -6.095 1.00 0.00 H new ATOM 0 HB2 ARG B 59 46.143 -16.301 -8.246 1.00 0.00 H new ATOM 0 HB3 ARG B 59 47.595 -17.260 -8.451 1.00 0.00 H new ATOM 0 HG2 ARG B 59 46.352 -17.024 -5.691 1.00 0.00 H new ATOM 0 HG3 ARG B 59 45.647 -18.129 -6.855 1.00 0.00 H new ATOM 0 HD2 ARG B 59 48.578 -18.408 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG B 59 47.940 -18.623 -5.227 1.00 0.00 H new ATOM 0 HE ARG B 59 46.120 -20.008 -6.969 1.00 0.00 H new ATOM 0 HH11 ARG B 59 48.849 -20.471 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG B 59 49.316 -22.017 -5.725 1.00 0.00 H new ATOM 0 HH21 ARG B 59 46.996 -21.795 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG B 59 48.276 -22.761 -7.589 1.00 0.00 H new ATOM 1931 N ALA B 60 50.274 -15.466 -7.138 1.00 0.00 N ATOM 1932 CA ALA B 60 51.616 -15.381 -7.781 1.00 0.00 C ATOM 1933 C ALA B 60 52.714 -15.672 -6.754 1.00 0.00 C ATOM 1934 O ALA B 60 53.848 -15.857 -7.163 1.00 0.00 O ATOM 1935 CB ALA B 60 51.721 -13.942 -8.287 1.00 0.00 C ATOM 1936 OXT ALA B 60 52.401 -15.706 -5.575 1.00 0.00 O ATOM 0 H ALA B 60 50.283 -15.525 -6.120 1.00 0.00 H new ATOM 0 HA ALA B 60 51.736 -16.106 -8.586 1.00 0.00 H new ATOM 0 HB1 ALA B 60 52.685 -13.797 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA B 60 50.920 -13.748 -9.000 1.00 0.00 H new ATOM 0 HB3 ALA B 60 51.633 -13.253 -7.447 1.00 0.00 H new TER 1942 ALA B 60