USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 850 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 95 GLN : amide:sc= -3.84! C(o=-3.4!,f=-11!) USER MOD Set 1.2: A 102 THR OG1 : rot 50:sc= 0.476 USER MOD Set 2.1: A 22 SER OG : rot 30:sc= 0.0323 USER MOD Set 2.2: A 77 THR OG1 : rot 13:sc= -0.23! USER MOD Set 3.1: A 39 ASN : amide:sc= -0.912! C(o=-1.3!,f=-5.6!) USER MOD Set 3.2: A 41 TYR OH : rot 180:sc= -0.342 USER MOD Set 4.1: A 31 HIS : no HD1:sc= -0.221 K(o=-7,f=-11!) USER MOD Set 4.2: A 33 ASN : amide:sc= -4.12! C(o=-7!,f=-3.7!) USER MOD Set 4.3: A 35 ASN : amide:sc= -2.68! K(o=-7!,f=-3.7) USER MOD Set 4.4: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 4 MET CE :methyl -144:sc= -0.273 (180deg=-0.735) USER MOD Set 5.2: A 25 SER OG : rot -35:sc= -1.24 USER MOD Set 6.1: A 6 GLN : amide:sc= -2.05! C(o=-3!,f=-10!) USER MOD Set 6.2: A 107 THR OG1 : rot -71:sc= -0.973 USER MOD Single : A 1 ASP N :NH3+ 160:sc= 0.498 (180deg=0.312) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00657 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.285 USER MOD Single : A 18 GLN : amide:sc= -0.746 K(o=-0.75,f=0) USER MOD Single : A 20 SER OG : rot 55:sc= 0.645 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0795 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 36 THR OG1 : rot 160:sc= -0.595 USER MOD Single : A 43 GLN : amide:sc= 0.587 K(o=0.59,f=-4!) USER MOD Single : A 44 LYS NZ :NH3+ -116:sc= 0.406 (180deg=0.0126) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.169) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.101 USER MOD Single : A 58 ASN : amide:sc= -1.5! K(o=-1.5!,f=0.037) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.00837 USER MOD Single : A 72 SER OG : rot 180:sc= 0.127 USER MOD Single : A 74 THR OG1 : rot 62:sc= 0.521 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 99:sc= -0.958 USER MOD Single : A 94 SER OG : rot 167:sc= -1.32! USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 97 THR OG1 : rot -155:sc= 0.382 USER MOD Single : A 98 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-0.26) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -124:sc= -0.956! (180deg=-5.06!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.563 2.467 0.038 1.00 0.00 N ATOM 2 CA ASP A 1 0.753 1.418 -0.996 1.00 0.00 C ATOM 3 C ASP A 1 0.168 1.870 -2.314 1.00 0.00 C ATOM 4 O ASP A 1 -0.860 2.518 -2.357 1.00 0.00 O ATOM 5 CB ASP A 1 0.066 0.121 -0.552 1.00 0.00 C ATOM 6 CG ASP A 1 0.873 -0.498 0.589 1.00 0.00 C ATOM 7 OD1 ASP A 1 0.949 0.161 1.612 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.372 -1.589 0.371 1.00 0.00 O ATOM 0 H1 ASP A 1 0.648 2.042 0.983 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.289 3.203 -0.077 1.00 0.00 H new ATOM 0 H3 ASP A 1 -0.381 2.892 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 1 1.821 1.241 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -0.953 0.327 -0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.002 -0.576 -1.388 1.00 0.00 H new ATOM 15 N VAL A 2 0.843 1.518 -3.372 1.00 0.00 N ATOM 16 CA VAL A 2 0.349 1.919 -4.701 1.00 0.00 C ATOM 17 C VAL A 2 -0.663 0.908 -5.243 1.00 0.00 C ATOM 18 O VAL A 2 -0.377 -0.268 -5.354 1.00 0.00 O ATOM 19 CB VAL A 2 1.543 2.010 -5.660 1.00 0.00 C ATOM 20 CG1 VAL A 2 1.061 2.504 -7.027 1.00 0.00 C ATOM 21 CG2 VAL A 2 2.564 3.005 -5.101 1.00 0.00 C ATOM 0 H VAL A 2 1.706 0.975 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.150 2.884 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 2 2.002 1.027 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.908 2.569 -7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.325 1.806 -7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.606 3.488 -6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.415 3.073 -5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.099 3.986 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.906 2.665 -4.123 1.00 0.00 H new ATOM 31 N VAL A 3 -1.828 1.392 -5.577 1.00 0.00 N ATOM 32 CA VAL A 3 -2.878 0.483 -6.113 1.00 0.00 C ATOM 33 C VAL A 3 -2.566 0.042 -7.544 1.00 0.00 C ATOM 34 O VAL A 3 -2.141 0.832 -8.365 1.00 0.00 O ATOM 35 CB VAL A 3 -4.215 1.240 -6.117 1.00 0.00 C ATOM 36 CG1 VAL A 3 -5.348 0.260 -6.437 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.457 1.855 -4.735 1.00 0.00 C ATOM 0 H VAL A 3 -2.097 2.373 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.921 -0.405 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.185 2.029 -6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.299 0.792 -6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.178 -0.186 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.375 -0.525 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.405 2.392 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.489 1.064 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.649 2.547 -4.498 1.00 0.00 H new ATOM 47 N MET A 4 -2.780 -1.223 -7.803 1.00 0.00 N ATOM 48 CA MET A 4 -2.515 -1.769 -9.164 1.00 0.00 C ATOM 49 C MET A 4 -3.794 -2.403 -9.712 1.00 0.00 C ATOM 50 O MET A 4 -4.089 -3.551 -9.435 1.00 0.00 O ATOM 51 CB MET A 4 -1.427 -2.849 -9.057 1.00 0.00 C ATOM 52 CG MET A 4 -0.104 -2.198 -8.640 1.00 0.00 C ATOM 53 SD MET A 4 0.728 -1.148 -9.856 1.00 0.00 S ATOM 54 CE MET A 4 1.011 -2.416 -11.117 1.00 0.00 C ATOM 0 H MET A 4 -3.128 -1.902 -7.126 1.00 0.00 H new ATOM 0 HA MET A 4 -2.189 -0.969 -9.829 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.719 -3.604 -8.328 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.309 -3.358 -10.013 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.290 -1.599 -7.749 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.586 -2.991 -8.352 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.969 -2.237 -11.605 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.021 -3.400 -10.648 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.213 -2.376 -11.859 1.00 0.00 H new ATOM 64 N THR A 5 -4.529 -1.646 -10.478 1.00 0.00 N ATOM 65 CA THR A 5 -5.794 -2.189 -11.049 1.00 0.00 C ATOM 66 C THR A 5 -5.535 -3.083 -12.260 1.00 0.00 C ATOM 67 O THR A 5 -4.731 -2.763 -13.112 1.00 0.00 O ATOM 68 CB THR A 5 -6.668 -1.009 -11.491 1.00 0.00 C ATOM 69 OG1 THR A 5 -6.436 0.013 -10.538 1.00 0.00 O ATOM 70 CG2 THR A 5 -8.155 -1.347 -11.334 1.00 0.00 C ATOM 0 H THR A 5 -4.311 -0.682 -10.732 1.00 0.00 H new ATOM 0 HA THR A 5 -6.285 -2.790 -10.284 1.00 0.00 H new ATOM 0 HB THR A 5 -6.438 -0.748 -12.524 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.970 0.802 -10.768 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.757 -0.496 -11.653 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.398 -2.214 -11.948 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.369 -1.571 -10.289 1.00 0.00 H new ATOM 78 N GLN A 6 -6.233 -4.189 -12.310 1.00 0.00 N ATOM 79 CA GLN A 6 -6.055 -5.130 -13.452 1.00 0.00 C ATOM 80 C GLN A 6 -7.393 -5.403 -14.144 1.00 0.00 C ATOM 81 O GLN A 6 -8.436 -5.382 -13.520 1.00 0.00 O ATOM 82 CB GLN A 6 -5.497 -6.454 -12.907 1.00 0.00 C ATOM 83 CG GLN A 6 -5.514 -7.512 -14.019 1.00 0.00 C ATOM 84 CD GLN A 6 -4.504 -8.614 -13.696 1.00 0.00 C ATOM 85 OE1 GLN A 6 -4.844 -9.646 -13.160 1.00 0.00 O ATOM 86 NE2 GLN A 6 -3.254 -8.436 -14.007 1.00 0.00 N ATOM 0 H GLN A 6 -6.916 -4.479 -11.610 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.372 -4.687 -14.177 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -4.480 -6.310 -12.543 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -6.094 -6.792 -12.060 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.513 -7.937 -14.115 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.271 -7.051 -14.976 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.959 -7.570 -14.458 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.568 -9.162 -13.800 1.00 0.00 H new ATOM 95 N THR A 7 -7.330 -5.639 -15.426 1.00 0.00 N ATOM 96 CA THR A 7 -8.574 -5.918 -16.201 1.00 0.00 C ATOM 97 C THR A 7 -8.207 -6.566 -17.535 1.00 0.00 C ATOM 98 O THR A 7 -7.107 -6.403 -18.016 1.00 0.00 O ATOM 99 CB THR A 7 -9.299 -4.588 -16.490 1.00 0.00 C ATOM 100 OG1 THR A 7 -8.538 -3.579 -15.851 1.00 0.00 O ATOM 101 CG2 THR A 7 -10.666 -4.531 -15.788 1.00 0.00 C ATOM 0 H THR A 7 -6.469 -5.651 -15.972 1.00 0.00 H new ATOM 0 HA THR A 7 -9.217 -6.584 -15.625 1.00 0.00 H new ATOM 0 HB THR A 7 -9.416 -4.477 -17.568 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.957 -2.706 -16.005 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.151 -3.581 -16.012 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.292 -5.350 -16.143 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.526 -4.622 -14.711 1.00 0.00 H new ATOM 109 N PRO A 8 -9.135 -7.289 -18.111 1.00 0.00 N ATOM 110 CA PRO A 8 -10.468 -7.518 -17.531 1.00 0.00 C ATOM 111 C PRO A 8 -10.421 -8.584 -16.437 1.00 0.00 C ATOM 112 O PRO A 8 -9.377 -9.145 -16.152 1.00 0.00 O ATOM 113 CB PRO A 8 -11.306 -8.046 -18.712 1.00 0.00 C ATOM 114 CG PRO A 8 -10.334 -8.323 -19.887 1.00 0.00 C ATOM 115 CD PRO A 8 -8.931 -7.891 -19.440 1.00 0.00 C ATOM 0 HA PRO A 8 -10.870 -6.613 -17.076 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.835 -8.956 -18.430 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.061 -7.316 -19.003 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.343 -9.381 -20.150 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.640 -7.771 -20.775 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.251 -8.742 -19.390 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.495 -7.175 -20.137 1.00 0.00 H new ATOM 123 N LEU A 9 -11.551 -8.837 -15.840 1.00 0.00 N ATOM 124 CA LEU A 9 -11.589 -9.864 -14.768 1.00 0.00 C ATOM 125 C LEU A 9 -11.587 -11.263 -15.378 1.00 0.00 C ATOM 126 O LEU A 9 -11.024 -12.184 -14.827 1.00 0.00 O ATOM 127 CB LEU A 9 -12.873 -9.675 -13.953 1.00 0.00 C ATOM 128 CG LEU A 9 -12.546 -8.855 -12.703 1.00 0.00 C ATOM 129 CD1 LEU A 9 -12.425 -7.381 -13.093 1.00 0.00 C ATOM 130 CD2 LEU A 9 -13.671 -9.020 -11.681 1.00 0.00 C ATOM 0 H LEU A 9 -12.440 -8.382 -16.046 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.712 -9.754 -14.130 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.629 -9.166 -14.551 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.288 -10.643 -13.672 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.608 -9.200 -12.268 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.192 -6.788 -12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.629 -7.263 -13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.368 -7.039 -13.521 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.441 -8.437 -10.789 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.609 -8.669 -12.112 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.767 -10.072 -11.412 1.00 0.00 H new ATOM 142 N SER A 10 -12.225 -11.390 -16.513 1.00 0.00 N ATOM 143 CA SER A 10 -12.283 -12.713 -17.194 1.00 0.00 C ATOM 144 C SER A 10 -12.089 -12.540 -18.701 1.00 0.00 C ATOM 145 O SER A 10 -12.310 -11.468 -19.234 1.00 0.00 O ATOM 146 CB SER A 10 -13.663 -13.340 -16.926 1.00 0.00 C ATOM 147 OG SER A 10 -14.489 -12.870 -17.986 1.00 0.00 O ATOM 0 H SER A 10 -12.708 -10.633 -16.996 1.00 0.00 H new ATOM 0 HA SER A 10 -11.491 -13.357 -16.810 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.608 -14.429 -16.920 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.054 -13.035 -15.955 1.00 0.00 H new ATOM 0 HG SER A 10 -15.393 -13.233 -17.882 1.00 0.00 H new ATOM 153 N LEU A 11 -11.678 -13.589 -19.362 1.00 0.00 N ATOM 154 CA LEU A 11 -11.469 -13.481 -20.830 1.00 0.00 C ATOM 155 C LEU A 11 -11.814 -14.788 -21.551 1.00 0.00 C ATOM 156 O LEU A 11 -10.958 -15.616 -21.790 1.00 0.00 O ATOM 157 CB LEU A 11 -9.986 -13.163 -21.066 1.00 0.00 C ATOM 158 CG LEU A 11 -9.823 -12.474 -22.425 1.00 0.00 C ATOM 159 CD1 LEU A 11 -9.784 -10.959 -22.220 1.00 0.00 C ATOM 160 CD2 LEU A 11 -8.509 -12.925 -23.065 1.00 0.00 C ATOM 0 H LEU A 11 -11.481 -14.503 -18.954 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.121 -12.701 -21.224 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.610 -12.518 -20.272 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.397 -14.080 -21.038 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.659 -12.738 -23.072 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.668 -10.464 -23.184 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.713 -10.631 -21.753 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.943 -10.700 -21.576 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.389 -12.437 -24.032 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.676 -12.654 -22.416 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.524 -14.006 -23.203 1.00 0.00 H new ATOM 172 N PRO A 12 -13.075 -14.950 -21.874 1.00 0.00 N ATOM 173 CA PRO A 12 -13.544 -16.157 -22.573 1.00 0.00 C ATOM 174 C PRO A 12 -12.998 -16.189 -24.002 1.00 0.00 C ATOM 175 O PRO A 12 -13.416 -15.417 -24.844 1.00 0.00 O ATOM 176 CB PRO A 12 -15.076 -16.021 -22.599 1.00 0.00 C ATOM 177 CG PRO A 12 -15.432 -14.623 -22.030 1.00 0.00 C ATOM 178 CD PRO A 12 -14.127 -13.968 -21.550 1.00 0.00 C ATOM 0 HA PRO A 12 -13.214 -17.073 -22.082 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.453 -16.128 -23.616 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.540 -16.807 -22.003 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.909 -14.009 -22.794 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.140 -14.714 -21.206 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.951 -13.018 -22.055 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.158 -13.759 -20.481 1.00 0.00 H new ATOM 186 N VAL A 13 -12.080 -17.084 -24.249 1.00 0.00 N ATOM 187 CA VAL A 13 -11.495 -17.176 -25.620 1.00 0.00 C ATOM 188 C VAL A 13 -11.418 -18.617 -26.113 1.00 0.00 C ATOM 189 O VAL A 13 -11.738 -19.547 -25.401 1.00 0.00 O ATOM 190 CB VAL A 13 -10.059 -16.629 -25.575 1.00 0.00 C ATOM 191 CG1 VAL A 13 -10.041 -15.281 -24.850 1.00 0.00 C ATOM 192 CG2 VAL A 13 -9.164 -17.626 -24.823 1.00 0.00 C ATOM 0 H VAL A 13 -11.712 -17.750 -23.569 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.135 -16.606 -26.294 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.689 -16.494 -26.591 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.021 -14.897 -24.821 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.679 -14.574 -25.380 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.409 -15.410 -23.832 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.144 -17.244 -24.787 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.538 -17.757 -23.808 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.174 -18.586 -25.340 1.00 0.00 H new ATOM 202 N SER A 14 -10.982 -18.758 -27.335 1.00 0.00 N ATOM 203 CA SER A 14 -10.855 -20.110 -27.934 1.00 0.00 C ATOM 204 C SER A 14 -9.384 -20.511 -27.973 1.00 0.00 C ATOM 205 O SER A 14 -8.513 -19.692 -27.748 1.00 0.00 O ATOM 206 CB SER A 14 -11.392 -20.058 -29.370 1.00 0.00 C ATOM 207 OG SER A 14 -11.320 -21.405 -29.817 1.00 0.00 O ATOM 0 H SER A 14 -10.708 -17.988 -27.945 1.00 0.00 H new ATOM 0 HA SER A 14 -11.416 -20.833 -27.342 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.415 -19.683 -29.400 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.792 -19.398 -29.996 1.00 0.00 H new ATOM 0 HG SER A 14 -11.650 -21.462 -30.738 1.00 0.00 H new ATOM 213 N LEU A 15 -9.123 -21.753 -28.264 1.00 0.00 N ATOM 214 CA LEU A 15 -7.706 -22.197 -28.316 1.00 0.00 C ATOM 215 C LEU A 15 -7.084 -21.837 -29.659 1.00 0.00 C ATOM 216 O LEU A 15 -7.094 -22.616 -30.593 1.00 0.00 O ATOM 217 CB LEU A 15 -7.660 -23.712 -28.111 1.00 0.00 C ATOM 218 CG LEU A 15 -8.292 -24.047 -26.757 1.00 0.00 C ATOM 219 CD1 LEU A 15 -8.150 -25.543 -26.497 1.00 0.00 C ATOM 220 CD2 LEU A 15 -7.566 -23.278 -25.648 1.00 0.00 C ATOM 0 H LEU A 15 -9.819 -22.471 -28.465 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.139 -21.696 -27.532 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.197 -24.218 -28.913 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.630 -24.066 -28.144 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.345 -23.767 -26.768 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.598 -25.789 -25.534 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.657 -26.099 -27.286 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.094 -25.812 -26.485 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.016 -23.517 -24.685 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.514 -23.562 -25.637 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.651 -22.207 -25.832 1.00 0.00 H new ATOM 232 N GLY A 16 -6.555 -20.650 -29.713 1.00 0.00 N ATOM 233 CA GLY A 16 -5.912 -20.164 -30.968 1.00 0.00 C ATOM 234 C GLY A 16 -6.370 -18.734 -31.253 1.00 0.00 C ATOM 235 O GLY A 16 -6.829 -18.427 -32.335 1.00 0.00 O ATOM 0 H GLY A 16 -6.539 -19.988 -28.937 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.827 -20.197 -30.870 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.177 -20.815 -31.801 1.00 0.00 H new ATOM 239 N ASP A 17 -6.238 -17.893 -30.261 1.00 0.00 N ATOM 240 CA ASP A 17 -6.655 -16.475 -30.428 1.00 0.00 C ATOM 241 C ASP A 17 -5.693 -15.537 -29.697 1.00 0.00 C ATOM 242 O ASP A 17 -4.930 -15.965 -28.851 1.00 0.00 O ATOM 243 CB ASP A 17 -8.057 -16.320 -29.819 1.00 0.00 C ATOM 244 CG ASP A 17 -8.978 -15.640 -30.830 1.00 0.00 C ATOM 245 OD1 ASP A 17 -9.476 -16.360 -31.679 1.00 0.00 O ATOM 246 OD2 ASP A 17 -9.131 -14.437 -30.698 1.00 0.00 O ATOM 0 H ASP A 17 -5.859 -18.129 -29.344 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.652 -16.218 -31.487 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.457 -17.297 -29.546 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.005 -15.730 -28.904 1.00 0.00 H new ATOM 251 N GLN A 18 -5.748 -14.275 -30.036 1.00 0.00 N ATOM 252 CA GLN A 18 -4.844 -13.296 -29.370 1.00 0.00 C ATOM 253 C GLN A 18 -5.461 -12.805 -28.058 1.00 0.00 C ATOM 254 O GLN A 18 -6.657 -12.605 -27.969 1.00 0.00 O ATOM 255 CB GLN A 18 -4.647 -12.093 -30.306 1.00 0.00 C ATOM 256 CG GLN A 18 -3.466 -12.367 -31.250 1.00 0.00 C ATOM 257 CD GLN A 18 -3.425 -11.300 -32.352 1.00 0.00 C ATOM 258 OE1 GLN A 18 -2.867 -11.508 -33.410 1.00 0.00 O ATOM 259 NE2 GLN A 18 -3.997 -10.145 -32.146 1.00 0.00 N ATOM 0 H GLN A 18 -6.375 -13.884 -30.739 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.891 -13.779 -29.155 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.554 -11.915 -30.883 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.459 -11.192 -29.723 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.531 -12.361 -30.690 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.565 -13.358 -31.693 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.468 -9.960 -31.261 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.973 -9.427 -32.870 1.00 0.00 H new ATOM 268 N ALA A 19 -4.630 -12.617 -27.066 1.00 0.00 N ATOM 269 CA ALA A 19 -5.145 -12.140 -25.749 1.00 0.00 C ATOM 270 C ALA A 19 -4.472 -10.831 -25.337 1.00 0.00 C ATOM 271 O ALA A 19 -3.477 -10.435 -25.912 1.00 0.00 O ATOM 272 CB ALA A 19 -4.827 -13.211 -24.697 1.00 0.00 C ATOM 0 H ALA A 19 -3.623 -12.772 -27.110 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.218 -11.966 -25.828 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.194 -12.885 -23.724 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.312 -14.147 -24.973 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.749 -13.362 -24.646 1.00 0.00 H new ATOM 278 N SER A 20 -5.031 -10.183 -24.348 1.00 0.00 N ATOM 279 CA SER A 20 -4.439 -8.898 -23.883 1.00 0.00 C ATOM 280 C SER A 20 -4.952 -8.525 -22.488 1.00 0.00 C ATOM 281 O SER A 20 -6.001 -7.923 -22.350 1.00 0.00 O ATOM 282 CB SER A 20 -4.833 -7.794 -24.875 1.00 0.00 C ATOM 283 OG SER A 20 -6.231 -7.962 -25.052 1.00 0.00 O ATOM 0 H SER A 20 -5.866 -10.487 -23.847 1.00 0.00 H new ATOM 0 HA SER A 20 -3.356 -9.007 -23.831 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.598 -6.805 -24.483 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.298 -7.898 -25.819 1.00 0.00 H new ATOM 0 HG SER A 20 -6.677 -7.932 -24.180 1.00 0.00 H new ATOM 289 N ILE A 21 -4.201 -8.887 -21.479 1.00 0.00 N ATOM 290 CA ILE A 21 -4.633 -8.558 -20.089 1.00 0.00 C ATOM 291 C ILE A 21 -4.120 -7.176 -19.705 1.00 0.00 C ATOM 292 O ILE A 21 -2.931 -6.943 -19.648 1.00 0.00 O ATOM 293 CB ILE A 21 -4.042 -9.582 -19.122 1.00 0.00 C ATOM 294 CG1 ILE A 21 -4.319 -11.006 -19.616 1.00 0.00 C ATOM 295 CG2 ILE A 21 -4.712 -9.401 -17.752 1.00 0.00 C ATOM 296 CD1 ILE A 21 -3.024 -11.823 -19.577 1.00 0.00 C ATOM 0 H ILE A 21 -3.317 -9.390 -21.556 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.722 -8.576 -20.039 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.965 -9.431 -19.054 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.078 -11.478 -18.991 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.714 -10.979 -20.632 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.302 -10.125 -17.048 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.524 -8.392 -17.386 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.786 -9.558 -17.849 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.222 -12.836 -19.928 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.279 -11.355 -20.220 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.648 -11.861 -18.554 1.00 0.00 H new ATOM 308 N SER A 22 -5.030 -6.298 -19.432 1.00 0.00 N ATOM 309 CA SER A 22 -4.636 -4.913 -19.047 1.00 0.00 C ATOM 310 C SER A 22 -4.284 -4.796 -17.563 1.00 0.00 C ATOM 311 O SER A 22 -4.704 -5.592 -16.746 1.00 0.00 O ATOM 312 CB SER A 22 -5.817 -3.979 -19.350 1.00 0.00 C ATOM 313 OG SER A 22 -5.208 -2.789 -19.836 1.00 0.00 O ATOM 0 H SER A 22 -6.035 -6.473 -19.457 1.00 0.00 H new ATOM 0 HA SER A 22 -3.747 -4.642 -19.617 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.488 -4.414 -20.091 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.411 -3.786 -18.457 1.00 0.00 H new ATOM 0 HG SER A 22 -4.362 -3.011 -20.277 1.00 0.00 H new ATOM 319 N CYS A 23 -3.507 -3.789 -17.258 1.00 0.00 N ATOM 320 CA CYS A 23 -3.086 -3.555 -15.848 1.00 0.00 C ATOM 321 C CYS A 23 -2.575 -2.122 -15.680 1.00 0.00 C ATOM 322 O CYS A 23 -1.547 -1.768 -16.222 1.00 0.00 O ATOM 323 CB CYS A 23 -1.944 -4.526 -15.517 1.00 0.00 C ATOM 324 SG CYS A 23 -1.239 -4.443 -13.852 1.00 0.00 S ATOM 0 H CYS A 23 -3.144 -3.115 -17.932 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.936 -3.712 -15.184 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.307 -5.541 -15.679 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.139 -4.357 -16.233 1.00 0.00 H new ATOM 329 N ARG A 24 -3.297 -1.326 -14.938 1.00 0.00 N ATOM 330 CA ARG A 24 -2.857 0.083 -14.734 1.00 0.00 C ATOM 331 C ARG A 24 -2.587 0.369 -13.257 1.00 0.00 C ATOM 332 O ARG A 24 -3.263 -0.144 -12.385 1.00 0.00 O ATOM 333 CB ARG A 24 -3.972 1.011 -15.236 1.00 0.00 C ATOM 334 CG ARG A 24 -4.059 0.908 -16.764 1.00 0.00 C ATOM 335 CD ARG A 24 -5.312 1.641 -17.250 1.00 0.00 C ATOM 336 NE ARG A 24 -5.188 1.892 -18.718 1.00 0.00 N ATOM 337 CZ ARG A 24 -6.063 1.380 -19.533 1.00 0.00 C ATOM 338 NH1 ARG A 24 -7.231 1.938 -19.629 1.00 0.00 N ATOM 339 NH2 ARG A 24 -5.739 0.326 -20.220 1.00 0.00 N ATOM 0 H ARG A 24 -4.164 -1.587 -14.469 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.931 0.252 -15.284 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.925 0.733 -14.785 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.767 2.040 -14.939 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.170 1.342 -17.220 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.095 -0.138 -17.068 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.201 1.045 -17.043 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.429 2.584 -16.715 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.422 2.461 -19.079 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.449 2.763 -19.071 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.930 1.551 -20.263 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.812 -0.086 -20.115 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.412 -0.090 -20.864 1.00 0.00 H new ATOM 353 N SER A 25 -1.602 1.190 -13.007 1.00 0.00 N ATOM 354 CA SER A 25 -1.262 1.529 -11.596 1.00 0.00 C ATOM 355 C SER A 25 -1.740 2.933 -11.236 1.00 0.00 C ATOM 356 O SER A 25 -1.825 3.802 -12.082 1.00 0.00 O ATOM 357 CB SER A 25 0.266 1.477 -11.443 1.00 0.00 C ATOM 358 OG SER A 25 0.671 0.394 -12.272 1.00 0.00 O ATOM 0 H SER A 25 -1.021 1.638 -13.716 1.00 0.00 H new ATOM 0 HA SER A 25 -1.753 0.816 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.728 2.412 -11.758 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.555 1.312 -10.405 1.00 0.00 H new ATOM 0 HG SER A 25 -0.009 -0.311 -12.245 1.00 0.00 H new ATOM 364 N SER A 26 -2.036 3.129 -9.979 1.00 0.00 N ATOM 365 CA SER A 26 -2.509 4.469 -9.535 1.00 0.00 C ATOM 366 C SER A 26 -1.339 5.443 -9.398 1.00 0.00 C ATOM 367 O SER A 26 -1.519 6.585 -9.026 1.00 0.00 O ATOM 368 CB SER A 26 -3.189 4.310 -8.169 1.00 0.00 C ATOM 369 OG SER A 26 -4.546 4.036 -8.489 1.00 0.00 O ATOM 0 H SER A 26 -1.971 2.423 -9.246 1.00 0.00 H new ATOM 0 HA SER A 26 -3.204 4.867 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.743 3.499 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.096 5.215 -7.569 1.00 0.00 H new ATOM 0 HG SER A 26 -5.059 3.917 -7.663 1.00 0.00 H new ATOM 375 N GLN A 27 -0.160 4.966 -9.694 1.00 0.00 N ATOM 376 CA GLN A 27 1.039 5.835 -9.592 1.00 0.00 C ATOM 377 C GLN A 27 2.153 5.303 -10.494 1.00 0.00 C ATOM 378 O GLN A 27 2.426 4.119 -10.509 1.00 0.00 O ATOM 379 CB GLN A 27 1.520 5.822 -8.133 1.00 0.00 C ATOM 380 CG GLN A 27 2.852 6.572 -8.030 1.00 0.00 C ATOM 381 CD GLN A 27 2.697 7.766 -7.085 1.00 0.00 C ATOM 382 OE1 GLN A 27 1.896 8.649 -7.310 1.00 0.00 O ATOM 383 NE2 GLN A 27 3.442 7.832 -6.019 1.00 0.00 N ATOM 0 H GLN A 27 0.021 4.011 -10.002 1.00 0.00 H new ATOM 0 HA GLN A 27 0.787 6.848 -9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.776 6.290 -7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.640 4.795 -7.787 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.630 5.903 -7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.166 6.914 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.118 7.094 -5.823 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.350 8.622 -5.380 1.00 0.00 H new ATOM 392 N SER A 28 2.769 6.190 -11.232 1.00 0.00 N ATOM 393 CA SER A 28 3.869 5.756 -12.139 1.00 0.00 C ATOM 394 C SER A 28 4.952 5.011 -11.367 1.00 0.00 C ATOM 395 O SER A 28 5.499 5.524 -10.411 1.00 0.00 O ATOM 396 CB SER A 28 4.494 7.002 -12.776 1.00 0.00 C ATOM 397 OG SER A 28 5.246 6.492 -13.870 1.00 0.00 O ATOM 0 H SER A 28 2.559 7.188 -11.245 1.00 0.00 H new ATOM 0 HA SER A 28 3.457 5.089 -12.897 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.730 7.704 -13.110 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.130 7.535 -12.069 1.00 0.00 H new ATOM 0 HG SER A 28 5.683 7.233 -14.340 1.00 0.00 H new ATOM 403 N LEU A 29 5.242 3.814 -11.798 1.00 0.00 N ATOM 404 CA LEU A 29 6.289 3.018 -11.101 1.00 0.00 C ATOM 405 C LEU A 29 7.655 3.258 -11.741 1.00 0.00 C ATOM 406 O LEU A 29 8.501 2.384 -11.757 1.00 0.00 O ATOM 407 CB LEU A 29 5.936 1.529 -11.223 1.00 0.00 C ATOM 408 CG LEU A 29 4.447 1.324 -10.919 1.00 0.00 C ATOM 409 CD1 LEU A 29 3.967 0.041 -11.603 1.00 0.00 C ATOM 410 CD2 LEU A 29 4.254 1.193 -9.406 1.00 0.00 C ATOM 0 H LEU A 29 4.803 3.356 -12.597 1.00 0.00 H new ATOM 0 HA LEU A 29 6.331 3.319 -10.054 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.164 1.172 -12.227 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.542 0.944 -10.531 1.00 0.00 H new ATOM 0 HG LEU A 29 3.875 2.175 -11.289 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.909 -0.110 -11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.112 0.127 -12.680 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.538 -0.808 -11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.197 1.047 -9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.822 0.338 -9.039 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.605 2.100 -8.914 1.00 0.00 H new ATOM 422 N VAL A 30 7.840 4.444 -12.252 1.00 0.00 N ATOM 423 CA VAL A 30 9.136 4.774 -12.898 1.00 0.00 C ATOM 424 C VAL A 30 10.128 5.310 -11.870 1.00 0.00 C ATOM 425 O VAL A 30 9.909 6.346 -11.274 1.00 0.00 O ATOM 426 CB VAL A 30 8.883 5.858 -13.956 1.00 0.00 C ATOM 427 CG1 VAL A 30 10.217 6.299 -14.564 1.00 0.00 C ATOM 428 CG2 VAL A 30 7.992 5.287 -15.063 1.00 0.00 C ATOM 0 H VAL A 30 7.150 5.195 -12.249 1.00 0.00 H new ATOM 0 HA VAL A 30 9.553 3.874 -13.350 1.00 0.00 H new ATOM 0 HB VAL A 30 8.392 6.712 -13.490 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.038 7.068 -15.315 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.859 6.700 -13.780 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.705 5.443 -15.031 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.810 6.054 -15.816 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.489 4.434 -15.526 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.042 4.966 -14.636 1.00 0.00 H new ATOM 438 N HIS A 31 11.201 4.592 -11.678 1.00 0.00 N ATOM 439 CA HIS A 31 12.218 5.045 -10.692 1.00 0.00 C ATOM 440 C HIS A 31 12.900 6.325 -11.177 1.00 0.00 C ATOM 441 O HIS A 31 12.968 6.582 -12.364 1.00 0.00 O ATOM 442 CB HIS A 31 13.272 3.941 -10.542 1.00 0.00 C ATOM 443 CG HIS A 31 14.016 4.132 -9.221 1.00 0.00 C ATOM 444 ND1 HIS A 31 14.922 5.009 -9.020 1.00 0.00 N ATOM 445 CD2 HIS A 31 13.879 3.443 -8.035 1.00 0.00 C ATOM 446 CE1 HIS A 31 15.336 4.895 -7.804 1.00 0.00 C ATOM 447 NE2 HIS A 31 14.725 3.934 -7.132 1.00 0.00 N ATOM 0 H HIS A 31 11.415 3.718 -12.158 1.00 0.00 H new ATOM 0 HA HIS A 31 11.732 5.248 -9.738 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.795 2.961 -10.566 1.00 0.00 H new ATOM 0 HB3 HIS A 31 13.973 3.975 -11.376 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.190 2.629 -7.864 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.105 5.522 -7.377 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.866 3.642 -6.165 1.00 0.00 H new ATOM 454 N SER A 32 13.396 7.099 -10.249 1.00 0.00 N ATOM 455 CA SER A 32 14.077 8.366 -10.636 1.00 0.00 C ATOM 456 C SER A 32 15.281 8.100 -11.537 1.00 0.00 C ATOM 457 O SER A 32 15.612 8.907 -12.383 1.00 0.00 O ATOM 458 CB SER A 32 14.562 9.066 -9.360 1.00 0.00 C ATOM 459 OG SER A 32 13.455 8.978 -8.474 1.00 0.00 O ATOM 0 H SER A 32 13.359 6.910 -9.247 1.00 0.00 H new ATOM 0 HA SER A 32 13.369 8.988 -11.184 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.443 8.575 -8.947 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.836 10.103 -9.554 1.00 0.00 H new ATOM 0 HG SER A 32 13.683 9.405 -7.622 1.00 0.00 H new ATOM 465 N ASN A 33 15.914 6.972 -11.343 1.00 0.00 N ATOM 466 CA ASN A 33 17.098 6.648 -12.187 1.00 0.00 C ATOM 467 C ASN A 33 16.670 6.204 -13.590 1.00 0.00 C ATOM 468 O ASN A 33 17.500 5.925 -14.433 1.00 0.00 O ATOM 469 CB ASN A 33 17.886 5.516 -11.504 1.00 0.00 C ATOM 470 CG ASN A 33 17.258 4.160 -11.838 1.00 0.00 C ATOM 471 OD1 ASN A 33 16.388 3.677 -11.146 1.00 0.00 O ATOM 472 ND2 ASN A 33 17.672 3.515 -12.890 1.00 0.00 N ATOM 0 H ASN A 33 15.665 6.270 -10.646 1.00 0.00 H new ATOM 0 HA ASN A 33 17.718 7.539 -12.292 1.00 0.00 H new ATOM 0 HB2 ASN A 33 18.925 5.535 -11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.892 5.667 -10.424 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.265 2.610 -13.127 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.404 3.914 -13.478 1.00 0.00 H new ATOM 479 N GLY A 34 15.381 6.151 -13.809 1.00 0.00 N ATOM 480 CA GLY A 34 14.871 5.730 -15.150 1.00 0.00 C ATOM 481 C GLY A 34 14.717 4.209 -15.219 1.00 0.00 C ATOM 482 O GLY A 34 15.185 3.579 -16.147 1.00 0.00 O ATOM 0 H GLY A 34 14.663 6.380 -13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.910 6.207 -15.345 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.557 6.066 -15.927 1.00 0.00 H new ATOM 486 N ASN A 35 14.059 3.651 -14.237 1.00 0.00 N ATOM 487 CA ASN A 35 13.864 2.173 -14.228 1.00 0.00 C ATOM 488 C ASN A 35 12.480 1.804 -13.700 1.00 0.00 C ATOM 489 O ASN A 35 12.130 2.133 -12.586 1.00 0.00 O ATOM 490 CB ASN A 35 14.924 1.550 -13.307 1.00 0.00 C ATOM 491 CG ASN A 35 16.047 0.945 -14.151 1.00 0.00 C ATOM 492 OD1 ASN A 35 16.323 -0.234 -14.079 1.00 0.00 O ATOM 493 ND2 ASN A 35 16.716 1.711 -14.964 1.00 0.00 N ATOM 0 H ASN A 35 13.651 4.151 -13.447 1.00 0.00 H new ATOM 0 HA ASN A 35 13.957 1.799 -15.248 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.328 2.308 -12.636 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.470 0.781 -12.682 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.465 1.319 -15.534 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.491 2.704 -15.031 1.00 0.00 H new ATOM 500 N THR A 36 11.721 1.124 -14.515 1.00 0.00 N ATOM 501 CA THR A 36 10.353 0.717 -14.088 1.00 0.00 C ATOM 502 C THR A 36 10.337 -0.766 -13.722 1.00 0.00 C ATOM 503 O THR A 36 10.338 -1.626 -14.583 1.00 0.00 O ATOM 504 CB THR A 36 9.397 0.963 -15.258 1.00 0.00 C ATOM 505 OG1 THR A 36 9.492 2.353 -15.524 1.00 0.00 O ATOM 506 CG2 THR A 36 7.939 0.753 -14.831 1.00 0.00 C ATOM 0 H THR A 36 11.988 0.833 -15.456 1.00 0.00 H new ATOM 0 HA THR A 36 10.048 1.295 -13.215 1.00 0.00 H new ATOM 0 HB THR A 36 9.648 0.301 -16.087 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.174 2.535 -16.433 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.281 0.934 -15.681 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.806 -0.271 -14.481 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.692 1.446 -14.027 1.00 0.00 H new ATOM 514 N TYR A 37 10.325 -1.037 -12.445 1.00 0.00 N ATOM 515 CA TYR A 37 10.312 -2.455 -11.992 1.00 0.00 C ATOM 516 C TYR A 37 8.904 -3.055 -12.023 1.00 0.00 C ATOM 517 O TYR A 37 8.121 -2.864 -11.112 1.00 0.00 O ATOM 518 CB TYR A 37 10.845 -2.486 -10.554 1.00 0.00 C ATOM 519 CG TYR A 37 12.208 -1.789 -10.508 1.00 0.00 C ATOM 520 CD1 TYR A 37 13.285 -2.312 -11.193 1.00 0.00 C ATOM 521 CD2 TYR A 37 12.377 -0.626 -9.783 1.00 0.00 C ATOM 522 CE1 TYR A 37 14.513 -1.683 -11.155 1.00 0.00 C ATOM 523 CE2 TYR A 37 13.606 0.003 -9.745 1.00 0.00 C ATOM 524 CZ TYR A 37 14.683 -0.521 -10.431 1.00 0.00 C ATOM 525 OH TYR A 37 15.911 0.107 -10.390 1.00 0.00 O ATOM 0 H TYR A 37 10.324 -0.341 -11.700 1.00 0.00 H new ATOM 0 HA TYR A 37 10.931 -3.048 -12.665 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.145 -1.988 -9.883 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.938 -3.516 -10.210 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.166 -3.221 -11.764 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.542 -0.205 -9.242 1.00 0.00 H new ATOM 0 HE1 TYR A 37 15.347 -2.104 -11.696 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.725 0.912 -9.174 1.00 0.00 H new ATOM 0 HH TYR A 37 15.848 0.912 -9.834 1.00 0.00 H new ATOM 535 N LEU A 38 8.616 -3.777 -13.073 1.00 0.00 N ATOM 536 CA LEU A 38 7.272 -4.406 -13.198 1.00 0.00 C ATOM 537 C LEU A 38 7.366 -5.735 -13.944 1.00 0.00 C ATOM 538 O LEU A 38 8.075 -5.848 -14.929 1.00 0.00 O ATOM 539 CB LEU A 38 6.361 -3.461 -13.992 1.00 0.00 C ATOM 540 CG LEU A 38 4.932 -4.022 -13.996 1.00 0.00 C ATOM 541 CD1 LEU A 38 3.943 -2.883 -13.737 1.00 0.00 C ATOM 542 CD2 LEU A 38 4.630 -4.646 -15.363 1.00 0.00 C ATOM 0 H LEU A 38 9.254 -3.957 -13.848 1.00 0.00 H new ATOM 0 HA LEU A 38 6.872 -4.588 -12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.373 -2.466 -13.547 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.727 -3.357 -15.014 1.00 0.00 H new ATOM 0 HG LEU A 38 4.837 -4.780 -13.219 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.926 -3.276 -13.739 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.155 -2.430 -12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.042 -2.130 -14.519 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.615 -5.044 -15.365 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.723 -3.886 -16.139 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.337 -5.453 -15.559 1.00 0.00 H new ATOM 554 N ASN A 39 6.650 -6.715 -13.459 1.00 0.00 N ATOM 555 CA ASN A 39 6.680 -8.046 -14.124 1.00 0.00 C ATOM 556 C ASN A 39 5.290 -8.684 -14.153 1.00 0.00 C ATOM 557 O ASN A 39 4.345 -8.166 -13.587 1.00 0.00 O ATOM 558 CB ASN A 39 7.654 -8.968 -13.367 1.00 0.00 C ATOM 559 CG ASN A 39 7.463 -8.833 -11.855 1.00 0.00 C ATOM 560 OD1 ASN A 39 6.728 -7.997 -11.370 1.00 0.00 O ATOM 561 ND2 ASN A 39 8.116 -9.641 -11.071 1.00 0.00 N ATOM 0 H ASN A 39 6.050 -6.650 -12.637 1.00 0.00 H new ATOM 0 HA ASN A 39 7.012 -7.910 -15.153 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.491 -10.003 -13.668 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.681 -8.717 -13.633 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.008 -9.568 -10.059 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.736 -10.347 -11.468 1.00 0.00 H new ATOM 568 N TRP A 40 5.206 -9.805 -14.813 1.00 0.00 N ATOM 569 CA TRP A 40 3.911 -10.521 -14.917 1.00 0.00 C ATOM 570 C TRP A 40 4.019 -11.943 -14.371 1.00 0.00 C ATOM 571 O TRP A 40 5.058 -12.572 -14.460 1.00 0.00 O ATOM 572 CB TRP A 40 3.560 -10.600 -16.407 1.00 0.00 C ATOM 573 CG TRP A 40 3.033 -9.246 -16.889 1.00 0.00 C ATOM 574 CD1 TRP A 40 3.797 -8.220 -17.303 1.00 0.00 C ATOM 575 CD2 TRP A 40 1.748 -8.929 -17.003 1.00 0.00 C ATOM 576 NE1 TRP A 40 2.905 -7.294 -17.668 1.00 0.00 N ATOM 577 CE2 TRP A 40 1.607 -7.655 -17.516 1.00 0.00 C ATOM 578 CE3 TRP A 40 0.635 -9.676 -16.690 1.00 0.00 C ATOM 579 CZ2 TRP A 40 0.348 -7.130 -17.718 1.00 0.00 C ATOM 580 CZ3 TRP A 40 -0.624 -9.154 -16.889 1.00 0.00 C ATOM 581 CH2 TRP A 40 -0.769 -7.880 -17.405 1.00 0.00 C ATOM 0 H TRP A 40 5.987 -10.257 -15.288 1.00 0.00 H new ATOM 0 HA TRP A 40 3.153 -9.991 -14.340 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.441 -10.883 -16.983 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.809 -11.373 -16.572 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.875 -8.159 -17.333 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.181 -6.383 -18.034 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.749 -10.672 -16.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.235 -6.134 -18.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.497 -9.740 -16.642 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.756 -7.471 -17.564 1.00 0.00 H new ATOM 592 N TYR A 41 2.933 -12.422 -13.827 1.00 0.00 N ATOM 593 CA TYR A 41 2.930 -13.803 -13.264 1.00 0.00 C ATOM 594 C TYR A 41 1.795 -14.620 -13.880 1.00 0.00 C ATOM 595 O TYR A 41 0.882 -14.070 -14.467 1.00 0.00 O ATOM 596 CB TYR A 41 2.691 -13.729 -11.746 1.00 0.00 C ATOM 597 CG TYR A 41 3.728 -12.818 -11.080 1.00 0.00 C ATOM 598 CD1 TYR A 41 5.061 -12.893 -11.427 1.00 0.00 C ATOM 599 CD2 TYR A 41 3.342 -11.929 -10.097 1.00 0.00 C ATOM 600 CE1 TYR A 41 5.994 -12.091 -10.799 1.00 0.00 C ATOM 601 CE2 TYR A 41 4.275 -11.129 -9.470 1.00 0.00 C ATOM 602 CZ TYR A 41 5.607 -11.205 -9.815 1.00 0.00 C ATOM 603 OH TYR A 41 6.540 -10.417 -9.173 1.00 0.00 O ATOM 0 H TYR A 41 2.050 -11.918 -13.748 1.00 0.00 H new ATOM 0 HA TYR A 41 3.888 -14.273 -13.484 1.00 0.00 H new ATOM 0 HB2 TYR A 41 1.688 -13.352 -11.548 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.747 -14.728 -11.315 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.377 -13.583 -12.195 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.301 -11.859 -9.817 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.034 -12.158 -11.081 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.959 -10.438 -8.703 1.00 0.00 H new ATOM 0 HH TYR A 41 6.091 -9.852 -8.510 1.00 0.00 H new ATOM 613 N LEU A 42 1.866 -15.912 -13.728 1.00 0.00 N ATOM 614 CA LEU A 42 0.799 -16.779 -14.298 1.00 0.00 C ATOM 615 C LEU A 42 0.785 -18.126 -13.581 1.00 0.00 C ATOM 616 O LEU A 42 1.747 -18.870 -13.636 1.00 0.00 O ATOM 617 CB LEU A 42 1.093 -16.991 -15.797 1.00 0.00 C ATOM 618 CG LEU A 42 0.233 -18.139 -16.343 1.00 0.00 C ATOM 619 CD1 LEU A 42 -1.247 -17.756 -16.255 1.00 0.00 C ATOM 620 CD2 LEU A 42 0.605 -18.390 -17.807 1.00 0.00 C ATOM 0 H LEU A 42 2.613 -16.403 -13.236 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.174 -16.305 -14.169 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.885 -16.075 -16.350 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.150 -17.217 -15.940 1.00 0.00 H new ATOM 0 HG LEU A 42 0.409 -19.041 -15.756 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.858 -18.571 -16.643 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.513 -17.567 -15.215 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.426 -16.857 -16.845 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.002 -19.205 -18.202 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.423 -17.486 -18.389 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.659 -18.658 -17.874 1.00 0.00 H new ATOM 632 N GLN A 43 -0.302 -18.410 -12.914 1.00 0.00 N ATOM 633 CA GLN A 43 -0.395 -19.704 -12.185 1.00 0.00 C ATOM 634 C GLN A 43 -1.712 -20.419 -12.478 1.00 0.00 C ATOM 635 O GLN A 43 -2.667 -19.822 -12.940 1.00 0.00 O ATOM 636 CB GLN A 43 -0.312 -19.419 -10.677 1.00 0.00 C ATOM 637 CG GLN A 43 1.110 -19.717 -10.180 1.00 0.00 C ATOM 638 CD GLN A 43 1.068 -20.866 -9.169 1.00 0.00 C ATOM 639 OE1 GLN A 43 0.489 -21.904 -9.416 1.00 0.00 O ATOM 640 NE2 GLN A 43 1.666 -20.721 -8.020 1.00 0.00 N ATOM 0 H GLN A 43 -1.122 -17.807 -12.844 1.00 0.00 H new ATOM 0 HA GLN A 43 0.422 -20.347 -12.513 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.568 -18.379 -10.478 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.034 -20.034 -10.139 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.752 -19.981 -11.020 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.539 -18.828 -9.718 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.155 -19.852 -7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.645 -21.477 -7.335 1.00 0.00 H new ATOM 649 N LYS A 44 -1.722 -21.693 -12.199 1.00 0.00 N ATOM 650 CA LYS A 44 -2.944 -22.504 -12.438 1.00 0.00 C ATOM 651 C LYS A 44 -3.676 -22.755 -11.117 1.00 0.00 C ATOM 652 O LYS A 44 -3.753 -21.879 -10.278 1.00 0.00 O ATOM 653 CB LYS A 44 -2.493 -23.848 -13.035 1.00 0.00 C ATOM 654 CG LYS A 44 -3.549 -24.351 -14.025 1.00 0.00 C ATOM 655 CD LYS A 44 -2.847 -25.117 -15.149 1.00 0.00 C ATOM 656 CE LYS A 44 -2.200 -24.120 -16.114 1.00 0.00 C ATOM 657 NZ LYS A 44 -2.742 -24.303 -17.488 1.00 0.00 N ATOM 0 H LYS A 44 -0.931 -22.208 -11.814 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.621 -21.981 -13.113 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.534 -23.730 -13.540 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.347 -24.580 -12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.264 -24.998 -13.517 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.112 -23.512 -14.434 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.090 -25.782 -14.734 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.564 -25.743 -15.681 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.388 -23.101 -15.775 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.119 -24.260 -16.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.979 -24.610 -18.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.491 -25.024 -17.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.135 -23.403 -17.829 1.00 0.00 H new ATOM 670 N ALA A 45 -4.202 -23.941 -10.959 1.00 0.00 N ATOM 671 CA ALA A 45 -4.926 -24.256 -9.699 1.00 0.00 C ATOM 672 C ALA A 45 -3.935 -24.426 -8.545 1.00 0.00 C ATOM 673 O ALA A 45 -4.268 -24.205 -7.397 1.00 0.00 O ATOM 674 CB ALA A 45 -5.689 -25.572 -9.900 1.00 0.00 C ATOM 0 H ALA A 45 -4.161 -24.697 -11.643 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.611 -23.443 -9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.228 -25.823 -8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.398 -25.460 -10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.984 -26.369 -10.136 1.00 0.00 H new ATOM 680 N GLY A 46 -2.733 -24.817 -8.882 1.00 0.00 N ATOM 681 CA GLY A 46 -1.688 -25.013 -7.832 1.00 0.00 C ATOM 682 C GLY A 46 -0.433 -25.635 -8.448 1.00 0.00 C ATOM 683 O GLY A 46 -0.187 -26.817 -8.304 1.00 0.00 O ATOM 0 H GLY A 46 -2.430 -25.009 -9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.441 -24.057 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.072 -25.658 -7.042 1.00 0.00 H new ATOM 687 N GLN A 47 0.333 -24.819 -9.122 1.00 0.00 N ATOM 688 CA GLN A 47 1.578 -25.329 -9.760 1.00 0.00 C ATOM 689 C GLN A 47 2.812 -24.665 -9.142 1.00 0.00 C ATOM 690 O GLN A 47 2.755 -24.151 -8.042 1.00 0.00 O ATOM 691 CB GLN A 47 1.515 -24.994 -11.261 1.00 0.00 C ATOM 692 CG GLN A 47 2.130 -26.143 -12.072 1.00 0.00 C ATOM 693 CD GLN A 47 1.032 -27.133 -12.472 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.131 -26.809 -13.219 1.00 0.00 O ATOM 695 NE2 GLN A 47 1.069 -28.346 -11.999 1.00 0.00 N ATOM 0 H GLN A 47 0.150 -23.825 -9.257 1.00 0.00 H new ATOM 0 HA GLN A 47 1.655 -26.405 -9.605 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.481 -24.834 -11.565 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.053 -24.067 -11.460 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.622 -25.751 -12.962 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.894 -26.650 -11.482 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.823 -28.626 -11.371 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.344 -29.016 -12.257 1.00 0.00 H new ATOM 704 N SER A 48 3.901 -24.688 -9.861 1.00 0.00 N ATOM 705 CA SER A 48 5.145 -24.065 -9.332 1.00 0.00 C ATOM 706 C SER A 48 5.239 -22.589 -9.731 1.00 0.00 C ATOM 707 O SER A 48 4.582 -22.141 -10.652 1.00 0.00 O ATOM 708 CB SER A 48 6.346 -24.829 -9.924 1.00 0.00 C ATOM 709 OG SER A 48 6.735 -24.076 -11.070 1.00 0.00 O ATOM 0 H SER A 48 3.982 -25.109 -10.787 1.00 0.00 H new ATOM 0 HA SER A 48 5.140 -24.119 -8.243 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.161 -24.901 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.070 -25.848 -10.196 1.00 0.00 H new ATOM 0 HG SER A 48 7.503 -24.508 -11.500 1.00 0.00 H new ATOM 715 N PRO A 49 6.065 -21.860 -9.017 1.00 0.00 N ATOM 716 CA PRO A 49 6.262 -20.428 -9.286 1.00 0.00 C ATOM 717 C PRO A 49 6.816 -20.229 -10.697 1.00 0.00 C ATOM 718 O PRO A 49 7.825 -20.808 -11.053 1.00 0.00 O ATOM 719 CB PRO A 49 7.298 -19.973 -8.238 1.00 0.00 C ATOM 720 CG PRO A 49 7.652 -21.201 -7.360 1.00 0.00 C ATOM 721 CD PRO A 49 6.854 -22.400 -7.893 1.00 0.00 C ATOM 0 HA PRO A 49 5.333 -19.862 -9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.190 -19.583 -8.727 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.893 -19.168 -7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.722 -21.405 -7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.404 -21.009 -6.316 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.516 -23.200 -8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.208 -22.819 -7.122 1.00 0.00 H new ATOM 729 N LYS A 50 6.146 -19.424 -11.476 1.00 0.00 N ATOM 730 CA LYS A 50 6.627 -19.186 -12.862 1.00 0.00 C ATOM 731 C LYS A 50 6.544 -17.709 -13.238 1.00 0.00 C ATOM 732 O LYS A 50 5.568 -17.040 -12.954 1.00 0.00 O ATOM 733 CB LYS A 50 5.735 -19.990 -13.820 1.00 0.00 C ATOM 734 CG LYS A 50 6.601 -20.622 -14.913 1.00 0.00 C ATOM 735 CD LYS A 50 5.691 -21.319 -15.930 1.00 0.00 C ATOM 736 CE LYS A 50 6.509 -22.327 -16.739 1.00 0.00 C ATOM 737 NZ LYS A 50 7.639 -21.641 -17.426 1.00 0.00 N ATOM 0 H LYS A 50 5.295 -18.926 -11.214 1.00 0.00 H new ATOM 0 HA LYS A 50 7.670 -19.495 -12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.200 -20.765 -13.272 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.984 -19.339 -14.267 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.201 -19.858 -15.407 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.295 -21.339 -14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.875 -21.826 -15.416 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.240 -20.583 -16.595 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.893 -23.106 -16.081 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.871 -22.817 -17.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.051 -22.278 -18.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.290 -20.780 -17.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.366 -21.386 -16.728 1.00 0.00 H new ATOM 750 N LEU A 51 7.579 -17.235 -13.873 1.00 0.00 N ATOM 751 CA LEU A 51 7.607 -15.808 -14.290 1.00 0.00 C ATOM 752 C LEU A 51 7.597 -15.717 -15.812 1.00 0.00 C ATOM 753 O LEU A 51 8.199 -16.530 -16.490 1.00 0.00 O ATOM 754 CB LEU A 51 8.901 -15.171 -13.751 1.00 0.00 C ATOM 755 CG LEU A 51 9.170 -13.841 -14.473 1.00 0.00 C ATOM 756 CD1 LEU A 51 8.131 -12.803 -14.034 1.00 0.00 C ATOM 757 CD2 LEU A 51 10.569 -13.343 -14.101 1.00 0.00 C ATOM 0 H LEU A 51 8.407 -17.776 -14.121 1.00 0.00 H new ATOM 0 HA LEU A 51 6.734 -15.287 -13.896 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.813 -15.001 -12.678 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.740 -15.851 -13.898 1.00 0.00 H new ATOM 0 HG LEU A 51 9.104 -13.989 -15.551 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.321 -11.859 -14.545 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.132 -13.158 -14.287 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.200 -12.652 -12.957 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.767 -12.400 -14.610 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.627 -13.193 -13.023 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.311 -14.081 -14.405 1.00 0.00 H new ATOM 769 N LEU A 52 6.916 -14.730 -16.321 1.00 0.00 N ATOM 770 CA LEU A 52 6.857 -14.571 -17.796 1.00 0.00 C ATOM 771 C LEU A 52 7.609 -13.318 -18.231 1.00 0.00 C ATOM 772 O LEU A 52 8.793 -13.363 -18.499 1.00 0.00 O ATOM 773 CB LEU A 52 5.383 -14.447 -18.205 1.00 0.00 C ATOM 774 CG LEU A 52 4.758 -15.843 -18.272 1.00 0.00 C ATOM 775 CD1 LEU A 52 3.235 -15.711 -18.222 1.00 0.00 C ATOM 776 CD2 LEU A 52 5.161 -16.520 -19.587 1.00 0.00 C ATOM 0 H LEU A 52 6.402 -14.032 -15.783 1.00 0.00 H new ATOM 0 HA LEU A 52 7.321 -15.434 -18.275 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.845 -13.829 -17.486 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.303 -13.953 -19.173 1.00 0.00 H new ATOM 0 HG LEU A 52 5.107 -16.442 -17.431 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.782 -16.701 -18.269 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.942 -15.222 -17.293 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.893 -15.115 -19.068 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.716 -17.514 -19.636 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.807 -15.923 -20.427 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.247 -16.605 -19.635 1.00 0.00 H new ATOM 788 N ILE A 53 6.913 -12.219 -18.276 1.00 0.00 N ATOM 789 CA ILE A 53 7.575 -10.957 -18.693 1.00 0.00 C ATOM 790 C ILE A 53 7.961 -10.111 -17.488 1.00 0.00 C ATOM 791 O ILE A 53 7.174 -9.911 -16.590 1.00 0.00 O ATOM 792 CB ILE A 53 6.588 -10.162 -19.544 1.00 0.00 C ATOM 793 CG1 ILE A 53 6.117 -11.010 -20.721 1.00 0.00 C ATOM 794 CG2 ILE A 53 7.295 -8.902 -20.073 1.00 0.00 C ATOM 795 CD1 ILE A 53 7.214 -11.046 -21.774 1.00 0.00 C ATOM 0 H ILE A 53 5.923 -12.141 -18.044 1.00 0.00 H new ATOM 0 HA ILE A 53 8.480 -11.202 -19.249 1.00 0.00 H new ATOM 0 HB ILE A 53 5.725 -9.883 -18.940 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.882 -12.021 -20.387 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.203 -10.593 -21.144 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.601 -8.324 -20.683 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.632 -8.294 -19.233 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.154 -9.193 -20.678 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.887 -11.650 -22.620 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.426 -10.032 -22.113 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.116 -11.482 -21.345 1.00 0.00 H new ATOM 807 N TYR A 54 9.168 -9.630 -17.497 1.00 0.00 N ATOM 808 CA TYR A 54 9.636 -8.790 -16.363 1.00 0.00 C ATOM 809 C TYR A 54 10.347 -7.542 -16.887 1.00 0.00 C ATOM 810 O TYR A 54 10.538 -7.397 -18.079 1.00 0.00 O ATOM 811 CB TYR A 54 10.584 -9.627 -15.484 1.00 0.00 C ATOM 812 CG TYR A 54 11.947 -9.784 -16.160 1.00 0.00 C ATOM 813 CD1 TYR A 54 12.147 -10.752 -17.121 1.00 0.00 C ATOM 814 CD2 TYR A 54 13.002 -8.974 -15.796 1.00 0.00 C ATOM 815 CE1 TYR A 54 13.383 -10.907 -17.711 1.00 0.00 C ATOM 816 CE2 TYR A 54 14.239 -9.130 -16.385 1.00 0.00 C ATOM 817 CZ TYR A 54 14.439 -10.098 -17.347 1.00 0.00 C ATOM 818 OH TYR A 54 15.673 -10.252 -17.938 1.00 0.00 O ATOM 0 H TYR A 54 9.851 -9.781 -18.239 1.00 0.00 H new ATOM 0 HA TYR A 54 8.783 -8.465 -15.767 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.707 -9.147 -14.513 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.147 -10.609 -15.301 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.329 -11.394 -17.414 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.858 -8.212 -15.044 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.526 -11.668 -18.464 1.00 0.00 H new ATOM 0 HE2 TYR A 54 15.057 -8.489 -16.091 1.00 0.00 H new ATOM 0 HH TYR A 54 16.299 -9.598 -17.563 1.00 0.00 H new ATOM 828 N LYS A 55 10.715 -6.661 -15.994 1.00 0.00 N ATOM 829 CA LYS A 55 11.410 -5.416 -16.433 1.00 0.00 C ATOM 830 C LYS A 55 10.587 -4.729 -17.526 1.00 0.00 C ATOM 831 O LYS A 55 11.122 -4.141 -18.445 1.00 0.00 O ATOM 832 CB LYS A 55 12.793 -5.786 -16.990 1.00 0.00 C ATOM 833 CG LYS A 55 13.673 -4.530 -17.042 1.00 0.00 C ATOM 834 CD LYS A 55 14.971 -4.782 -16.263 1.00 0.00 C ATOM 835 CE LYS A 55 14.802 -4.303 -14.818 1.00 0.00 C ATOM 836 NZ LYS A 55 16.119 -3.895 -14.251 1.00 0.00 N ATOM 0 H LYS A 55 10.566 -6.748 -14.989 1.00 0.00 H new ATOM 0 HA LYS A 55 11.522 -4.738 -15.587 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.259 -6.545 -16.362 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.693 -6.215 -17.987 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.901 -4.275 -18.077 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.139 -3.681 -16.615 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.217 -5.844 -16.279 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.800 -4.256 -16.737 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.108 -3.463 -14.785 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.368 -5.099 -14.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.990 -3.572 -13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.770 -4.706 -14.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.517 -3.121 -14.820 1.00 0.00 H new ATOM 849 N VAL A 56 9.289 -4.843 -17.387 1.00 0.00 N ATOM 850 CA VAL A 56 8.343 -4.231 -18.367 1.00 0.00 C ATOM 851 C VAL A 56 8.270 -5.028 -19.673 1.00 0.00 C ATOM 852 O VAL A 56 7.205 -5.160 -20.240 1.00 0.00 O ATOM 853 CB VAL A 56 8.768 -2.774 -18.666 1.00 0.00 C ATOM 854 CG1 VAL A 56 9.172 -2.626 -20.139 1.00 0.00 C ATOM 855 CG2 VAL A 56 7.580 -1.849 -18.391 1.00 0.00 C ATOM 0 H VAL A 56 8.839 -5.344 -16.621 1.00 0.00 H new ATOM 0 HA VAL A 56 7.350 -4.245 -17.917 1.00 0.00 H new ATOM 0 HB VAL A 56 9.617 -2.514 -18.033 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.468 -1.595 -20.333 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.008 -3.291 -20.356 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.327 -2.887 -20.776 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.866 -0.818 -18.598 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.744 -2.129 -19.032 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.282 -1.940 -17.346 1.00 0.00 H new ATOM 865 N SER A 57 9.383 -5.553 -20.126 1.00 0.00 N ATOM 866 CA SER A 57 9.342 -6.333 -21.400 1.00 0.00 C ATOM 867 C SER A 57 10.296 -7.530 -21.397 1.00 0.00 C ATOM 868 O SER A 57 9.944 -8.589 -21.881 1.00 0.00 O ATOM 869 CB SER A 57 9.735 -5.395 -22.549 1.00 0.00 C ATOM 870 OG SER A 57 10.943 -4.788 -22.109 1.00 0.00 O ATOM 0 H SER A 57 10.297 -5.478 -19.680 1.00 0.00 H new ATOM 0 HA SER A 57 8.332 -6.724 -21.518 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.882 -5.945 -23.479 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.961 -4.651 -22.737 1.00 0.00 H new ATOM 0 HG SER A 57 11.266 -4.167 -22.795 1.00 0.00 H new ATOM 876 N ASN A 58 11.481 -7.345 -20.873 1.00 0.00 N ATOM 877 CA ASN A 58 12.455 -8.479 -20.843 1.00 0.00 C ATOM 878 C ASN A 58 11.747 -9.808 -20.562 1.00 0.00 C ATOM 879 O ASN A 58 11.084 -9.962 -19.556 1.00 0.00 O ATOM 880 CB ASN A 58 13.482 -8.213 -19.734 1.00 0.00 C ATOM 881 CG ASN A 58 14.446 -7.116 -20.189 1.00 0.00 C ATOM 882 OD1 ASN A 58 15.594 -7.371 -20.486 1.00 0.00 O ATOM 883 ND2 ASN A 58 14.023 -5.886 -20.263 1.00 0.00 N ATOM 0 H ASN A 58 11.814 -6.469 -20.469 1.00 0.00 H new ATOM 0 HA ASN A 58 12.943 -8.549 -21.815 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.975 -7.910 -18.818 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.033 -9.126 -19.506 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.656 -5.147 -20.569 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.059 -5.662 -20.015 1.00 0.00 H new ATOM 890 N ARG A 59 11.899 -10.739 -21.465 1.00 0.00 N ATOM 891 CA ARG A 59 11.245 -12.065 -21.280 1.00 0.00 C ATOM 892 C ARG A 59 12.175 -13.041 -20.562 1.00 0.00 C ATOM 893 O ARG A 59 13.297 -13.246 -20.982 1.00 0.00 O ATOM 894 CB ARG A 59 10.923 -12.645 -22.666 1.00 0.00 C ATOM 895 CG ARG A 59 10.338 -11.550 -23.561 1.00 0.00 C ATOM 896 CD ARG A 59 9.896 -12.173 -24.889 1.00 0.00 C ATOM 897 NE ARG A 59 11.069 -12.848 -25.527 1.00 0.00 N ATOM 898 CZ ARG A 59 10.996 -14.112 -25.826 1.00 0.00 C ATOM 899 NH1 ARG A 59 10.442 -14.462 -26.947 1.00 0.00 N ATOM 900 NH2 ARG A 59 11.486 -14.979 -24.994 1.00 0.00 N ATOM 0 H ARG A 59 12.446 -10.639 -22.320 1.00 0.00 H new ATOM 0 HA ARG A 59 10.344 -11.929 -20.682 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.826 -13.054 -23.119 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.214 -13.467 -22.571 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.490 -11.074 -23.068 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.081 -10.773 -23.739 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.095 -12.892 -24.719 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.498 -11.404 -25.551 1.00 0.00 H new ATOM 0 HE ARG A 59 11.919 -12.321 -25.726 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.072 -13.750 -27.577 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.376 -15.449 -27.197 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.918 -14.664 -24.125 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.439 -15.975 -25.209 1.00 0.00 H new ATOM 914 N PHE A 60 11.698 -13.623 -19.491 1.00 0.00 N ATOM 915 CA PHE A 60 12.562 -14.586 -18.753 1.00 0.00 C ATOM 916 C PHE A 60 13.068 -15.669 -19.707 1.00 0.00 C ATOM 917 O PHE A 60 12.402 -16.012 -20.665 1.00 0.00 O ATOM 918 CB PHE A 60 11.733 -15.249 -17.644 1.00 0.00 C ATOM 919 CG PHE A 60 12.680 -15.794 -16.574 1.00 0.00 C ATOM 920 CD1 PHE A 60 13.252 -14.942 -15.648 1.00 0.00 C ATOM 921 CD2 PHE A 60 12.985 -17.142 -16.527 1.00 0.00 C ATOM 922 CE1 PHE A 60 14.115 -15.431 -14.689 1.00 0.00 C ATOM 923 CE2 PHE A 60 13.848 -17.631 -15.568 1.00 0.00 C ATOM 924 CZ PHE A 60 14.413 -16.775 -14.649 1.00 0.00 C ATOM 0 H PHE A 60 10.766 -13.476 -19.103 1.00 0.00 H new ATOM 0 HA PHE A 60 13.412 -14.054 -18.326 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.045 -14.527 -17.205 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.128 -16.056 -18.057 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.022 -13.887 -15.675 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.545 -17.817 -17.246 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.557 -14.759 -13.969 1.00 0.00 H new ATOM 0 HE2 PHE A 60 14.080 -18.685 -15.538 1.00 0.00 H new ATOM 0 HZ PHE A 60 15.089 -17.157 -13.898 1.00 0.00 H new ATOM 934 N SER A 61 14.233 -16.190 -19.434 1.00 0.00 N ATOM 935 CA SER A 61 14.780 -17.249 -20.328 1.00 0.00 C ATOM 936 C SER A 61 13.805 -18.420 -20.446 1.00 0.00 C ATOM 937 O SER A 61 13.563 -19.127 -19.487 1.00 0.00 O ATOM 938 CB SER A 61 16.103 -17.755 -19.738 1.00 0.00 C ATOM 939 OG SER A 61 16.903 -18.030 -20.881 1.00 0.00 O ATOM 0 H SER A 61 14.822 -15.933 -18.642 1.00 0.00 H new ATOM 0 HA SER A 61 14.936 -16.827 -21.321 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.567 -17.006 -19.096 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.954 -18.647 -19.130 1.00 0.00 H new ATOM 0 HG SER A 61 17.780 -18.361 -20.595 1.00 0.00 H new ATOM 945 N GLY A 62 13.262 -18.596 -21.623 1.00 0.00 N ATOM 946 CA GLY A 62 12.294 -19.716 -21.836 1.00 0.00 C ATOM 947 C GLY A 62 10.901 -19.172 -22.173 1.00 0.00 C ATOM 948 O GLY A 62 10.094 -19.855 -22.772 1.00 0.00 O ATOM 0 H GLY A 62 13.445 -18.017 -22.442 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.645 -20.357 -22.645 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.242 -20.333 -20.939 1.00 0.00 H new ATOM 952 N VAL A 63 10.653 -17.951 -21.781 1.00 0.00 N ATOM 953 CA VAL A 63 9.325 -17.339 -22.064 1.00 0.00 C ATOM 954 C VAL A 63 9.023 -17.350 -23.565 1.00 0.00 C ATOM 955 O VAL A 63 9.748 -16.776 -24.355 1.00 0.00 O ATOM 956 CB VAL A 63 9.356 -15.886 -21.574 1.00 0.00 C ATOM 957 CG1 VAL A 63 8.047 -15.185 -21.955 1.00 0.00 C ATOM 958 CG2 VAL A 63 9.498 -15.884 -20.054 1.00 0.00 C ATOM 0 H VAL A 63 11.310 -17.354 -21.279 1.00 0.00 H new ATOM 0 HA VAL A 63 8.551 -17.912 -21.554 1.00 0.00 H new ATOM 0 HB VAL A 63 10.194 -15.362 -22.033 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.072 -14.153 -21.606 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.929 -15.199 -23.039 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.208 -15.705 -21.492 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.521 -14.856 -19.692 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.651 -16.406 -19.609 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.423 -16.388 -19.774 1.00 0.00 H new ATOM 968 N PRO A 64 7.946 -18.008 -23.925 1.00 0.00 N ATOM 969 CA PRO A 64 7.533 -18.103 -25.333 1.00 0.00 C ATOM 970 C PRO A 64 7.308 -16.719 -25.941 1.00 0.00 C ATOM 971 O PRO A 64 6.747 -15.844 -25.311 1.00 0.00 O ATOM 972 CB PRO A 64 6.208 -18.887 -25.298 1.00 0.00 C ATOM 973 CG PRO A 64 5.969 -19.343 -23.836 1.00 0.00 C ATOM 974 CD PRO A 64 7.061 -18.703 -22.968 1.00 0.00 C ATOM 0 HA PRO A 64 8.295 -18.587 -25.944 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.384 -18.262 -25.643 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.255 -19.748 -25.964 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.980 -19.036 -23.496 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.009 -20.430 -23.762 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.635 -18.006 -22.246 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.607 -19.456 -22.400 1.00 0.00 H new ATOM 982 N ASP A 65 7.751 -16.554 -27.157 1.00 0.00 N ATOM 983 CA ASP A 65 7.582 -15.243 -27.841 1.00 0.00 C ATOM 984 C ASP A 65 6.118 -14.803 -27.836 1.00 0.00 C ATOM 985 O ASP A 65 5.818 -13.630 -27.950 1.00 0.00 O ATOM 986 CB ASP A 65 8.041 -15.414 -29.296 1.00 0.00 C ATOM 987 CG ASP A 65 7.226 -16.529 -29.959 1.00 0.00 C ATOM 988 OD1 ASP A 65 7.433 -17.668 -29.562 1.00 0.00 O ATOM 989 OD2 ASP A 65 6.437 -16.179 -30.819 1.00 0.00 O ATOM 0 H ASP A 65 8.223 -17.272 -27.706 1.00 0.00 H new ATOM 0 HA ASP A 65 8.168 -14.486 -27.320 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.911 -14.480 -29.842 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.103 -15.657 -29.328 1.00 0.00 H new ATOM 994 N ARG A 66 5.238 -15.756 -27.696 1.00 0.00 N ATOM 995 CA ARG A 66 3.788 -15.425 -27.679 1.00 0.00 C ATOM 996 C ARG A 66 3.460 -14.447 -26.551 1.00 0.00 C ATOM 997 O ARG A 66 2.434 -13.803 -26.572 1.00 0.00 O ATOM 998 CB ARG A 66 2.998 -16.721 -27.445 1.00 0.00 C ATOM 999 CG ARG A 66 3.470 -17.798 -28.428 1.00 0.00 C ATOM 1000 CD ARG A 66 2.874 -19.147 -28.016 1.00 0.00 C ATOM 1001 NE ARG A 66 3.940 -19.975 -27.377 1.00 0.00 N ATOM 1002 CZ ARG A 66 4.428 -20.996 -28.018 1.00 0.00 C ATOM 1003 NH1 ARG A 66 3.678 -22.042 -28.193 1.00 0.00 N ATOM 1004 NH2 ARG A 66 5.649 -20.935 -28.456 1.00 0.00 N ATOM 0 H ARG A 66 5.461 -16.746 -27.593 1.00 0.00 H new ATOM 0 HA ARG A 66 3.522 -14.963 -28.630 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.138 -17.064 -26.420 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.932 -16.537 -27.576 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.160 -17.544 -29.442 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.559 -17.853 -28.432 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.047 -18.997 -27.322 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.469 -19.662 -28.887 1.00 0.00 H new ATOM 0 HE ARG A 66 4.283 -19.742 -26.445 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.725 -22.052 -27.830 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.042 -22.853 -28.693 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.207 -20.097 -28.295 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.050 -21.725 -28.961 1.00 0.00 H new ATOM 1018 N PHE A 67 4.339 -14.356 -25.589 1.00 0.00 N ATOM 1019 CA PHE A 67 4.093 -13.426 -24.451 1.00 0.00 C ATOM 1020 C PHE A 67 4.733 -12.060 -24.693 1.00 0.00 C ATOM 1021 O PHE A 67 5.944 -11.933 -24.744 1.00 0.00 O ATOM 1022 CB PHE A 67 4.696 -14.050 -23.188 1.00 0.00 C ATOM 1023 CG PHE A 67 3.752 -15.143 -22.689 1.00 0.00 C ATOM 1024 CD1 PHE A 67 3.866 -16.441 -23.157 1.00 0.00 C ATOM 1025 CD2 PHE A 67 2.752 -14.840 -21.788 1.00 0.00 C ATOM 1026 CE1 PHE A 67 2.989 -17.417 -22.727 1.00 0.00 C ATOM 1027 CE2 PHE A 67 1.877 -15.814 -21.362 1.00 0.00 C ATOM 1028 CZ PHE A 67 1.995 -17.103 -21.830 1.00 0.00 C ATOM 0 H PHE A 67 5.211 -14.882 -25.542 1.00 0.00 H new ATOM 0 HA PHE A 67 3.019 -13.275 -24.343 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.679 -14.468 -23.404 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.835 -13.290 -22.419 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.645 -16.691 -23.862 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.655 -13.831 -21.414 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.084 -18.428 -23.095 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.096 -15.566 -20.659 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.309 -17.866 -21.494 1.00 0.00 H new ATOM 1038 N SER A 68 3.897 -11.064 -24.828 1.00 0.00 N ATOM 1039 CA SER A 68 4.413 -9.689 -25.067 1.00 0.00 C ATOM 1040 C SER A 68 4.005 -8.749 -23.934 1.00 0.00 C ATOM 1041 O SER A 68 2.953 -8.138 -23.974 1.00 0.00 O ATOM 1042 CB SER A 68 3.811 -9.171 -26.382 1.00 0.00 C ATOM 1043 OG SER A 68 4.934 -8.985 -27.232 1.00 0.00 O ATOM 0 H SER A 68 2.881 -11.146 -24.783 1.00 0.00 H new ATOM 0 HA SER A 68 5.501 -9.720 -25.117 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.105 -9.886 -26.805 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.268 -8.238 -26.231 1.00 0.00 H new ATOM 0 HG SER A 68 4.633 -8.653 -28.104 1.00 0.00 H new ATOM 1049 N GLY A 69 4.841 -8.662 -22.936 1.00 0.00 N ATOM 1050 CA GLY A 69 4.524 -7.766 -21.787 1.00 0.00 C ATOM 1051 C GLY A 69 5.177 -6.399 -22.007 1.00 0.00 C ATOM 1052 O GLY A 69 6.348 -6.313 -22.315 1.00 0.00 O ATOM 0 H GLY A 69 5.724 -9.168 -22.866 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.444 -7.653 -21.688 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.885 -8.207 -20.858 1.00 0.00 H new ATOM 1056 N SER A 70 4.395 -5.362 -21.872 1.00 0.00 N ATOM 1057 CA SER A 70 4.942 -3.985 -22.067 1.00 0.00 C ATOM 1058 C SER A 70 3.983 -2.941 -21.493 1.00 0.00 C ATOM 1059 O SER A 70 2.999 -3.287 -20.865 1.00 0.00 O ATOM 1060 CB SER A 70 5.093 -3.741 -23.575 1.00 0.00 C ATOM 1061 OG SER A 70 6.007 -2.657 -23.666 1.00 0.00 O ATOM 0 H SER A 70 3.404 -5.407 -21.636 1.00 0.00 H new ATOM 0 HA SER A 70 5.901 -3.899 -21.556 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.474 -4.626 -24.085 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.136 -3.494 -24.036 1.00 0.00 H new ATOM 0 HG SER A 70 6.161 -2.437 -24.609 1.00 0.00 H new ATOM 1067 N GLY A 71 4.279 -1.685 -21.716 1.00 0.00 N ATOM 1068 CA GLY A 71 3.376 -0.620 -21.180 1.00 0.00 C ATOM 1069 C GLY A 71 4.140 0.673 -20.871 1.00 0.00 C ATOM 1070 O GLY A 71 5.335 0.758 -21.075 1.00 0.00 O ATOM 0 H GLY A 71 5.092 -1.354 -22.236 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.589 -0.412 -21.905 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.888 -0.979 -20.274 1.00 0.00 H new ATOM 1074 N SER A 72 3.415 1.654 -20.389 1.00 0.00 N ATOM 1075 CA SER A 72 4.050 2.961 -20.051 1.00 0.00 C ATOM 1076 C SER A 72 4.469 3.015 -18.577 1.00 0.00 C ATOM 1077 O SER A 72 4.952 2.044 -18.032 1.00 0.00 O ATOM 1078 CB SER A 72 3.023 4.074 -20.322 1.00 0.00 C ATOM 1079 OG SER A 72 3.811 5.252 -20.434 1.00 0.00 O ATOM 0 H SER A 72 2.411 1.603 -20.216 1.00 0.00 H new ATOM 0 HA SER A 72 4.945 3.089 -20.660 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.459 3.883 -21.235 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.299 4.154 -19.511 1.00 0.00 H new ATOM 0 HG SER A 72 3.228 6.020 -20.611 1.00 0.00 H new ATOM 1085 N GLY A 73 4.279 4.158 -17.963 1.00 0.00 N ATOM 1086 CA GLY A 73 4.657 4.305 -16.524 1.00 0.00 C ATOM 1087 C GLY A 73 3.531 3.811 -15.610 1.00 0.00 C ATOM 1088 O GLY A 73 3.784 3.256 -14.557 1.00 0.00 O ATOM 0 H GLY A 73 3.880 4.992 -18.395 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.568 3.741 -16.324 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.876 5.350 -16.306 1.00 0.00 H new ATOM 1092 N THR A 74 2.309 4.034 -16.025 1.00 0.00 N ATOM 1093 CA THR A 74 1.150 3.584 -15.195 1.00 0.00 C ATOM 1094 C THR A 74 0.227 2.672 -15.989 1.00 0.00 C ATOM 1095 O THR A 74 -0.879 2.386 -15.571 1.00 0.00 O ATOM 1096 CB THR A 74 0.342 4.807 -14.761 1.00 0.00 C ATOM 1097 OG1 THR A 74 0.131 5.560 -15.942 1.00 0.00 O ATOM 1098 CG2 THR A 74 1.168 5.728 -13.862 1.00 0.00 C ATOM 0 H THR A 74 2.065 4.505 -16.896 1.00 0.00 H new ATOM 0 HA THR A 74 1.540 3.040 -14.335 1.00 0.00 H new ATOM 0 HB THR A 74 -0.559 4.480 -14.242 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.382 5.026 -16.583 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.565 6.588 -13.571 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.478 5.183 -12.970 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.050 6.070 -14.404 1.00 0.00 H new ATOM 1106 N ASP A 75 0.704 2.225 -17.111 1.00 0.00 N ATOM 1107 CA ASP A 75 -0.124 1.330 -17.959 1.00 0.00 C ATOM 1108 C ASP A 75 0.679 0.118 -18.409 1.00 0.00 C ATOM 1109 O ASP A 75 1.779 0.248 -18.901 1.00 0.00 O ATOM 1110 CB ASP A 75 -0.570 2.118 -19.199 1.00 0.00 C ATOM 1111 CG ASP A 75 -1.368 3.347 -18.757 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -0.718 4.291 -18.337 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -2.581 3.270 -18.864 1.00 0.00 O ATOM 0 H ASP A 75 1.631 2.440 -17.479 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.983 0.985 -17.384 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.299 2.424 -19.781 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.180 1.487 -19.845 1.00 0.00 H new ATOM 1118 N PHE A 76 0.107 -1.038 -18.226 1.00 0.00 N ATOM 1119 CA PHE A 76 0.807 -2.285 -18.632 1.00 0.00 C ATOM 1120 C PHE A 76 -0.201 -3.301 -19.158 1.00 0.00 C ATOM 1121 O PHE A 76 -1.318 -3.357 -18.690 1.00 0.00 O ATOM 1122 CB PHE A 76 1.511 -2.863 -17.395 1.00 0.00 C ATOM 1123 CG PHE A 76 2.351 -1.765 -16.735 1.00 0.00 C ATOM 1124 CD1 PHE A 76 3.640 -1.519 -17.166 1.00 0.00 C ATOM 1125 CD2 PHE A 76 1.827 -0.999 -15.707 1.00 0.00 C ATOM 1126 CE1 PHE A 76 4.395 -0.523 -16.581 1.00 0.00 C ATOM 1127 CE2 PHE A 76 2.583 -0.004 -15.121 1.00 0.00 C ATOM 1128 CZ PHE A 76 3.867 0.234 -15.559 1.00 0.00 C ATOM 0 H PHE A 76 -0.816 -1.172 -17.812 1.00 0.00 H new ATOM 0 HA PHE A 76 1.529 -2.067 -19.418 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.775 -3.248 -16.689 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.146 -3.701 -17.682 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.060 -2.110 -17.966 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.820 -1.181 -15.362 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.402 -0.337 -16.925 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.168 0.588 -14.319 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.459 1.013 -15.102 1.00 0.00 H new ATOM 1138 N THR A 77 0.201 -4.080 -20.128 1.00 0.00 N ATOM 1139 CA THR A 77 -0.742 -5.093 -20.685 1.00 0.00 C ATOM 1140 C THR A 77 -0.001 -6.322 -21.215 1.00 0.00 C ATOM 1141 O THR A 77 1.052 -6.209 -21.812 1.00 0.00 O ATOM 1142 CB THR A 77 -1.518 -4.442 -21.840 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.436 -3.554 -21.222 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.406 -5.461 -22.570 1.00 0.00 C ATOM 0 H THR A 77 1.128 -4.060 -20.553 1.00 0.00 H new ATOM 0 HA THR A 77 -1.412 -5.421 -19.890 1.00 0.00 H new ATOM 0 HB THR A 77 -0.813 -3.990 -22.538 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.197 -3.440 -20.279 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.939 -4.964 -23.380 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.785 -6.258 -22.979 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.125 -5.885 -21.869 1.00 0.00 H new ATOM 1152 N LEU A 78 -0.574 -7.472 -20.975 1.00 0.00 N ATOM 1153 CA LEU A 78 0.052 -8.738 -21.443 1.00 0.00 C ATOM 1154 C LEU A 78 -0.602 -9.192 -22.746 1.00 0.00 C ATOM 1155 O LEU A 78 -1.696 -9.722 -22.737 1.00 0.00 O ATOM 1156 CB LEU A 78 -0.196 -9.807 -20.370 1.00 0.00 C ATOM 1157 CG LEU A 78 0.814 -10.951 -20.521 1.00 0.00 C ATOM 1158 CD1 LEU A 78 1.137 -11.501 -19.131 1.00 0.00 C ATOM 1159 CD2 LEU A 78 0.203 -12.063 -21.378 1.00 0.00 C ATOM 0 H LEU A 78 -1.454 -7.587 -20.472 1.00 0.00 H new ATOM 0 HA LEU A 78 1.118 -8.587 -21.612 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.110 -9.364 -19.378 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.211 -10.194 -20.459 1.00 0.00 H new ATOM 0 HG LEU A 78 1.722 -10.586 -21.001 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.855 -12.316 -19.220 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.563 -10.708 -18.516 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.224 -11.871 -18.665 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.921 -12.876 -21.485 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.701 -12.438 -20.897 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.047 -11.668 -22.363 1.00 0.00 H new ATOM 1171 N LYS A 79 0.071 -8.973 -23.840 1.00 0.00 N ATOM 1172 CA LYS A 79 -0.506 -9.386 -25.146 1.00 0.00 C ATOM 1173 C LYS A 79 -0.017 -10.776 -25.544 1.00 0.00 C ATOM 1174 O LYS A 79 1.172 -11.005 -25.652 1.00 0.00 O ATOM 1175 CB LYS A 79 -0.048 -8.383 -26.212 1.00 0.00 C ATOM 1176 CG LYS A 79 -0.575 -6.989 -25.858 1.00 0.00 C ATOM 1177 CD LYS A 79 -1.118 -6.320 -27.126 1.00 0.00 C ATOM 1178 CE LYS A 79 -0.717 -4.844 -27.141 1.00 0.00 C ATOM 1179 NZ LYS A 79 -0.766 -4.314 -28.533 1.00 0.00 N ATOM 0 H LYS A 79 0.988 -8.529 -23.886 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.593 -9.409 -25.063 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.040 -8.369 -26.270 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.415 -8.685 -27.193 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.361 -7.064 -25.107 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.222 -6.384 -25.426 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.726 -6.822 -28.010 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.203 -6.412 -27.161 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.388 -4.270 -26.501 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.288 -4.728 -26.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.492 -3.311 -28.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.108 -4.852 -29.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.732 -4.409 -28.907 1.00 0.00 H new ATOM 1192 N ILE A 80 -0.943 -11.679 -25.748 1.00 0.00 N ATOM 1193 CA ILE A 80 -0.543 -13.059 -26.140 1.00 0.00 C ATOM 1194 C ILE A 80 -0.836 -13.305 -27.603 1.00 0.00 C ATOM 1195 O ILE A 80 -1.867 -12.910 -28.115 1.00 0.00 O ATOM 1196 CB ILE A 80 -1.317 -14.074 -25.289 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -1.175 -13.726 -23.805 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -0.711 -15.468 -25.528 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -1.919 -14.763 -22.957 1.00 0.00 C ATOM 0 H ILE A 80 -1.947 -11.521 -25.661 1.00 0.00 H new ATOM 0 HA ILE A 80 0.528 -13.172 -25.974 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.371 -14.056 -25.565 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.121 -13.703 -23.526 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.577 -12.731 -23.615 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.248 -16.205 -24.931 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.795 -15.725 -26.584 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.340 -15.462 -25.238 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.815 -14.512 -21.901 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.975 -14.765 -23.228 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.497 -15.751 -23.138 1.00 0.00 H new ATOM 1211 N SER A 81 0.084 -13.960 -28.251 1.00 0.00 N ATOM 1212 CA SER A 81 -0.115 -14.245 -29.685 1.00 0.00 C ATOM 1213 C SER A 81 -1.187 -15.315 -29.893 1.00 0.00 C ATOM 1214 O SER A 81 -2.262 -15.023 -30.374 1.00 0.00 O ATOM 1215 CB SER A 81 1.211 -14.729 -30.283 1.00 0.00 C ATOM 1216 OG SER A 81 2.005 -13.552 -30.360 1.00 0.00 O ATOM 0 H SER A 81 0.956 -14.305 -27.849 1.00 0.00 H new ATOM 0 HA SER A 81 -0.446 -13.332 -30.180 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.680 -15.486 -29.654 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.065 -15.177 -31.266 1.00 0.00 H new ATOM 0 HG SER A 81 2.883 -13.774 -30.735 1.00 0.00 H new ATOM 1222 N ARG A 82 -0.875 -16.533 -29.532 1.00 0.00 N ATOM 1223 CA ARG A 82 -1.874 -17.623 -29.706 1.00 0.00 C ATOM 1224 C ARG A 82 -2.136 -18.322 -28.376 1.00 0.00 C ATOM 1225 O ARG A 82 -1.319 -19.084 -27.894 1.00 0.00 O ATOM 1226 CB ARG A 82 -1.346 -18.648 -30.729 1.00 0.00 C ATOM 1227 CG ARG A 82 0.183 -18.581 -30.814 1.00 0.00 C ATOM 1228 CD ARG A 82 0.670 -19.633 -31.816 1.00 0.00 C ATOM 1229 NE ARG A 82 0.107 -19.314 -33.163 1.00 0.00 N ATOM 1230 CZ ARG A 82 0.682 -19.784 -34.231 1.00 0.00 C ATOM 1231 NH1 ARG A 82 0.571 -21.049 -34.497 1.00 0.00 N ATOM 1232 NH2 ARG A 82 1.349 -18.970 -34.992 1.00 0.00 N ATOM 0 H ARG A 82 0.018 -16.816 -29.129 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.807 -17.190 -30.066 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -1.657 -19.652 -30.440 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.780 -18.449 -31.709 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.500 -17.586 -31.128 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.624 -18.762 -29.833 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.759 -19.641 -31.855 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.355 -20.628 -31.501 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.725 -18.730 -33.245 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.040 -21.657 -33.873 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.015 -21.436 -35.330 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.415 -17.982 -34.748 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.807 -19.319 -35.834 1.00 0.00 H new ATOM 1246 N VAL A 83 -3.273 -18.033 -27.808 1.00 0.00 N ATOM 1247 CA VAL A 83 -3.632 -18.658 -26.506 1.00 0.00 C ATOM 1248 C VAL A 83 -3.778 -20.174 -26.641 1.00 0.00 C ATOM 1249 O VAL A 83 -4.759 -20.666 -27.167 1.00 0.00 O ATOM 1250 CB VAL A 83 -4.970 -18.061 -26.048 1.00 0.00 C ATOM 1251 CG1 VAL A 83 -5.488 -18.824 -24.824 1.00 0.00 C ATOM 1252 CG2 VAL A 83 -4.756 -16.594 -25.672 1.00 0.00 C ATOM 0 H VAL A 83 -3.968 -17.391 -28.189 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.842 -18.459 -25.782 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.698 -18.139 -26.855 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.438 -18.396 -24.503 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.632 -19.873 -25.083 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.763 -18.747 -24.014 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.701 -16.161 -25.345 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.028 -16.528 -24.864 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.386 -16.046 -26.539 1.00 0.00 H new ATOM 1262 N GLU A 84 -2.789 -20.879 -26.166 1.00 0.00 N ATOM 1263 CA GLU A 84 -2.829 -22.363 -26.244 1.00 0.00 C ATOM 1264 C GLU A 84 -3.425 -22.941 -24.960 1.00 0.00 C ATOM 1265 O GLU A 84 -3.682 -22.217 -24.018 1.00 0.00 O ATOM 1266 CB GLU A 84 -1.387 -22.874 -26.401 1.00 0.00 C ATOM 1267 CG GLU A 84 -0.953 -22.735 -27.866 1.00 0.00 C ATOM 1268 CD GLU A 84 0.569 -22.555 -27.946 1.00 0.00 C ATOM 1269 OE1 GLU A 84 1.247 -23.352 -27.316 1.00 0.00 O ATOM 1270 OE2 GLU A 84 0.970 -21.632 -28.639 1.00 0.00 O ATOM 0 H GLU A 84 -1.955 -20.490 -25.727 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.444 -22.671 -27.089 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.716 -22.306 -25.756 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.323 -23.916 -26.089 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.253 -23.619 -28.429 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.453 -21.881 -28.323 1.00 0.00 H new ATOM 1277 N ALA A 85 -3.635 -24.231 -24.941 1.00 0.00 N ATOM 1278 CA ALA A 85 -4.213 -24.859 -23.719 1.00 0.00 C ATOM 1279 C ALA A 85 -3.364 -24.538 -22.483 1.00 0.00 C ATOM 1280 O ALA A 85 -3.865 -24.504 -21.375 1.00 0.00 O ATOM 1281 CB ALA A 85 -4.239 -26.381 -23.926 1.00 0.00 C ATOM 0 H ALA A 85 -3.434 -24.870 -25.710 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.217 -24.468 -23.558 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.659 -26.861 -23.042 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.853 -26.620 -24.795 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.224 -26.744 -24.088 1.00 0.00 H new ATOM 1287 N GLU A 86 -2.095 -24.302 -22.702 1.00 0.00 N ATOM 1288 CA GLU A 86 -1.190 -23.980 -21.560 1.00 0.00 C ATOM 1289 C GLU A 86 -1.422 -22.559 -21.051 1.00 0.00 C ATOM 1290 O GLU A 86 -1.405 -22.313 -19.861 1.00 0.00 O ATOM 1291 CB GLU A 86 0.261 -24.085 -22.050 1.00 0.00 C ATOM 1292 CG GLU A 86 0.587 -25.548 -22.364 1.00 0.00 C ATOM 1293 CD GLU A 86 1.870 -25.958 -21.630 1.00 0.00 C ATOM 1294 OE1 GLU A 86 1.781 -26.098 -20.420 1.00 0.00 O ATOM 1295 OE2 GLU A 86 2.866 -26.108 -22.321 1.00 0.00 O ATOM 0 H GLU A 86 -1.649 -24.319 -23.619 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.392 -24.679 -20.748 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.402 -23.471 -22.939 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.942 -23.704 -21.289 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.240 -26.189 -22.058 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.713 -25.681 -23.439 1.00 0.00 H new ATOM 1302 N ASP A 87 -1.635 -21.653 -21.966 1.00 0.00 N ATOM 1303 CA ASP A 87 -1.871 -20.236 -21.566 1.00 0.00 C ATOM 1304 C ASP A 87 -3.099 -20.097 -20.663 1.00 0.00 C ATOM 1305 O ASP A 87 -3.349 -19.038 -20.120 1.00 0.00 O ATOM 1306 CB ASP A 87 -2.110 -19.416 -22.842 1.00 0.00 C ATOM 1307 CG ASP A 87 -0.840 -19.415 -23.695 1.00 0.00 C ATOM 1308 OD1 ASP A 87 -0.629 -20.420 -24.350 1.00 0.00 O ATOM 1309 OD2 ASP A 87 -0.156 -18.408 -23.646 1.00 0.00 O ATOM 0 H ASP A 87 -1.656 -21.831 -22.970 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.001 -19.882 -21.012 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.940 -19.838 -23.408 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.388 -18.394 -22.583 1.00 0.00 H new ATOM 1314 N LEU A 88 -3.840 -21.164 -20.516 1.00 0.00 N ATOM 1315 CA LEU A 88 -5.050 -21.100 -19.652 1.00 0.00 C ATOM 1316 C LEU A 88 -4.688 -20.965 -18.175 1.00 0.00 C ATOM 1317 O LEU A 88 -3.673 -21.467 -17.725 1.00 0.00 O ATOM 1318 CB LEU A 88 -5.854 -22.388 -19.845 1.00 0.00 C ATOM 1319 CG LEU A 88 -6.389 -22.436 -21.277 1.00 0.00 C ATOM 1320 CD1 LEU A 88 -7.006 -23.812 -21.525 1.00 0.00 C ATOM 1321 CD2 LEU A 88 -7.467 -21.362 -21.455 1.00 0.00 C ATOM 0 H LEU A 88 -3.660 -22.068 -20.953 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.629 -20.222 -19.940 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.225 -23.256 -19.650 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.679 -22.426 -19.134 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.577 -22.256 -21.982 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.392 -23.860 -22.543 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.246 -24.581 -21.388 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.821 -23.978 -20.820 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.849 -21.395 -22.475 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.283 -21.546 -20.756 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.037 -20.379 -21.260 1.00 0.00 H new ATOM 1333 N GLY A 89 -5.547 -20.296 -17.452 1.00 0.00 N ATOM 1334 CA GLY A 89 -5.310 -20.091 -15.994 1.00 0.00 C ATOM 1335 C GLY A 89 -5.604 -18.634 -15.635 1.00 0.00 C ATOM 1336 O GLY A 89 -6.308 -17.951 -16.354 1.00 0.00 O ATOM 0 H GLY A 89 -6.407 -19.881 -17.811 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.948 -20.757 -15.413 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.279 -20.339 -15.743 1.00 0.00 H new ATOM 1340 N ILE A 90 -5.074 -18.187 -14.527 1.00 0.00 N ATOM 1341 CA ILE A 90 -5.323 -16.774 -14.124 1.00 0.00 C ATOM 1342 C ILE A 90 -4.029 -15.968 -14.197 1.00 0.00 C ATOM 1343 O ILE A 90 -2.985 -16.421 -13.760 1.00 0.00 O ATOM 1344 CB ILE A 90 -5.846 -16.746 -12.684 1.00 0.00 C ATOM 1345 CG1 ILE A 90 -7.081 -17.637 -12.558 1.00 0.00 C ATOM 1346 CG2 ILE A 90 -6.256 -15.302 -12.350 1.00 0.00 C ATOM 1347 CD1 ILE A 90 -7.519 -17.687 -11.091 1.00 0.00 C ATOM 0 H ILE A 90 -4.488 -18.730 -13.893 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.057 -16.336 -14.801 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.070 -17.103 -12.007 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.889 -17.249 -13.178 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.858 -18.641 -12.918 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.632 -15.258 -11.328 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.391 -14.646 -12.447 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.036 -14.977 -13.038 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.400 -18.322 -10.996 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.711 -18.095 -10.484 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.758 -16.680 -10.748 1.00 0.00 H new ATOM 1359 N TYR A 91 -4.123 -14.786 -14.748 1.00 0.00 N ATOM 1360 CA TYR A 91 -2.911 -13.927 -14.864 1.00 0.00 C ATOM 1361 C TYR A 91 -2.874 -12.865 -13.767 1.00 0.00 C ATOM 1362 O TYR A 91 -3.901 -12.436 -13.276 1.00 0.00 O ATOM 1363 CB TYR A 91 -2.949 -13.224 -16.228 1.00 0.00 C ATOM 1364 CG TYR A 91 -2.357 -14.152 -17.289 1.00 0.00 C ATOM 1365 CD1 TYR A 91 -3.150 -15.083 -17.926 1.00 0.00 C ATOM 1366 CD2 TYR A 91 -1.019 -14.075 -17.616 1.00 0.00 C ATOM 1367 CE1 TYR A 91 -2.612 -15.927 -18.876 1.00 0.00 C ATOM 1368 CE2 TYR A 91 -0.480 -14.917 -18.565 1.00 0.00 C ATOM 1369 CZ TYR A 91 -1.274 -15.851 -19.202 1.00 0.00 C ATOM 1370 OH TYR A 91 -0.737 -16.703 -20.143 1.00 0.00 O ATOM 0 H TYR A 91 -4.982 -14.381 -15.120 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.025 -14.555 -14.763 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.975 -12.963 -16.488 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.384 -12.293 -16.186 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.199 -15.152 -17.680 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.389 -13.349 -17.124 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.243 -16.652 -19.368 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.569 -14.846 -18.812 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.675 -16.241 -21.005 1.00 0.00 H new ATOM 1380 N PHE A 92 -1.683 -12.462 -13.409 1.00 0.00 N ATOM 1381 CA PHE A 92 -1.539 -11.429 -12.348 1.00 0.00 C ATOM 1382 C PHE A 92 -0.402 -10.468 -12.681 1.00 0.00 C ATOM 1383 O PHE A 92 0.573 -10.850 -13.300 1.00 0.00 O ATOM 1384 CB PHE A 92 -1.197 -12.131 -11.025 1.00 0.00 C ATOM 1385 CG PHE A 92 -2.345 -13.054 -10.616 1.00 0.00 C ATOM 1386 CD1 PHE A 92 -2.378 -14.365 -11.054 1.00 0.00 C ATOM 1387 CD2 PHE A 92 -3.356 -12.592 -9.795 1.00 0.00 C ATOM 1388 CE1 PHE A 92 -3.407 -15.200 -10.675 1.00 0.00 C ATOM 1389 CE2 PHE A 92 -4.386 -13.429 -9.416 1.00 0.00 C ATOM 1390 CZ PHE A 92 -4.411 -14.733 -9.856 1.00 0.00 C ATOM 0 H PHE A 92 -0.808 -12.804 -13.806 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.472 -10.871 -12.273 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.278 -12.706 -11.135 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.018 -11.390 -10.245 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.593 -14.737 -11.696 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.340 -11.569 -9.448 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.426 -16.223 -11.021 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.173 -13.061 -8.774 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.216 -15.389 -9.560 1.00 0.00 H new ATOM 1400 N CYS A 93 -0.553 -9.240 -12.270 1.00 0.00 N ATOM 1401 CA CYS A 93 0.505 -8.234 -12.545 1.00 0.00 C ATOM 1402 C CYS A 93 0.883 -7.537 -11.245 1.00 0.00 C ATOM 1403 O CYS A 93 0.029 -7.240 -10.432 1.00 0.00 O ATOM 1404 CB CYS A 93 -0.031 -7.197 -13.543 1.00 0.00 C ATOM 1405 SG CYS A 93 -1.531 -6.292 -13.092 1.00 0.00 S ATOM 0 H CYS A 93 -1.363 -8.892 -11.757 1.00 0.00 H new ATOM 0 HA CYS A 93 1.382 -8.726 -12.965 1.00 0.00 H new ATOM 0 HB2 CYS A 93 0.758 -6.468 -13.725 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.218 -7.707 -14.488 1.00 0.00 H new ATOM 1410 N SER A 94 2.150 -7.294 -11.065 1.00 0.00 N ATOM 1411 CA SER A 94 2.587 -6.617 -9.815 1.00 0.00 C ATOM 1412 C SER A 94 3.763 -5.685 -10.079 1.00 0.00 C ATOM 1413 O SER A 94 4.410 -5.777 -11.106 1.00 0.00 O ATOM 1414 CB SER A 94 3.026 -7.701 -8.824 1.00 0.00 C ATOM 1415 OG SER A 94 2.861 -7.098 -7.552 1.00 0.00 O ATOM 0 H SER A 94 2.894 -7.532 -11.721 1.00 0.00 H new ATOM 0 HA SER A 94 1.763 -6.023 -9.419 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.416 -8.599 -8.921 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.061 -7.999 -8.992 1.00 0.00 H new ATOM 0 HG SER A 94 2.923 -7.784 -6.854 1.00 0.00 H new ATOM 1421 N GLN A 95 4.023 -4.810 -9.143 1.00 0.00 N ATOM 1422 CA GLN A 95 5.155 -3.862 -9.322 1.00 0.00 C ATOM 1423 C GLN A 95 6.222 -4.066 -8.249 1.00 0.00 C ATOM 1424 O GLN A 95 5.978 -4.681 -7.229 1.00 0.00 O ATOM 1425 CB GLN A 95 4.605 -2.435 -9.209 1.00 0.00 C ATOM 1426 CG GLN A 95 3.844 -2.288 -7.883 1.00 0.00 C ATOM 1427 CD GLN A 95 4.444 -1.145 -7.060 1.00 0.00 C ATOM 1428 OE1 GLN A 95 5.636 -0.906 -7.073 1.00 0.00 O ATOM 1429 NE2 GLN A 95 3.653 -0.420 -6.326 1.00 0.00 N ATOM 0 H GLN A 95 3.504 -4.713 -8.270 1.00 0.00 H new ATOM 0 HA GLN A 95 5.612 -4.035 -10.296 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.421 -1.714 -9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.942 -2.221 -10.048 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.790 -2.092 -8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.896 -3.219 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.652 -0.614 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.034 0.343 -5.766 1.00 0.00 H new ATOM 1438 N THR A 96 7.384 -3.539 -8.507 1.00 0.00 N ATOM 1439 CA THR A 96 8.499 -3.676 -7.529 1.00 0.00 C ATOM 1440 C THR A 96 9.231 -2.345 -7.381 1.00 0.00 C ATOM 1441 O THR A 96 10.425 -2.304 -7.153 1.00 0.00 O ATOM 1442 CB THR A 96 9.478 -4.747 -8.043 1.00 0.00 C ATOM 1443 OG1 THR A 96 9.317 -4.780 -9.452 1.00 0.00 O ATOM 1444 CG2 THR A 96 9.047 -6.143 -7.579 1.00 0.00 C ATOM 0 H THR A 96 7.611 -3.018 -9.354 1.00 0.00 H new ATOM 0 HA THR A 96 8.100 -3.968 -6.558 1.00 0.00 H new ATOM 0 HB THR A 96 10.484 -4.514 -7.695 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.922 -5.449 -9.835 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.753 -6.885 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.030 -6.175 -6.490 1.00 0.00 H new ATOM 0 HG23 THR A 96 8.051 -6.363 -7.964 1.00 0.00 H new ATOM 1452 N THR A 97 8.485 -1.279 -7.512 1.00 0.00 N ATOM 1453 CA THR A 97 9.091 0.077 -7.386 1.00 0.00 C ATOM 1454 C THR A 97 8.832 0.652 -5.993 1.00 0.00 C ATOM 1455 O THR A 97 9.655 1.361 -5.450 1.00 0.00 O ATOM 1456 CB THR A 97 8.444 0.991 -8.436 1.00 0.00 C ATOM 1457 OG1 THR A 97 8.682 0.362 -9.683 1.00 0.00 O ATOM 1458 CG2 THR A 97 9.189 2.326 -8.542 1.00 0.00 C ATOM 0 H THR A 97 7.483 -1.290 -7.701 1.00 0.00 H new ATOM 0 HA THR A 97 10.168 0.010 -7.540 1.00 0.00 H new ATOM 0 HB THR A 97 7.398 1.155 -8.178 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.672 1.034 -10.396 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.708 2.952 -9.293 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.166 2.833 -7.578 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.224 2.143 -8.831 1.00 0.00 H new ATOM 1466 N HIS A 98 7.689 0.329 -5.442 1.00 0.00 N ATOM 1467 CA HIS A 98 7.349 0.841 -4.084 1.00 0.00 C ATOM 1468 C HIS A 98 7.417 -0.279 -3.045 1.00 0.00 C ATOM 1469 O HIS A 98 7.492 -1.445 -3.388 1.00 0.00 O ATOM 1470 CB HIS A 98 5.912 1.382 -4.120 1.00 0.00 C ATOM 1471 CG HIS A 98 5.921 2.831 -4.609 1.00 0.00 C ATOM 1472 ND1 HIS A 98 5.859 3.852 -3.846 1.00 0.00 N ATOM 1473 CD2 HIS A 98 5.985 3.319 -5.897 1.00 0.00 C ATOM 1474 CE1 HIS A 98 5.880 4.912 -4.580 1.00 0.00 C ATOM 1475 NE2 HIS A 98 5.958 4.650 -5.872 1.00 0.00 N ATOM 0 H HIS A 98 6.981 -0.265 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 98 8.062 1.619 -3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.298 0.769 -4.780 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.467 1.326 -3.127 1.00 0.00 H new ATOM 0 HD2 HIS A 98 6.047 2.714 -6.790 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.838 5.914 -4.178 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.990 5.303 -6.655 1.00 0.00 H new ATOM 1482 N VAL A 99 7.389 0.098 -1.794 1.00 0.00 N ATOM 1483 CA VAL A 99 7.450 -0.924 -0.712 1.00 0.00 C ATOM 1484 C VAL A 99 6.438 -0.593 0.391 1.00 0.00 C ATOM 1485 O VAL A 99 6.310 0.546 0.794 1.00 0.00 O ATOM 1486 CB VAL A 99 8.865 -0.912 -0.108 1.00 0.00 C ATOM 1487 CG1 VAL A 99 8.981 -2.024 0.940 1.00 0.00 C ATOM 1488 CG2 VAL A 99 9.891 -1.165 -1.215 1.00 0.00 C ATOM 0 H VAL A 99 7.327 1.065 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 99 7.215 -1.904 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 99 9.052 0.056 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.983 -2.017 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.247 -1.858 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.795 -2.989 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.895 -1.157 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.699 -2.135 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.811 -0.384 -1.971 1.00 0.00 H new ATOM 1498 N PRO A 100 5.728 -1.599 0.848 1.00 0.00 N ATOM 1499 CA PRO A 100 5.855 -2.981 0.344 1.00 0.00 C ATOM 1500 C PRO A 100 5.297 -3.114 -1.078 1.00 0.00 C ATOM 1501 O PRO A 100 4.413 -2.382 -1.479 1.00 0.00 O ATOM 1502 CB PRO A 100 4.992 -3.820 1.305 1.00 0.00 C ATOM 1503 CG PRO A 100 4.236 -2.839 2.237 1.00 0.00 C ATOM 1504 CD PRO A 100 4.756 -1.426 1.942 1.00 0.00 C ATOM 0 HA PRO A 100 6.898 -3.295 0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.288 -4.437 0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.617 -4.497 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.162 -2.896 2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.403 -3.098 3.282 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.945 -0.760 1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.226 -0.986 2.822 1.00 0.00 H new ATOM 1512 N PRO A 101 5.840 -4.053 -1.816 1.00 0.00 N ATOM 1513 CA PRO A 101 5.405 -4.299 -3.199 1.00 0.00 C ATOM 1514 C PRO A 101 3.907 -4.597 -3.236 1.00 0.00 C ATOM 1515 O PRO A 101 3.435 -5.478 -2.546 1.00 0.00 O ATOM 1516 CB PRO A 101 6.207 -5.536 -3.644 1.00 0.00 C ATOM 1517 CG PRO A 101 7.155 -5.928 -2.480 1.00 0.00 C ATOM 1518 CD PRO A 101 6.908 -4.944 -1.326 1.00 0.00 C ATOM 0 HA PRO A 101 5.574 -3.440 -3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.536 -6.360 -3.885 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.779 -5.317 -4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.963 -6.951 -2.158 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.195 -5.886 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 101 6.603 -5.466 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.811 -4.384 -1.083 1.00 0.00 H new ATOM 1526 N THR A 102 3.185 -3.860 -4.037 1.00 0.00 N ATOM 1527 CA THR A 102 1.717 -4.099 -4.117 1.00 0.00 C ATOM 1528 C THR A 102 1.352 -5.049 -5.251 1.00 0.00 C ATOM 1529 O THR A 102 1.599 -4.764 -6.408 1.00 0.00 O ATOM 1530 CB THR A 102 1.014 -2.761 -4.363 1.00 0.00 C ATOM 1531 OG1 THR A 102 1.774 -2.112 -5.367 1.00 0.00 O ATOM 1532 CG2 THR A 102 1.132 -1.854 -3.134 1.00 0.00 C ATOM 0 H THR A 102 3.543 -3.113 -4.632 1.00 0.00 H new ATOM 0 HA THR A 102 1.400 -4.552 -3.178 1.00 0.00 H new ATOM 0 HB THR A 102 -0.033 -2.933 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.926 -2.729 -6.113 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.626 -0.909 -3.330 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.670 -2.342 -2.276 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.184 -1.665 -2.921 1.00 0.00 H new ATOM 1540 N PHE A 103 0.773 -6.163 -4.890 1.00 0.00 N ATOM 1541 CA PHE A 103 0.371 -7.159 -5.920 1.00 0.00 C ATOM 1542 C PHE A 103 -1.144 -7.110 -6.105 1.00 0.00 C ATOM 1543 O PHE A 103 -1.808 -6.272 -5.525 1.00 0.00 O ATOM 1544 CB PHE A 103 0.765 -8.573 -5.448 1.00 0.00 C ATOM 1545 CG PHE A 103 1.964 -8.509 -4.497 1.00 0.00 C ATOM 1546 CD1 PHE A 103 1.778 -8.242 -3.153 1.00 0.00 C ATOM 1547 CD2 PHE A 103 3.244 -8.749 -4.964 1.00 0.00 C ATOM 1548 CE1 PHE A 103 2.854 -8.217 -2.289 1.00 0.00 C ATOM 1549 CE2 PHE A 103 4.320 -8.724 -4.100 1.00 0.00 C ATOM 1550 CZ PHE A 103 4.125 -8.459 -2.763 1.00 0.00 C ATOM 0 H PHE A 103 0.562 -6.424 -3.927 1.00 0.00 H new ATOM 0 HA PHE A 103 0.871 -6.928 -6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.080 -9.043 -4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.010 -9.195 -6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.784 -8.052 -2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.402 -8.957 -6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 103 2.700 -8.008 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.316 -8.912 -4.473 1.00 0.00 H new ATOM 0 HZ PHE A 103 4.967 -8.441 -2.087 1.00 0.00 H new ATOM 1560 N GLY A 104 -1.668 -7.996 -6.908 1.00 0.00 N ATOM 1561 CA GLY A 104 -3.145 -7.991 -7.121 1.00 0.00 C ATOM 1562 C GLY A 104 -3.501 -8.342 -8.564 1.00 0.00 C ATOM 1563 O GLY A 104 -2.634 -8.534 -9.397 1.00 0.00 O ATOM 0 H GLY A 104 -1.149 -8.711 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.614 -8.706 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.546 -7.008 -6.874 1.00 0.00 H new ATOM 1567 N GLY A 105 -4.781 -8.413 -8.820 1.00 0.00 N ATOM 1568 CA GLY A 105 -5.253 -8.749 -10.194 1.00 0.00 C ATOM 1569 C GLY A 105 -5.807 -10.174 -10.212 1.00 0.00 C ATOM 1570 O GLY A 105 -5.756 -10.870 -9.219 1.00 0.00 O ATOM 0 H GLY A 105 -5.520 -8.252 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.024 -8.045 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.431 -8.659 -10.904 1.00 0.00 H new ATOM 1574 N GLY A 106 -6.332 -10.578 -11.332 1.00 0.00 N ATOM 1575 CA GLY A 106 -6.888 -11.956 -11.414 1.00 0.00 C ATOM 1576 C GLY A 106 -7.670 -12.148 -12.708 1.00 0.00 C ATOM 1577 O GLY A 106 -8.861 -12.398 -12.685 1.00 0.00 O ATOM 0 H GLY A 106 -6.401 -10.023 -12.185 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.078 -12.683 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.539 -12.142 -10.560 1.00 0.00 H new ATOM 1581 N THR A 107 -6.991 -12.023 -13.816 1.00 0.00 N ATOM 1582 CA THR A 107 -7.691 -12.199 -15.112 1.00 0.00 C ATOM 1583 C THR A 107 -7.890 -13.681 -15.395 1.00 0.00 C ATOM 1584 O THR A 107 -6.960 -14.386 -15.742 1.00 0.00 O ATOM 1585 CB THR A 107 -6.847 -11.585 -16.230 1.00 0.00 C ATOM 1586 OG1 THR A 107 -6.550 -10.270 -15.797 1.00 0.00 O ATOM 1587 CG2 THR A 107 -7.697 -11.397 -17.493 1.00 0.00 C ATOM 0 H THR A 107 -5.995 -11.809 -13.877 1.00 0.00 H new ATOM 0 HA THR A 107 -8.662 -11.706 -15.065 1.00 0.00 H new ATOM 0 HB THR A 107 -5.981 -12.213 -16.436 1.00 0.00 H new ATOM 0 HG1 THR A 107 -7.361 -9.721 -15.838 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.085 -10.959 -18.282 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.077 -12.364 -17.823 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.534 -10.734 -17.273 1.00 0.00 H new ATOM 1595 N LYS A 108 -9.105 -14.123 -15.232 1.00 0.00 N ATOM 1596 CA LYS A 108 -9.408 -15.555 -15.479 1.00 0.00 C ATOM 1597 C LYS A 108 -9.445 -15.865 -16.972 1.00 0.00 C ATOM 1598 O LYS A 108 -10.382 -15.512 -17.664 1.00 0.00 O ATOM 1599 CB LYS A 108 -10.779 -15.870 -14.870 1.00 0.00 C ATOM 1600 CG LYS A 108 -10.607 -16.123 -13.371 1.00 0.00 C ATOM 1601 CD LYS A 108 -11.987 -16.221 -12.715 1.00 0.00 C ATOM 1602 CE LYS A 108 -12.405 -17.692 -12.610 1.00 0.00 C ATOM 1603 NZ LYS A 108 -13.025 -17.958 -11.280 1.00 0.00 N ATOM 0 H LYS A 108 -9.899 -13.554 -14.939 1.00 0.00 H new ATOM 0 HA LYS A 108 -8.626 -16.163 -15.025 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.465 -15.040 -15.036 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.214 -16.745 -15.353 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -10.047 -17.044 -13.207 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.032 -15.316 -12.917 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -11.962 -15.768 -11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -12.719 -15.666 -13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -13.112 -17.934 -13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.536 -18.335 -12.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -13.304 -18.958 -11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -12.339 -17.745 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -13.865 -17.357 -11.162 1.00 0.00 H new ATOM 1616 N LEU A 109 -8.416 -16.517 -17.437 1.00 0.00 N ATOM 1617 CA LEU A 109 -8.355 -16.871 -18.877 1.00 0.00 C ATOM 1618 C LEU A 109 -8.759 -18.326 -19.073 1.00 0.00 C ATOM 1619 O LEU A 109 -7.937 -19.222 -19.016 1.00 0.00 O ATOM 1620 CB LEU A 109 -6.912 -16.668 -19.361 1.00 0.00 C ATOM 1621 CG LEU A 109 -6.924 -16.357 -20.861 1.00 0.00 C ATOM 1622 CD1 LEU A 109 -6.532 -14.893 -21.072 1.00 0.00 C ATOM 1623 CD2 LEU A 109 -5.912 -17.255 -21.574 1.00 0.00 C ATOM 0 H LEU A 109 -7.616 -16.819 -16.880 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.038 -16.240 -19.445 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.443 -15.852 -18.812 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.321 -17.563 -19.168 1.00 0.00 H new ATOM 0 HG LEU A 109 -7.920 -16.536 -21.265 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -6.538 -14.665 -22.138 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -7.245 -14.248 -20.558 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.533 -14.722 -20.670 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.919 -17.035 -22.642 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.916 -17.071 -21.172 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -6.179 -18.300 -21.417 1.00 0.00 H new ATOM 1635 N GLU A 110 -10.030 -18.527 -19.286 1.00 0.00 N ATOM 1636 CA GLU A 110 -10.535 -19.908 -19.490 1.00 0.00 C ATOM 1637 C GLU A 110 -11.182 -20.057 -20.860 1.00 0.00 C ATOM 1638 O GLU A 110 -11.787 -19.134 -21.374 1.00 0.00 O ATOM 1639 CB GLU A 110 -11.594 -20.196 -18.418 1.00 0.00 C ATOM 1640 CG GLU A 110 -11.019 -21.185 -17.401 1.00 0.00 C ATOM 1641 CD GLU A 110 -12.141 -21.673 -16.483 1.00 0.00 C ATOM 1642 OE1 GLU A 110 -12.548 -20.874 -15.656 1.00 0.00 O ATOM 1643 OE2 GLU A 110 -12.527 -22.816 -16.660 1.00 0.00 O ATOM 0 H GLU A 110 -10.738 -17.794 -19.327 1.00 0.00 H new ATOM 0 HA GLU A 110 -9.699 -20.604 -19.421 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -11.886 -19.272 -17.920 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -12.492 -20.608 -18.878 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.561 -22.030 -17.916 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.235 -20.707 -16.814 1.00 0.00 H new ATOM 1650 N ILE A 111 -11.039 -21.222 -21.424 1.00 0.00 N ATOM 1651 CA ILE A 111 -11.639 -21.462 -22.762 1.00 0.00 C ATOM 1652 C ILE A 111 -13.151 -21.284 -22.701 1.00 0.00 C ATOM 1653 O ILE A 111 -13.816 -21.887 -21.878 1.00 0.00 O ATOM 1654 CB ILE A 111 -11.358 -22.902 -23.200 1.00 0.00 C ATOM 1655 CG1 ILE A 111 -9.917 -23.305 -22.885 1.00 0.00 C ATOM 1656 CG2 ILE A 111 -11.568 -22.988 -24.718 1.00 0.00 C ATOM 1657 CD1 ILE A 111 -9.787 -24.823 -23.040 1.00 0.00 C ATOM 0 H ILE A 111 -10.537 -22.012 -21.020 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.204 -20.751 -23.465 1.00 0.00 H new ATOM 0 HB ILE A 111 -12.030 -23.572 -22.664 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -9.227 -22.796 -23.558 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -9.654 -23.005 -21.871 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -11.373 -24.006 -25.055 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -12.596 -22.716 -24.959 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -10.884 -22.303 -25.219 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -8.763 -25.125 -22.818 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -10.469 -25.319 -22.350 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -10.036 -25.107 -24.063 1.00 0.00 H new ATOM 1669 N LYS A 112 -13.668 -20.466 -23.574 1.00 0.00 N ATOM 1670 CA LYS A 112 -15.134 -20.238 -23.582 1.00 0.00 C ATOM 1671 C LYS A 112 -15.879 -21.566 -23.696 1.00 0.00 C ATOM 1672 O LYS A 112 -15.587 -22.370 -24.561 1.00 0.00 O ATOM 1673 CB LYS A 112 -15.478 -19.367 -24.799 1.00 0.00 C ATOM 1674 CG LYS A 112 -16.967 -19.006 -24.763 1.00 0.00 C ATOM 1675 CD LYS A 112 -17.754 -20.015 -25.608 1.00 0.00 C ATOM 1676 CE LYS A 112 -19.254 -19.812 -25.377 1.00 0.00 C ATOM 1677 NZ LYS A 112 -19.985 -21.099 -25.550 1.00 0.00 N ATOM 0 H LYS A 112 -13.140 -19.949 -24.277 1.00 0.00 H new ATOM 0 HA LYS A 112 -15.431 -19.747 -22.655 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -14.873 -18.461 -24.794 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -15.244 -19.901 -25.720 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -17.330 -19.014 -23.735 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -17.118 -17.997 -25.147 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -17.517 -19.885 -26.664 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -17.468 -21.032 -25.340 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -19.424 -19.422 -24.374 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -19.639 -19.071 -26.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -20.728 -20.982 -26.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -19.320 -21.838 -25.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -20.418 -21.376 -24.646 1.00 0.00 H new ATOM 1690 N ARG A 113 -16.821 -21.773 -22.816 1.00 0.00 N ATOM 1691 CA ARG A 113 -17.596 -23.042 -22.858 1.00 0.00 C ATOM 1692 C ARG A 113 -18.919 -22.834 -23.588 1.00 0.00 C ATOM 1693 O ARG A 113 -19.631 -21.936 -23.166 1.00 0.00 O ATOM 1694 CB ARG A 113 -17.906 -23.477 -21.420 1.00 0.00 C ATOM 1695 CG ARG A 113 -16.616 -23.918 -20.725 1.00 0.00 C ATOM 1696 CD ARG A 113 -16.061 -25.160 -21.427 1.00 0.00 C ATOM 1697 NE ARG A 113 -15.366 -26.008 -20.416 1.00 0.00 N ATOM 1698 CZ ARG A 113 -15.173 -27.271 -20.659 1.00 0.00 C ATOM 1699 NH1 ARG A 113 -14.333 -27.607 -21.591 1.00 0.00 N ATOM 1700 NH2 ARG A 113 -15.826 -28.150 -19.960 1.00 0.00 N ATOM 1701 OXT ARG A 113 -19.146 -23.580 -24.525 1.00 0.00 O ATOM 0 H ARG A 113 -17.085 -21.123 -22.076 1.00 0.00 H new ATOM 0 HA ARG A 113 -17.009 -23.798 -23.380 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -18.363 -22.653 -20.871 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -18.626 -24.295 -21.425 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -15.882 -23.113 -20.751 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -16.812 -24.137 -19.675 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -16.868 -25.720 -21.900 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -15.369 -24.870 -22.218 1.00 0.00 H new ATOM 0 HE ARG A 113 -15.044 -25.600 -19.539 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.839 -26.886 -22.117 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -14.167 -28.592 -21.797 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -16.476 -27.845 -19.236 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -15.689 -29.145 -20.135 1.00 0.00 H new TER 1715 ARG A 113