USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 811 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 28 HIS : no HD1:sc= -0.165 X(o=0.14,f=0.074) USER MOD Set 1.2: A 77 HIS : no HE2:sc= 0.302 K(o=0.14,f=-1.6) USER MOD Set 2.1: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 88 HIS : no HD1:sc= -0.021 K(o=-0.021,f=0.59) USER MOD Set 3.1: A 55 MET CE :methyl 161:sc= -0.0758 (180deg=-0.511) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 50 GLN : amide:sc= -0.135 X(o=-0.55,f=-0.25) USER MOD Set 4.2: A 51 GLN : amide:sc= -0.417 K(o=-0.55,f=-1.6) USER MOD Set 5.1: A 36 THR OG1 : rot -75:sc= 1.24 USER MOD Set 5.2: A 38 SER OG : rot 180:sc= 0.012 USER MOD Single : A 1 MET CE :methyl -140:sc= -1.01 (180deg=-2.37!) USER MOD Single : A 4 LYS NZ :NH3+ -117:sc= 1.25 (180deg=-0.418) USER MOD Single : A 7 ASN : amide:sc= -0.0675 X(o=-0.067,f=-0.56) USER MOD Single : A 8 CYS SG : rot 75:sc= 0.122 USER MOD Single : A -1 SER OG : rot -126:sc= 1.22 USER MOD Single : A -5 GLY N :NH3+ -126:sc= 0.116 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.18! K(o=-2.2!,f=-0.037) USER MOD Single : A 12 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.12) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0123) USER MOD Single : A 22 THR OG1 : rot -14:sc= 1.01 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 171:sc= -5.61! (180deg=-6.1!) USER MOD Single : A 29 MET CE :methyl 155:sc= -1.02 (180deg=-1.35) USER MOD Single : A 31 SER OG : rot -7:sc= -0.348 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0889 (180deg=-0.409) USER MOD Single : A 45 ASN : amide:sc= -2.79! K(o=-2.8!,f=-0.9) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00685 X(o=-0.0068,f=0) USER MOD Single : A 59 MET CE :methyl -155:sc= -5.98! (180deg=-9.17!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= 0.0357 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.427 K(o=-0.43,f=-2.7!) USER MOD Single : A 67 SER OG : rot 70:sc= -0.274 USER MOD Single : A 68 TYR OH : rot 40:sc= -4.01! USER MOD Single : A 70 SER OG : rot 153:sc= 0.87 USER MOD Single : A 73 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.9!) USER MOD Single : A 80 TYR OH : rot 130:sc= -2.1! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -125:sc= 1.31 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 9.686 -14.322 -6.414 1.00 0.00 N ATOM 2 CA GLY A -5 9.111 -15.493 -7.119 1.00 0.00 C ATOM 3 C GLY A -5 7.937 -15.105 -7.998 1.00 0.00 C ATOM 4 O GLY A -5 7.670 -13.912 -8.179 1.00 0.00 O ATOM 0 H1 GLY A -5 10.707 -14.267 -6.607 1.00 0.00 H new ATOM 0 H2 GLY A -5 9.223 -13.453 -6.750 1.00 0.00 H new ATOM 0 H3 GLY A -5 9.532 -14.423 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A -5 9.882 -15.963 -7.730 1.00 0.00 H new ATOM 0 HA3 GLY A -5 8.788 -16.234 -6.388 1.00 0.00 H new ATOM 10 N PRO A -4 7.218 -16.088 -8.567 1.00 0.00 N ATOM 11 CA PRO A -4 6.064 -15.823 -9.439 1.00 0.00 C ATOM 12 C PRO A -4 4.945 -15.083 -8.717 1.00 0.00 C ATOM 13 O PRO A -4 4.191 -14.329 -9.331 1.00 0.00 O ATOM 14 CB PRO A -4 5.597 -17.221 -9.864 1.00 0.00 C ATOM 15 CG PRO A -4 6.190 -18.156 -8.867 1.00 0.00 C ATOM 16 CD PRO A -4 7.478 -17.530 -8.417 1.00 0.00 C ATOM 0 HA PRO A -4 6.334 -15.180 -10.277 1.00 0.00 H new ATOM 0 HB2 PRO A -4 4.509 -17.288 -9.867 1.00 0.00 H new ATOM 0 HB3 PRO A -4 5.934 -17.458 -10.873 1.00 0.00 H new ATOM 0 HG2 PRO A -4 5.515 -18.305 -8.024 1.00 0.00 H new ATOM 0 HG3 PRO A -4 6.368 -19.136 -9.310 1.00 0.00 H new ATOM 0 HD2 PRO A -4 7.715 -17.792 -7.386 1.00 0.00 H new ATOM 0 HD3 PRO A -4 8.319 -17.854 -9.030 1.00 0.00 H new ATOM 24 N LEU A -3 4.854 -15.289 -7.411 1.00 0.00 N ATOM 25 CA LEU A -3 3.843 -14.631 -6.596 1.00 0.00 C ATOM 26 C LEU A -3 4.503 -13.591 -5.705 1.00 0.00 C ATOM 27 O LEU A -3 5.240 -13.932 -4.777 1.00 0.00 O ATOM 28 CB LEU A -3 3.075 -15.643 -5.730 1.00 0.00 C ATOM 29 CG LEU A -3 2.115 -16.578 -6.481 1.00 0.00 C ATOM 30 CD1 LEU A -3 2.871 -17.685 -7.211 1.00 0.00 C ATOM 31 CD2 LEU A -3 1.113 -17.180 -5.517 1.00 0.00 C ATOM 0 H LEU A -3 5.473 -15.911 -6.890 1.00 0.00 H new ATOM 0 HA LEU A -3 3.130 -14.148 -7.264 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.799 -16.254 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.504 -15.092 -4.982 1.00 0.00 H new ATOM 0 HG LEU A -3 1.586 -15.985 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A -3 2.161 -18.328 -7.732 1.00 0.00 H new ATOM 0 HD12 LEU A -3 3.557 -17.242 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU A -3 3.435 -18.277 -6.490 1.00 0.00 H new ATOM 0 HD21 LEU A -3 0.438 -17.841 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A -3 1.641 -17.749 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A -3 0.539 -16.383 -5.044 1.00 0.00 H new ATOM 43 N GLY A -2 4.254 -12.325 -5.995 1.00 0.00 N ATOM 44 CA GLY A -2 4.846 -11.263 -5.212 1.00 0.00 C ATOM 45 C GLY A -2 5.893 -10.490 -5.987 1.00 0.00 C ATOM 46 O GLY A -2 6.962 -10.168 -5.460 1.00 0.00 O ATOM 0 H GLY A -2 3.653 -12.014 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A -2 4.064 -10.579 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A -2 5.300 -11.686 -4.315 1.00 0.00 H new ATOM 50 N SER A -1 5.585 -10.188 -7.242 1.00 0.00 N ATOM 51 CA SER A -1 6.494 -9.441 -8.097 1.00 0.00 C ATOM 52 C SER A -1 5.722 -8.721 -9.199 1.00 0.00 C ATOM 53 O SER A -1 4.872 -9.312 -9.865 1.00 0.00 O ATOM 54 CB SER A -1 7.551 -10.377 -8.698 1.00 0.00 C ATOM 55 OG SER A -1 6.955 -11.525 -9.282 1.00 0.00 O ATOM 0 H SER A -1 4.708 -10.451 -7.691 1.00 0.00 H new ATOM 0 HA SER A -1 7.003 -8.691 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A -1 8.127 -9.841 -9.452 1.00 0.00 H new ATOM 0 HB3 SER A -1 8.251 -10.684 -7.921 1.00 0.00 H new ATOM 0 HG SER A -1 7.367 -12.333 -8.910 1.00 0.00 H new ATOM 61 N MET A 1 6.012 -7.437 -9.390 1.00 0.00 N ATOM 62 CA MET A 1 5.346 -6.658 -10.415 1.00 0.00 C ATOM 63 C MET A 1 6.258 -6.504 -11.624 1.00 0.00 C ATOM 64 O MET A 1 7.367 -7.039 -11.656 1.00 0.00 O ATOM 65 CB MET A 1 4.921 -5.277 -9.891 1.00 0.00 C ATOM 66 CG MET A 1 6.056 -4.280 -9.733 1.00 0.00 C ATOM 67 SD MET A 1 7.319 -4.816 -8.566 1.00 0.00 S ATOM 68 CE MET A 1 6.423 -4.655 -7.028 1.00 0.00 C ATOM 0 H MET A 1 6.703 -6.920 -8.847 1.00 0.00 H new ATOM 0 HA MET A 1 4.442 -7.192 -10.708 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.180 -4.858 -10.571 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.431 -5.405 -8.926 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.519 -4.110 -10.705 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.648 -3.325 -9.402 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.085 -4.250 -6.262 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.576 -3.983 -7.169 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.061 -5.634 -6.714 1.00 0.00 H new ATOM 78 N ASP A 2 5.791 -5.757 -12.597 1.00 0.00 N ATOM 79 CA ASP A 2 6.555 -5.515 -13.799 1.00 0.00 C ATOM 80 C ASP A 2 7.659 -4.519 -13.501 1.00 0.00 C ATOM 81 O ASP A 2 7.402 -3.449 -12.960 1.00 0.00 O ATOM 82 CB ASP A 2 5.620 -5.023 -14.912 1.00 0.00 C ATOM 83 CG ASP A 2 6.315 -4.861 -16.244 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.109 -3.918 -16.392 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.067 -5.679 -17.150 1.00 0.00 O ATOM 0 H ASP A 2 4.878 -5.303 -12.579 1.00 0.00 H new ATOM 0 HA ASP A 2 7.022 -6.437 -14.144 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.795 -5.727 -15.023 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.186 -4.068 -14.617 1.00 0.00 H new ATOM 90 N ALA A 3 8.889 -4.903 -13.825 1.00 0.00 N ATOM 91 CA ALA A 3 10.056 -4.067 -13.572 1.00 0.00 C ATOM 92 C ALA A 3 9.933 -2.730 -14.281 1.00 0.00 C ATOM 93 O ALA A 3 10.175 -1.685 -13.688 1.00 0.00 O ATOM 94 CB ALA A 3 11.327 -4.787 -13.999 1.00 0.00 C ATOM 0 H ALA A 3 9.104 -5.797 -14.267 1.00 0.00 H new ATOM 0 HA ALA A 3 10.110 -3.874 -12.501 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.189 -4.150 -13.804 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.426 -5.715 -13.436 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.277 -5.013 -15.064 1.00 0.00 H new ATOM 100 N LYS A 4 9.528 -2.770 -15.540 1.00 0.00 N ATOM 101 CA LYS A 4 9.342 -1.564 -16.328 1.00 0.00 C ATOM 102 C LYS A 4 8.247 -0.704 -15.697 1.00 0.00 C ATOM 103 O LYS A 4 8.372 0.516 -15.626 1.00 0.00 O ATOM 104 CB LYS A 4 8.991 -1.963 -17.778 1.00 0.00 C ATOM 105 CG LYS A 4 8.762 -0.813 -18.749 1.00 0.00 C ATOM 106 CD LYS A 4 7.365 -0.213 -18.623 1.00 0.00 C ATOM 107 CE LYS A 4 6.908 0.436 -19.916 1.00 0.00 C ATOM 108 NZ LYS A 4 6.571 -0.576 -20.962 1.00 0.00 N ATOM 0 H LYS A 4 9.320 -3.634 -16.041 1.00 0.00 H new ATOM 0 HA LYS A 4 10.258 -0.973 -16.346 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.796 -2.586 -18.167 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.092 -2.579 -17.757 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.505 -0.036 -18.569 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.911 -1.167 -19.769 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.659 -0.994 -18.340 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.359 0.528 -17.823 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.035 1.059 -19.720 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.693 1.094 -20.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.215 -0.466 -21.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.673 -1.532 -20.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.590 -0.435 -21.278 1.00 0.00 H new ATOM 122 N ALA A 5 7.191 -1.354 -15.216 1.00 0.00 N ATOM 123 CA ALA A 5 6.090 -0.664 -14.572 1.00 0.00 C ATOM 124 C ALA A 5 6.541 -0.045 -13.257 1.00 0.00 C ATOM 125 O ALA A 5 6.423 1.163 -13.043 1.00 0.00 O ATOM 126 CB ALA A 5 4.966 -1.660 -14.320 1.00 0.00 C ATOM 0 H ALA A 5 7.079 -2.367 -15.264 1.00 0.00 H new ATOM 0 HA ALA A 5 5.738 0.138 -15.221 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.132 -1.152 -13.836 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.633 -2.081 -15.269 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.327 -2.461 -13.675 1.00 0.00 H new ATOM 132 N ARG A 6 7.055 -0.891 -12.376 1.00 0.00 N ATOM 133 CA ARG A 6 7.508 -0.461 -11.060 1.00 0.00 C ATOM 134 C ARG A 6 8.604 0.604 -11.149 1.00 0.00 C ATOM 135 O ARG A 6 8.681 1.511 -10.315 1.00 0.00 O ATOM 136 CB ARG A 6 7.991 -1.685 -10.276 1.00 0.00 C ATOM 137 CG ARG A 6 7.922 -1.509 -8.763 1.00 0.00 C ATOM 138 CD ARG A 6 9.056 -0.656 -8.235 1.00 0.00 C ATOM 139 NE ARG A 6 10.321 -1.390 -8.202 1.00 0.00 N ATOM 140 CZ ARG A 6 11.505 -0.839 -7.970 1.00 0.00 C ATOM 141 NH1 ARG A 6 11.610 0.464 -7.804 1.00 0.00 N ATOM 142 NH2 ARG A 6 12.592 -1.590 -7.929 1.00 0.00 N ATOM 0 H ARG A 6 7.170 -1.889 -12.551 1.00 0.00 H new ATOM 0 HA ARG A 6 6.671 0.002 -10.537 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.390 -2.548 -10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.020 -1.905 -10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.970 -1.051 -8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.951 -2.487 -8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.166 0.229 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.812 -0.308 -7.231 1.00 0.00 H new ATOM 0 HE ARG A 6 10.290 -2.396 -8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.779 1.053 -7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.522 0.884 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.522 -2.597 -8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.501 -1.163 -7.750 1.00 0.00 H new ATOM 156 N ASN A 7 9.439 0.495 -12.162 1.00 0.00 N ATOM 157 CA ASN A 7 10.519 1.447 -12.364 1.00 0.00 C ATOM 158 C ASN A 7 10.005 2.747 -12.931 1.00 0.00 C ATOM 159 O ASN A 7 10.316 3.784 -12.395 1.00 0.00 O ATOM 160 CB ASN A 7 11.624 0.875 -13.252 1.00 0.00 C ATOM 161 CG ASN A 7 12.618 0.027 -12.476 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.091 0.425 -11.413 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.953 -1.137 -13.009 1.00 0.00 N ATOM 0 H ASN A 7 9.392 -0.245 -12.862 1.00 0.00 H new ATOM 0 HA ASN A 7 10.951 1.647 -11.384 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.175 0.271 -14.041 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.153 1.694 -13.740 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.626 -1.740 -12.536 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.538 -1.431 -13.893 1.00 0.00 H new ATOM 170 N CYS A 8 9.190 2.711 -13.980 1.00 0.00 N ATOM 171 CA CYS A 8 8.632 3.944 -14.545 1.00 0.00 C ATOM 172 C CYS A 8 7.893 4.731 -13.463 1.00 0.00 C ATOM 173 O CYS A 8 7.740 5.948 -13.547 1.00 0.00 O ATOM 174 CB CYS A 8 7.679 3.620 -15.701 1.00 0.00 C ATOM 175 SG CYS A 8 8.500 3.017 -17.195 1.00 0.00 S ATOM 0 H CYS A 8 8.901 1.855 -14.454 1.00 0.00 H new ATOM 0 HA CYS A 8 9.452 4.552 -14.928 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.962 2.870 -15.366 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.110 4.516 -15.950 1.00 0.00 H new ATOM 0 HG CYS A 8 8.877 1.786 -17.016 1.00 0.00 H new ATOM 181 N LEU A 9 7.476 4.015 -12.433 1.00 0.00 N ATOM 182 CA LEU A 9 6.788 4.590 -11.300 1.00 0.00 C ATOM 183 C LEU A 9 7.754 5.413 -10.445 1.00 0.00 C ATOM 184 O LEU A 9 7.549 6.603 -10.231 1.00 0.00 O ATOM 185 CB LEU A 9 6.161 3.448 -10.486 1.00 0.00 C ATOM 186 CG LEU A 9 6.005 3.703 -8.995 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.823 4.617 -8.725 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.857 2.392 -8.248 1.00 0.00 C ATOM 0 H LEU A 9 7.609 3.006 -12.363 1.00 0.00 H new ATOM 0 HA LEU A 9 6.004 5.266 -11.641 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.178 3.228 -10.902 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.771 2.555 -10.620 1.00 0.00 H new ATOM 0 HG LEU A 9 6.904 4.203 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.731 4.785 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.978 5.571 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.911 4.152 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.746 2.591 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.976 1.863 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.742 1.778 -8.412 1.00 0.00 H new ATOM 200 N LEU A 10 8.810 4.771 -9.960 1.00 0.00 N ATOM 201 CA LEU A 10 9.785 5.457 -9.110 1.00 0.00 C ATOM 202 C LEU A 10 10.888 6.177 -9.908 1.00 0.00 C ATOM 203 O LEU A 10 11.601 7.021 -9.366 1.00 0.00 O ATOM 204 CB LEU A 10 10.379 4.451 -8.133 1.00 0.00 C ATOM 205 CG LEU A 10 9.607 4.272 -6.829 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.113 3.048 -6.077 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.752 5.516 -5.962 1.00 0.00 C ATOM 0 H LEU A 10 9.015 3.787 -10.136 1.00 0.00 H new ATOM 0 HA LEU A 10 9.262 6.244 -8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.448 3.484 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.397 4.760 -7.894 1.00 0.00 H new ATOM 0 HG LEU A 10 8.553 4.125 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.553 2.934 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.978 2.160 -6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.171 3.173 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.198 5.379 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.805 5.680 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.357 6.380 -6.496 1.00 0.00 H new ATOM 219 N GLN A 11 11.020 5.848 -11.187 1.00 0.00 N ATOM 220 CA GLN A 11 12.026 6.467 -12.060 1.00 0.00 C ATOM 221 C GLN A 11 11.652 7.909 -12.327 1.00 0.00 C ATOM 222 O GLN A 11 12.514 8.783 -12.426 1.00 0.00 O ATOM 223 CB GLN A 11 12.135 5.710 -13.386 1.00 0.00 C ATOM 224 CG GLN A 11 13.210 6.232 -14.333 1.00 0.00 C ATOM 225 CD GLN A 11 13.096 5.638 -15.729 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.932 5.895 -16.594 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.059 4.844 -15.961 1.00 0.00 N ATOM 0 H GLN A 11 10.440 5.150 -11.652 1.00 0.00 H new ATOM 0 HA GLN A 11 12.992 6.426 -11.557 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.336 4.660 -13.173 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.171 5.753 -13.893 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.137 7.318 -14.397 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.193 6.002 -13.923 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.386 4.654 -15.218 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.935 4.424 -16.882 1.00 0.00 H new ATOM 236 N HIS A 12 10.353 8.160 -12.393 1.00 0.00 N ATOM 237 CA HIS A 12 9.844 9.499 -12.592 1.00 0.00 C ATOM 238 C HIS A 12 9.735 10.181 -11.245 1.00 0.00 C ATOM 239 O HIS A 12 8.754 10.856 -10.962 1.00 0.00 O ATOM 240 CB HIS A 12 8.476 9.479 -13.279 1.00 0.00 C ATOM 241 CG HIS A 12 8.537 9.205 -14.750 1.00 0.00 C ATOM 242 ND1 HIS A 12 9.289 9.953 -15.633 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.919 8.263 -15.496 1.00 0.00 C ATOM 244 CE1 HIS A 12 9.123 9.484 -16.857 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.298 8.459 -16.799 1.00 0.00 N ATOM 0 H HIS A 12 9.631 7.444 -12.310 1.00 0.00 H new ATOM 0 HA HIS A 12 10.530 10.045 -13.239 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.853 8.721 -12.804 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.986 10.440 -13.119 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.250 7.497 -15.133 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.585 9.874 -17.752 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.990 7.901 -17.595 1.00 0.00 H new ATOM 254 N ARG A 13 10.755 9.967 -10.416 1.00 0.00 N ATOM 255 CA ARG A 13 10.820 10.531 -9.068 1.00 0.00 C ATOM 256 C ARG A 13 10.611 12.039 -9.072 1.00 0.00 C ATOM 257 O ARG A 13 10.110 12.592 -8.095 1.00 0.00 O ATOM 258 CB ARG A 13 12.143 10.184 -8.393 1.00 0.00 C ATOM 259 CG ARG A 13 12.199 10.631 -6.942 1.00 0.00 C ATOM 260 CD ARG A 13 12.695 9.531 -6.025 1.00 0.00 C ATOM 261 NE ARG A 13 14.116 9.245 -6.239 1.00 0.00 N ATOM 262 CZ ARG A 13 14.830 8.405 -5.494 1.00 0.00 C ATOM 263 NH1 ARG A 13 14.280 7.793 -4.463 1.00 0.00 N ATOM 264 NH2 ARG A 13 16.098 8.172 -5.782 1.00 0.00 N ATOM 0 H ARG A 13 11.563 9.395 -10.661 1.00 0.00 H new ATOM 0 HA ARG A 13 10.007 10.083 -8.497 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.299 9.106 -8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.960 10.650 -8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.854 11.498 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.206 10.949 -6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.535 9.823 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.112 8.626 -6.195 1.00 0.00 H new ATOM 0 HE ARG A 13 14.588 9.720 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.301 7.962 -4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.834 7.150 -3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.534 8.637 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.641 7.527 -5.208 1.00 0.00 H new ATOM 278 N GLU A 14 10.949 12.691 -10.186 1.00 0.00 N ATOM 279 CA GLU A 14 10.744 14.128 -10.320 1.00 0.00 C ATOM 280 C GLU A 14 9.267 14.445 -10.109 1.00 0.00 C ATOM 281 O GLU A 14 8.906 15.540 -9.682 1.00 0.00 O ATOM 282 CB GLU A 14 11.205 14.614 -11.701 1.00 0.00 C ATOM 283 CG GLU A 14 11.158 16.127 -11.870 1.00 0.00 C ATOM 284 CD GLU A 14 12.107 16.857 -10.936 1.00 0.00 C ATOM 285 OE1 GLU A 14 12.902 16.186 -10.246 1.00 0.00 O ATOM 286 OE2 GLU A 14 12.072 18.102 -10.900 1.00 0.00 O ATOM 0 H GLU A 14 11.364 12.245 -11.004 1.00 0.00 H new ATOM 0 HA GLU A 14 11.337 14.647 -9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.225 14.270 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.579 14.153 -12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.405 16.380 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.141 16.476 -11.691 1.00 0.00 H new ATOM 293 N ALA A 15 8.422 13.455 -10.386 1.00 0.00 N ATOM 294 CA ALA A 15 6.987 13.589 -10.204 1.00 0.00 C ATOM 295 C ALA A 15 6.512 12.668 -9.074 1.00 0.00 C ATOM 296 O ALA A 15 5.518 12.958 -8.406 1.00 0.00 O ATOM 297 CB ALA A 15 6.261 13.275 -11.501 1.00 0.00 C ATOM 0 H ALA A 15 8.715 12.544 -10.741 1.00 0.00 H new ATOM 0 HA ALA A 15 6.758 14.618 -9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.186 13.379 -11.351 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.588 13.967 -12.277 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.487 12.253 -11.807 1.00 0.00 H new ATOM 303 N LEU A 16 7.244 11.561 -8.877 1.00 0.00 N ATOM 304 CA LEU A 16 6.947 10.567 -7.837 1.00 0.00 C ATOM 305 C LEU A 16 6.744 11.238 -6.486 1.00 0.00 C ATOM 306 O LEU A 16 5.620 11.477 -6.080 1.00 0.00 O ATOM 307 CB LEU A 16 8.084 9.529 -7.755 1.00 0.00 C ATOM 308 CG LEU A 16 7.754 8.211 -7.038 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.719 8.387 -5.523 1.00 0.00 C ATOM 310 CD2 LEU A 16 6.433 7.653 -7.540 1.00 0.00 C ATOM 0 H LEU A 16 8.063 11.330 -9.439 1.00 0.00 H new ATOM 0 HA LEU A 16 6.021 10.057 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.407 9.295 -8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.932 9.990 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 16 8.548 7.501 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.482 7.433 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.692 8.733 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.957 9.121 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.213 6.719 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.637 8.372 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.500 7.467 -8.612 1.00 0.00 H new ATOM 322 N GLU A 17 7.838 11.534 -5.788 1.00 0.00 N ATOM 323 CA GLU A 17 7.755 12.152 -4.463 1.00 0.00 C ATOM 324 C GLU A 17 7.241 13.590 -4.529 1.00 0.00 C ATOM 325 O GLU A 17 7.100 14.262 -3.508 1.00 0.00 O ATOM 326 CB GLU A 17 9.121 12.110 -3.765 1.00 0.00 C ATOM 327 CG GLU A 17 9.044 12.385 -2.271 1.00 0.00 C ATOM 328 CD GLU A 17 10.404 12.551 -1.631 1.00 0.00 C ATOM 329 OE1 GLU A 17 11.421 12.451 -2.342 1.00 0.00 O ATOM 330 OE2 GLU A 17 10.458 12.797 -0.406 1.00 0.00 O ATOM 0 H GLU A 17 8.788 11.358 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 17 7.036 11.574 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.572 11.131 -3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.780 12.844 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.457 13.288 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.516 11.566 -1.783 1.00 0.00 H new ATOM 337 N LYS A 18 6.932 14.052 -5.727 1.00 0.00 N ATOM 338 CA LYS A 18 6.416 15.399 -5.902 1.00 0.00 C ATOM 339 C LYS A 18 4.911 15.423 -5.645 1.00 0.00 C ATOM 340 O LYS A 18 4.410 16.325 -4.973 1.00 0.00 O ATOM 341 CB LYS A 18 6.723 15.924 -7.307 1.00 0.00 C ATOM 342 CG LYS A 18 6.260 17.358 -7.546 1.00 0.00 C ATOM 343 CD LYS A 18 6.613 17.824 -8.943 1.00 0.00 C ATOM 344 CE LYS A 18 6.161 19.252 -9.189 1.00 0.00 C ATOM 345 NZ LYS A 18 6.539 19.741 -10.544 1.00 0.00 N ATOM 0 H LYS A 18 7.028 13.518 -6.590 1.00 0.00 H new ATOM 0 HA LYS A 18 6.909 16.051 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.798 15.866 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.247 15.272 -8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.182 17.424 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.722 18.019 -6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.691 17.753 -9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.148 17.164 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.079 19.313 -9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.600 19.905 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.209 20.720 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.573 19.709 -10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.099 19.136 -11.267 1.00 0.00 H new ATOM 359 N ASP A 19 4.194 14.448 -6.201 1.00 0.00 N ATOM 360 CA ASP A 19 2.740 14.390 -6.046 1.00 0.00 C ATOM 361 C ASP A 19 2.241 13.071 -5.450 1.00 0.00 C ATOM 362 O ASP A 19 1.038 12.899 -5.266 1.00 0.00 O ATOM 363 CB ASP A 19 2.068 14.614 -7.405 1.00 0.00 C ATOM 364 CG ASP A 19 2.024 16.076 -7.810 1.00 0.00 C ATOM 365 OD1 ASP A 19 2.454 16.938 -7.016 1.00 0.00 O ATOM 366 OD2 ASP A 19 1.553 16.372 -8.927 1.00 0.00 O ATOM 0 H ASP A 19 4.592 13.692 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 19 2.473 15.178 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.603 14.047 -8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.052 14.221 -7.371 1.00 0.00 H new ATOM 371 N ILE A 20 3.135 12.133 -5.145 1.00 0.00 N ATOM 372 CA ILE A 20 2.708 10.854 -4.578 1.00 0.00 C ATOM 373 C ILE A 20 2.122 11.066 -3.167 1.00 0.00 C ATOM 374 O ILE A 20 2.828 11.386 -2.205 1.00 0.00 O ATOM 375 CB ILE A 20 3.856 9.792 -4.610 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.306 8.363 -4.506 1.00 0.00 C ATOM 377 CG2 ILE A 20 4.916 10.030 -3.539 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.311 7.304 -4.942 1.00 0.00 C ATOM 0 H ILE A 20 4.142 12.230 -5.277 1.00 0.00 H new ATOM 0 HA ILE A 20 1.913 10.444 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 20 4.343 9.910 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.006 8.169 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.409 8.279 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.686 9.261 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.368 11.011 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.453 9.988 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.863 6.315 -4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.592 7.475 -5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.198 7.363 -4.312 1.00 0.00 H new ATOM 390 N LYS A 21 0.803 10.949 -3.073 1.00 0.00 N ATOM 391 CA LYS A 21 0.091 11.172 -1.808 1.00 0.00 C ATOM 392 C LYS A 21 -0.205 9.844 -1.108 1.00 0.00 C ATOM 393 O LYS A 21 -0.240 8.791 -1.747 1.00 0.00 O ATOM 394 CB LYS A 21 -1.206 11.943 -2.071 1.00 0.00 C ATOM 395 CG LYS A 21 -1.506 13.015 -1.036 1.00 0.00 C ATOM 396 CD LYS A 21 -2.822 13.717 -1.326 1.00 0.00 C ATOM 397 CE LYS A 21 -3.112 14.818 -0.314 1.00 0.00 C ATOM 398 NZ LYS A 21 -2.220 15.997 -0.490 1.00 0.00 N ATOM 0 H LYS A 21 0.198 10.701 -3.856 1.00 0.00 H new ATOM 0 HA LYS A 21 0.727 11.763 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.147 12.408 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.037 11.238 -2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.544 12.564 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.698 13.746 -1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.793 14.144 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.633 12.989 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.151 15.133 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.992 14.422 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.510 16.752 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.238 15.722 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.289 16.341 -1.469 1.00 0.00 H new ATOM 412 N THR A 22 -0.382 9.886 0.212 1.00 0.00 N ATOM 413 CA THR A 22 -0.631 8.671 0.982 1.00 0.00 C ATOM 414 C THR A 22 -1.948 8.703 1.773 1.00 0.00 C ATOM 415 O THR A 22 -2.267 7.755 2.489 1.00 0.00 O ATOM 416 CB THR A 22 0.552 8.411 1.945 1.00 0.00 C ATOM 417 OG1 THR A 22 0.294 7.283 2.793 1.00 0.00 O ATOM 418 CG2 THR A 22 0.830 9.635 2.799 1.00 0.00 C ATOM 0 H THR A 22 -0.358 10.742 0.766 1.00 0.00 H new ATOM 0 HA THR A 22 -0.723 7.860 0.260 1.00 0.00 H new ATOM 0 HB THR A 22 1.428 8.195 1.334 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.657 7.050 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.665 9.430 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.080 10.479 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.055 9.877 3.387 1.00 0.00 H new ATOM 426 N SER A 23 -2.701 9.780 1.674 1.00 0.00 N ATOM 427 CA SER A 23 -3.955 9.874 2.420 1.00 0.00 C ATOM 428 C SER A 23 -5.109 9.150 1.709 1.00 0.00 C ATOM 429 O SER A 23 -5.399 7.990 2.005 1.00 0.00 O ATOM 430 CB SER A 23 -4.322 11.340 2.675 1.00 0.00 C ATOM 431 OG SER A 23 -3.310 12.005 3.415 1.00 0.00 O ATOM 0 H SER A 23 -2.479 10.592 1.098 1.00 0.00 H new ATOM 0 HA SER A 23 -3.798 9.375 3.376 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.474 11.850 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.266 11.391 3.218 1.00 0.00 H new ATOM 0 HG SER A 23 -3.571 12.938 3.561 1.00 0.00 H new ATOM 437 N TYR A 24 -5.772 9.842 0.791 1.00 0.00 N ATOM 438 CA TYR A 24 -6.911 9.287 0.055 1.00 0.00 C ATOM 439 C TYR A 24 -6.538 8.077 -0.793 1.00 0.00 C ATOM 440 O TYR A 24 -7.298 7.103 -0.868 1.00 0.00 O ATOM 441 CB TYR A 24 -7.510 10.370 -0.832 1.00 0.00 C ATOM 442 CG TYR A 24 -8.387 11.352 -0.084 1.00 0.00 C ATOM 443 CD1 TYR A 24 -8.063 11.748 1.207 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.537 11.873 -0.660 1.00 0.00 C ATOM 445 CE1 TYR A 24 -8.855 12.634 1.899 1.00 0.00 C ATOM 446 CE2 TYR A 24 -10.336 12.763 0.032 1.00 0.00 C ATOM 447 CZ TYR A 24 -9.989 13.140 1.311 1.00 0.00 C ATOM 448 OH TYR A 24 -10.780 14.021 2.010 1.00 0.00 O ATOM 0 H TYR A 24 -5.540 10.801 0.533 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.638 8.945 0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.702 10.916 -1.320 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.097 9.899 -1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.174 11.353 1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.811 11.579 -1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.586 12.931 2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.228 13.161 -0.428 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.543 14.287 1.455 1.00 0.00 H new ATOM 458 N ILE A 25 -5.379 8.141 -1.433 1.00 0.00 N ATOM 459 CA ILE A 25 -4.904 7.056 -2.282 1.00 0.00 C ATOM 460 C ILE A 25 -4.810 5.749 -1.491 1.00 0.00 C ATOM 461 O ILE A 25 -5.265 4.696 -1.933 1.00 0.00 O ATOM 462 CB ILE A 25 -3.533 7.422 -2.892 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.697 8.613 -3.833 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.913 6.235 -3.613 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.396 9.144 -4.362 1.00 0.00 C ATOM 0 H ILE A 25 -4.746 8.939 -1.380 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.620 6.909 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.852 7.697 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.328 8.319 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.219 9.412 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.949 6.526 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.771 5.415 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.574 5.912 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.590 9.989 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.771 9.470 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.881 8.359 -4.917 1.00 0.00 H new ATOM 477 N MET A 26 -4.243 5.840 -0.307 1.00 0.00 N ATOM 478 CA MET A 26 -4.100 4.694 0.569 1.00 0.00 C ATOM 479 C MET A 26 -5.428 4.340 1.238 1.00 0.00 C ATOM 480 O MET A 26 -5.614 3.226 1.721 1.00 0.00 O ATOM 481 CB MET A 26 -3.051 5.012 1.635 1.00 0.00 C ATOM 482 CG MET A 26 -3.003 4.023 2.792 1.00 0.00 C ATOM 483 SD MET A 26 -2.131 4.687 4.220 1.00 0.00 S ATOM 484 CE MET A 26 -2.269 3.324 5.368 1.00 0.00 C ATOM 0 H MET A 26 -3.868 6.708 0.076 1.00 0.00 H new ATOM 0 HA MET A 26 -3.785 3.836 -0.025 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.070 5.045 1.162 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.247 6.008 2.033 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.019 3.756 3.081 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.513 3.106 2.464 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.643 3.517 6.239 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.307 3.217 5.683 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.941 2.405 4.883 1.00 0.00 H new ATOM 494 N ASP A 27 -6.366 5.278 1.260 1.00 0.00 N ATOM 495 CA ASP A 27 -7.654 5.016 1.895 1.00 0.00 C ATOM 496 C ASP A 27 -8.477 4.098 1.014 1.00 0.00 C ATOM 497 O ASP A 27 -9.127 3.167 1.486 1.00 0.00 O ATOM 498 CB ASP A 27 -8.397 6.335 2.161 1.00 0.00 C ATOM 499 CG ASP A 27 -9.496 6.205 3.195 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.479 5.472 2.951 1.00 0.00 O ATOM 501 OD2 ASP A 27 -9.387 6.852 4.257 1.00 0.00 O ATOM 0 H ASP A 27 -6.265 6.209 0.855 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.490 4.525 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.681 7.086 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.827 6.696 1.227 1.00 0.00 H new ATOM 506 N HIS A 28 -8.415 4.358 -0.273 1.00 0.00 N ATOM 507 CA HIS A 28 -9.134 3.560 -1.244 1.00 0.00 C ATOM 508 C HIS A 28 -8.461 2.211 -1.453 1.00 0.00 C ATOM 509 O HIS A 28 -9.110 1.239 -1.825 1.00 0.00 O ATOM 510 CB HIS A 28 -9.243 4.323 -2.563 1.00 0.00 C ATOM 511 CG HIS A 28 -10.214 5.458 -2.497 1.00 0.00 C ATOM 512 ND1 HIS A 28 -11.578 5.282 -2.517 1.00 0.00 N ATOM 513 CD2 HIS A 28 -10.012 6.789 -2.357 1.00 0.00 C ATOM 514 CE1 HIS A 28 -12.175 6.451 -2.398 1.00 0.00 C ATOM 515 NE2 HIS A 28 -11.248 7.384 -2.302 1.00 0.00 N ATOM 0 H HIS A 28 -7.870 5.121 -0.675 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.137 3.370 -0.862 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.261 4.707 -2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.548 3.635 -3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.057 7.290 -2.299 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.242 6.617 -2.382 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.421 8.384 -2.203 1.00 0.00 H new ATOM 524 N MET A 29 -7.155 2.149 -1.218 1.00 0.00 N ATOM 525 CA MET A 29 -6.426 0.899 -1.403 1.00 0.00 C ATOM 526 C MET A 29 -6.661 -0.067 -0.240 1.00 0.00 C ATOM 527 O MET A 29 -6.666 -1.285 -0.429 1.00 0.00 O ATOM 528 CB MET A 29 -4.931 1.154 -1.587 1.00 0.00 C ATOM 529 CG MET A 29 -4.194 -0.047 -2.152 1.00 0.00 C ATOM 530 SD MET A 29 -2.456 0.287 -2.504 1.00 0.00 S ATOM 531 CE MET A 29 -1.954 -1.307 -3.141 1.00 0.00 C ATOM 0 H MET A 29 -6.587 2.936 -0.904 1.00 0.00 H new ATOM 0 HA MET A 29 -6.811 0.434 -2.311 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.792 2.006 -2.252 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.492 1.425 -0.627 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.262 -0.873 -1.444 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.688 -0.370 -3.068 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.093 -1.182 -3.798 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.686 -1.962 -2.312 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.777 -1.750 -3.702 1.00 0.00 H new ATOM 541 N ILE A 30 -6.886 0.470 0.959 1.00 0.00 N ATOM 542 CA ILE A 30 -7.150 -0.371 2.123 1.00 0.00 C ATOM 543 C ILE A 30 -8.590 -0.855 2.076 1.00 0.00 C ATOM 544 O ILE A 30 -8.870 -2.021 2.340 1.00 0.00 O ATOM 545 CB ILE A 30 -6.940 0.374 3.451 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.515 0.931 3.554 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.223 -0.538 4.644 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.221 1.592 4.878 1.00 0.00 C ATOM 0 H ILE A 30 -6.891 1.472 1.148 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.445 -1.201 2.083 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.644 1.206 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.804 0.120 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.357 1.654 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.066 0.015 5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.255 -0.886 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.550 -1.395 4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.196 1.962 4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.908 2.425 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.346 0.867 5.682 1.00 0.00 H new ATOM 560 N SER A 31 -9.495 0.052 1.718 1.00 0.00 N ATOM 561 CA SER A 31 -10.906 -0.286 1.614 1.00 0.00 C ATOM 562 C SER A 31 -11.093 -1.295 0.494 1.00 0.00 C ATOM 563 O SER A 31 -12.035 -2.093 0.503 1.00 0.00 O ATOM 564 CB SER A 31 -11.748 0.967 1.350 1.00 0.00 C ATOM 565 OG SER A 31 -11.332 1.624 0.166 1.00 0.00 O ATOM 0 H SER A 31 -9.275 1.023 1.496 1.00 0.00 H new ATOM 0 HA SER A 31 -11.241 -0.720 2.556 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.799 0.691 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.665 1.649 2.196 1.00 0.00 H new ATOM 0 HG SER A 31 -10.521 1.195 -0.178 1.00 0.00 H new ATOM 571 N ASP A 32 -10.158 -1.269 -0.458 1.00 0.00 N ATOM 572 CA ASP A 32 -10.174 -2.190 -1.576 1.00 0.00 C ATOM 573 C ASP A 32 -9.773 -3.566 -1.080 1.00 0.00 C ATOM 574 O ASP A 32 -10.219 -4.588 -1.606 1.00 0.00 O ATOM 575 CB ASP A 32 -9.213 -1.722 -2.673 1.00 0.00 C ATOM 576 CG ASP A 32 -9.721 -2.049 -4.060 1.00 0.00 C ATOM 577 OD1 ASP A 32 -9.899 -3.243 -4.365 1.00 0.00 O ATOM 578 OD2 ASP A 32 -9.959 -1.104 -4.841 1.00 0.00 O ATOM 0 H ASP A 32 -9.378 -0.612 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.177 -2.228 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.064 -0.646 -2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.240 -2.191 -2.525 1.00 0.00 H new ATOM 583 N GLY A 33 -8.955 -3.589 -0.030 1.00 0.00 N ATOM 584 CA GLY A 33 -8.548 -4.855 0.545 1.00 0.00 C ATOM 585 C GLY A 33 -7.141 -5.273 0.176 1.00 0.00 C ATOM 586 O GLY A 33 -6.674 -6.320 0.613 1.00 0.00 O ATOM 0 H GLY A 33 -8.572 -2.762 0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.624 -4.791 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.243 -5.630 0.222 1.00 0.00 H new ATOM 590 N PHE A 34 -6.446 -4.469 -0.614 1.00 0.00 N ATOM 591 CA PHE A 34 -5.081 -4.813 -0.985 1.00 0.00 C ATOM 592 C PHE A 34 -4.142 -4.465 0.154 1.00 0.00 C ATOM 593 O PHE A 34 -3.187 -5.195 0.444 1.00 0.00 O ATOM 594 CB PHE A 34 -4.665 -4.127 -2.284 1.00 0.00 C ATOM 595 CG PHE A 34 -5.312 -4.733 -3.493 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.671 -4.593 -3.714 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.562 -5.449 -4.410 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.267 -5.145 -4.833 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.151 -5.998 -5.527 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.498 -5.853 -5.735 1.00 0.00 C ATOM 0 H PHE A 34 -6.794 -3.593 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.027 -5.886 -1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.924 -3.070 -2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.582 -4.185 -2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.273 -4.046 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.502 -5.579 -4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.327 -5.023 -5.000 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.551 -6.544 -6.240 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.959 -6.294 -6.607 1.00 0.00 H new ATOM 610 N LEU A 35 -4.448 -3.379 0.842 1.00 0.00 N ATOM 611 CA LEU A 35 -3.660 -2.988 1.987 1.00 0.00 C ATOM 612 C LEU A 35 -4.381 -3.456 3.237 1.00 0.00 C ATOM 613 O LEU A 35 -5.483 -3.002 3.536 1.00 0.00 O ATOM 614 CB LEU A 35 -3.419 -1.476 2.026 1.00 0.00 C ATOM 615 CG LEU A 35 -2.657 -0.907 0.829 1.00 0.00 C ATOM 616 CD1 LEU A 35 -2.234 0.531 1.103 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.453 -1.781 0.502 1.00 0.00 C ATOM 0 H LEU A 35 -5.230 -2.760 0.627 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.676 -3.453 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.383 -0.972 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.868 -1.235 2.935 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.317 -0.904 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.693 0.922 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.118 1.142 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.588 0.559 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.921 -1.363 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.785 -1.817 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.790 -2.789 0.261 1.00 0.00 H new ATOM 629 N THR A 36 -3.774 -4.391 3.940 1.00 0.00 N ATOM 630 CA THR A 36 -4.377 -4.951 5.140 1.00 0.00 C ATOM 631 C THR A 36 -4.069 -4.080 6.345 1.00 0.00 C ATOM 632 O THR A 36 -3.494 -2.997 6.203 1.00 0.00 O ATOM 633 CB THR A 36 -3.870 -6.385 5.399 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.436 -6.398 5.492 1.00 0.00 O ATOM 635 CG2 THR A 36 -4.311 -7.320 4.283 1.00 0.00 C ATOM 0 H THR A 36 -2.862 -4.782 3.703 1.00 0.00 H new ATOM 0 HA THR A 36 -5.455 -4.984 4.984 1.00 0.00 H new ATOM 0 HB THR A 36 -4.297 -6.729 6.341 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.049 -6.309 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.943 -8.326 4.485 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.400 -7.335 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.907 -6.969 3.333 1.00 0.00 H new ATOM 643 N ILE A 37 -4.429 -4.556 7.529 1.00 0.00 N ATOM 644 CA ILE A 37 -4.160 -3.818 8.749 1.00 0.00 C ATOM 645 C ILE A 37 -2.651 -3.694 8.934 1.00 0.00 C ATOM 646 O ILE A 37 -2.154 -2.702 9.462 1.00 0.00 O ATOM 647 CB ILE A 37 -4.776 -4.506 9.989 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.263 -4.775 9.762 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.572 -3.649 11.234 1.00 0.00 C ATOM 650 CD1 ILE A 37 -6.922 -5.533 10.893 1.00 0.00 C ATOM 0 H ILE A 37 -4.906 -5.447 7.668 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.618 -2.833 8.656 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.270 -5.459 10.143 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.778 -3.825 9.624 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.384 -5.340 8.838 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.012 -4.150 12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.505 -3.503 11.404 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.052 -2.681 11.092 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.976 -5.687 10.662 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.433 -6.499 11.017 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.833 -4.960 11.816 1.00 0.00 H new ATOM 662 N SER A 38 -1.928 -4.708 8.469 1.00 0.00 N ATOM 663 CA SER A 38 -0.476 -4.723 8.556 1.00 0.00 C ATOM 664 C SER A 38 0.110 -3.613 7.683 1.00 0.00 C ATOM 665 O SER A 38 1.026 -2.897 8.099 1.00 0.00 O ATOM 666 CB SER A 38 0.053 -6.095 8.116 1.00 0.00 C ATOM 667 OG SER A 38 -0.780 -7.140 8.601 1.00 0.00 O ATOM 0 H SER A 38 -2.330 -5.534 8.026 1.00 0.00 H new ATOM 0 HA SER A 38 -0.172 -4.546 9.588 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.101 -6.139 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.069 -6.233 8.486 1.00 0.00 H new ATOM 0 HG SER A 38 -0.425 -8.005 8.307 1.00 0.00 H new ATOM 673 N GLU A 39 -0.449 -3.443 6.488 1.00 0.00 N ATOM 674 CA GLU A 39 -0.002 -2.388 5.592 1.00 0.00 C ATOM 675 C GLU A 39 -0.397 -1.029 6.173 1.00 0.00 C ATOM 676 O GLU A 39 0.397 -0.086 6.201 1.00 0.00 O ATOM 677 CB GLU A 39 -0.611 -2.542 4.195 1.00 0.00 C ATOM 678 CG GLU A 39 0.166 -3.454 3.253 1.00 0.00 C ATOM 679 CD GLU A 39 -0.125 -4.924 3.459 1.00 0.00 C ATOM 680 OE1 GLU A 39 -1.310 -5.314 3.398 1.00 0.00 O ATOM 681 OE2 GLU A 39 0.830 -5.703 3.649 1.00 0.00 O ATOM 0 H GLU A 39 -1.207 -4.019 6.122 1.00 0.00 H new ATOM 0 HA GLU A 39 1.082 -2.458 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.625 -2.929 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.691 -1.555 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.071 -3.186 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.233 -3.280 3.390 1.00 0.00 H new ATOM 688 N GLU A 40 -1.642 -0.965 6.635 1.00 0.00 N ATOM 689 CA GLU A 40 -2.218 0.232 7.228 1.00 0.00 C ATOM 690 C GLU A 40 -1.426 0.706 8.443 1.00 0.00 C ATOM 691 O GLU A 40 -1.085 1.884 8.549 1.00 0.00 O ATOM 692 CB GLU A 40 -3.659 -0.064 7.648 1.00 0.00 C ATOM 693 CG GLU A 40 -4.356 1.090 8.351 1.00 0.00 C ATOM 694 CD GLU A 40 -5.556 0.632 9.155 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.761 -0.594 9.282 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.282 1.490 9.692 1.00 0.00 O ATOM 0 H GLU A 40 -2.286 -1.755 6.606 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.188 1.026 6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.234 -0.336 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.662 -0.931 8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.648 1.591 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.676 1.824 7.611 1.00 0.00 H new ATOM 703 N GLU A 41 -1.169 -0.209 9.370 1.00 0.00 N ATOM 704 CA GLU A 41 -0.457 0.118 10.598 1.00 0.00 C ATOM 705 C GLU A 41 0.881 0.797 10.334 1.00 0.00 C ATOM 706 O GLU A 41 1.118 1.885 10.831 1.00 0.00 O ATOM 707 CB GLU A 41 -0.232 -1.131 11.452 1.00 0.00 C ATOM 708 CG GLU A 41 0.465 -0.833 12.772 1.00 0.00 C ATOM 709 CD GLU A 41 0.801 -2.079 13.556 1.00 0.00 C ATOM 710 OE1 GLU A 41 1.533 -2.939 13.023 1.00 0.00 O ATOM 711 OE2 GLU A 41 0.336 -2.208 14.711 1.00 0.00 O ATOM 0 H GLU A 41 -1.445 -1.188 9.293 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.091 0.821 11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.193 -1.604 11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.364 -1.848 10.887 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.381 -0.276 12.575 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.175 -0.191 13.377 1.00 0.00 H new ATOM 718 N LYS A 42 1.754 0.146 9.579 1.00 0.00 N ATOM 719 CA LYS A 42 3.084 0.692 9.300 1.00 0.00 C ATOM 720 C LYS A 42 3.049 2.077 8.648 1.00 0.00 C ATOM 721 O LYS A 42 3.712 3.003 9.124 1.00 0.00 O ATOM 722 CB LYS A 42 3.882 -0.295 8.446 1.00 0.00 C ATOM 723 CG LYS A 42 4.125 -1.632 9.144 1.00 0.00 C ATOM 724 CD LYS A 42 4.958 -2.572 8.295 1.00 0.00 C ATOM 725 CE LYS A 42 5.264 -3.863 9.044 1.00 0.00 C ATOM 726 NZ LYS A 42 6.019 -3.611 10.307 1.00 0.00 N ATOM 0 H LYS A 42 1.570 -0.760 9.147 1.00 0.00 H new ATOM 0 HA LYS A 42 3.580 0.829 10.261 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.349 -0.471 7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.842 0.152 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.630 -1.458 10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.168 -2.101 9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.426 -2.801 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.890 -2.082 8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.331 -4.378 9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.843 -4.526 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.453 -4.497 10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.762 -2.905 10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.368 -3.255 11.036 1.00 0.00 H new ATOM 740 N VAL A 43 2.279 2.231 7.578 1.00 0.00 N ATOM 741 CA VAL A 43 2.187 3.524 6.898 1.00 0.00 C ATOM 742 C VAL A 43 1.674 4.599 7.856 1.00 0.00 C ATOM 743 O VAL A 43 2.177 5.722 7.888 1.00 0.00 O ATOM 744 CB VAL A 43 1.246 3.450 5.678 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.163 4.793 4.973 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.694 2.371 4.706 1.00 0.00 C ATOM 0 H VAL A 43 1.715 1.489 7.164 1.00 0.00 H new ATOM 0 HA VAL A 43 3.189 3.783 6.557 1.00 0.00 H new ATOM 0 HB VAL A 43 0.252 3.190 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.493 4.714 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.780 5.544 5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.156 5.087 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.012 2.341 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.702 2.593 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.689 1.404 5.209 1.00 0.00 H new ATOM 756 N ARG A 44 0.659 4.241 8.632 1.00 0.00 N ATOM 757 CA ARG A 44 0.045 5.159 9.588 1.00 0.00 C ATOM 758 C ARG A 44 0.917 5.376 10.841 1.00 0.00 C ATOM 759 O ARG A 44 0.844 6.431 11.476 1.00 0.00 O ATOM 760 CB ARG A 44 -1.341 4.620 9.969 1.00 0.00 C ATOM 761 CG ARG A 44 -2.090 5.442 11.009 1.00 0.00 C ATOM 762 CD ARG A 44 -1.937 4.859 12.407 1.00 0.00 C ATOM 763 NE ARG A 44 -3.229 4.540 13.019 1.00 0.00 N ATOM 764 CZ ARG A 44 -3.951 3.461 12.734 1.00 0.00 C ATOM 765 NH1 ARG A 44 -3.467 2.525 11.939 1.00 0.00 N ATOM 766 NH2 ARG A 44 -5.158 3.323 13.256 1.00 0.00 N ATOM 0 H ARG A 44 0.239 3.312 8.618 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.052 6.136 9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.951 4.560 9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.228 3.603 10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.718 6.466 11.000 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.147 5.484 10.746 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.328 3.956 12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.404 5.569 13.038 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.600 5.191 13.711 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.534 2.627 11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.026 1.699 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.531 4.043 13.875 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.716 2.497 13.040 1.00 0.00 H new ATOM 780 N ASN A 45 1.722 4.378 11.203 1.00 0.00 N ATOM 781 CA ASN A 45 2.580 4.464 12.385 1.00 0.00 C ATOM 782 C ASN A 45 3.641 5.535 12.234 1.00 0.00 C ATOM 783 O ASN A 45 4.004 6.202 13.205 1.00 0.00 O ATOM 784 CB ASN A 45 3.265 3.124 12.655 1.00 0.00 C ATOM 785 CG ASN A 45 2.486 2.229 13.603 1.00 0.00 C ATOM 786 OD1 ASN A 45 2.910 1.109 13.896 1.00 0.00 O ATOM 787 ND2 ASN A 45 1.364 2.714 14.111 1.00 0.00 N ATOM 0 H ASN A 45 1.798 3.498 10.693 1.00 0.00 H new ATOM 0 HA ASN A 45 1.935 4.726 13.224 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.409 2.601 11.710 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.255 3.308 13.072 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.819 2.156 14.769 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.044 3.645 13.845 1.00 0.00 H new ATOM 794 N GLU A 46 4.154 5.683 11.021 1.00 0.00 N ATOM 795 CA GLU A 46 5.195 6.662 10.750 1.00 0.00 C ATOM 796 C GLU A 46 4.757 8.083 11.132 1.00 0.00 C ATOM 797 O GLU A 46 3.562 8.392 11.173 1.00 0.00 O ATOM 798 CB GLU A 46 5.622 6.572 9.291 1.00 0.00 C ATOM 799 CG GLU A 46 6.277 5.241 8.958 1.00 0.00 C ATOM 800 CD GLU A 46 7.277 4.811 10.022 1.00 0.00 C ATOM 801 OE1 GLU A 46 8.204 5.592 10.326 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.125 3.700 10.577 1.00 0.00 O ATOM 0 H GLU A 46 3.866 5.137 10.209 1.00 0.00 H new ATOM 0 HA GLU A 46 6.057 6.431 11.376 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.751 6.715 8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.317 7.381 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.508 4.475 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.783 5.318 7.996 1.00 0.00 H new ATOM 809 N PRO A 47 5.740 8.952 11.448 1.00 0.00 N ATOM 810 CA PRO A 47 5.498 10.340 11.879 1.00 0.00 C ATOM 811 C PRO A 47 4.607 11.157 10.942 1.00 0.00 C ATOM 812 O PRO A 47 3.452 11.446 11.261 1.00 0.00 O ATOM 813 CB PRO A 47 6.908 10.955 11.928 1.00 0.00 C ATOM 814 CG PRO A 47 7.794 9.989 11.218 1.00 0.00 C ATOM 815 CD PRO A 47 7.179 8.645 11.435 1.00 0.00 C ATOM 0 HA PRO A 47 4.958 10.349 12.826 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.926 11.932 11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.235 11.103 12.957 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.858 10.224 10.156 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.809 10.024 11.614 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.438 7.947 10.639 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.507 8.195 12.372 1.00 0.00 H new ATOM 823 N THR A 48 5.149 11.547 9.799 1.00 0.00 N ATOM 824 CA THR A 48 4.411 12.347 8.839 1.00 0.00 C ATOM 825 C THR A 48 4.620 11.792 7.447 1.00 0.00 C ATOM 826 O THR A 48 5.204 10.716 7.308 1.00 0.00 O ATOM 827 CB THR A 48 4.868 13.817 8.879 1.00 0.00 C ATOM 828 OG1 THR A 48 6.298 13.878 8.870 1.00 0.00 O ATOM 829 CG2 THR A 48 4.332 14.522 10.116 1.00 0.00 C ATOM 0 H THR A 48 6.102 11.320 9.514 1.00 0.00 H new ATOM 0 HA THR A 48 3.353 12.306 9.100 1.00 0.00 H new ATOM 0 HB THR A 48 4.473 14.323 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.586 14.815 8.894 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.670 15.558 10.119 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.242 14.495 10.106 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.699 14.018 11.010 1.00 0.00 H new ATOM 837 N GLN A 49 4.153 12.522 6.427 1.00 0.00 N ATOM 838 CA GLN A 49 4.285 12.106 5.027 1.00 0.00 C ATOM 839 C GLN A 49 5.687 11.596 4.702 1.00 0.00 C ATOM 840 O GLN A 49 5.851 10.773 3.805 1.00 0.00 O ATOM 841 CB GLN A 49 3.949 13.260 4.092 1.00 0.00 C ATOM 842 CG GLN A 49 4.067 12.877 2.629 1.00 0.00 C ATOM 843 CD GLN A 49 4.219 14.075 1.725 1.00 0.00 C ATOM 844 OE1 GLN A 49 3.307 14.888 1.577 1.00 0.00 O ATOM 845 NE2 GLN A 49 5.378 14.180 1.109 1.00 0.00 N ATOM 0 H GLN A 49 3.675 13.415 6.549 1.00 0.00 H new ATOM 0 HA GLN A 49 3.581 11.287 4.879 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.934 13.603 4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.615 14.097 4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.925 12.217 2.498 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.183 12.313 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.103 13.480 1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.550 14.961 0.476 1.00 0.00 H new ATOM 854 N GLN A 50 6.683 12.073 5.444 1.00 0.00 N ATOM 855 CA GLN A 50 8.062 11.655 5.260 1.00 0.00 C ATOM 856 C GLN A 50 8.153 10.137 5.156 1.00 0.00 C ATOM 857 O GLN A 50 8.318 9.586 4.067 1.00 0.00 O ATOM 858 CB GLN A 50 8.912 12.157 6.429 1.00 0.00 C ATOM 859 CG GLN A 50 10.321 11.580 6.472 1.00 0.00 C ATOM 860 CD GLN A 50 10.957 11.753 7.833 1.00 0.00 C ATOM 861 OE1 GLN A 50 11.323 12.859 8.223 1.00 0.00 O ATOM 862 NE2 GLN A 50 11.088 10.659 8.570 1.00 0.00 N ATOM 0 H GLN A 50 6.553 12.759 6.188 1.00 0.00 H new ATOM 0 HA GLN A 50 8.439 12.084 4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.978 13.244 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.404 11.915 7.363 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.288 10.520 6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.937 12.069 5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.771 9.760 8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.506 10.717 9.499 1.00 0.00 H new ATOM 871 N GLN A 51 8.020 9.467 6.286 1.00 0.00 N ATOM 872 CA GLN A 51 8.075 8.022 6.308 1.00 0.00 C ATOM 873 C GLN A 51 6.702 7.428 6.048 1.00 0.00 C ATOM 874 O GLN A 51 6.587 6.240 5.802 1.00 0.00 O ATOM 875 CB GLN A 51 8.612 7.517 7.643 1.00 0.00 C ATOM 876 CG GLN A 51 9.840 6.634 7.511 1.00 0.00 C ATOM 877 CD GLN A 51 11.131 7.424 7.428 1.00 0.00 C ATOM 878 OE1 GLN A 51 11.252 8.361 6.641 1.00 0.00 O ATOM 879 NE2 GLN A 51 12.100 7.051 8.239 1.00 0.00 N ATOM 0 H GLN A 51 7.874 9.902 7.197 1.00 0.00 H new ATOM 0 HA GLN A 51 8.753 7.704 5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.856 8.372 8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.827 6.959 8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.888 5.958 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.741 6.015 6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.958 6.268 8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.992 7.545 8.229 1.00 0.00 H new ATOM 888 N ARG A 52 5.663 8.260 6.099 1.00 0.00 N ATOM 889 CA ARG A 52 4.293 7.787 5.860 1.00 0.00 C ATOM 890 C ARG A 52 4.092 7.511 4.378 1.00 0.00 C ATOM 891 O ARG A 52 3.738 6.400 3.988 1.00 0.00 O ATOM 892 CB ARG A 52 3.270 8.805 6.371 1.00 0.00 C ATOM 893 CG ARG A 52 1.826 8.328 6.313 1.00 0.00 C ATOM 894 CD ARG A 52 1.025 8.826 7.504 1.00 0.00 C ATOM 895 NE ARG A 52 1.025 10.289 7.597 1.00 0.00 N ATOM 896 CZ ARG A 52 0.622 10.966 8.667 1.00 0.00 C ATOM 897 NH1 ARG A 52 0.160 10.334 9.729 1.00 0.00 N ATOM 898 NH2 ARG A 52 0.665 12.287 8.677 1.00 0.00 N ATOM 0 H ARG A 52 5.738 9.257 6.301 1.00 0.00 H new ATOM 0 HA ARG A 52 4.141 6.859 6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.514 9.061 7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.362 9.720 5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.363 8.678 5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.803 7.239 6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.002 8.468 7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.439 8.405 8.420 1.00 0.00 H new ATOM 0 HE ARG A 52 1.355 10.820 6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.109 9.315 9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.147 10.864 10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.009 12.792 7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.354 12.801 9.501 1.00 0.00 H new ATOM 912 N ALA A 53 4.365 8.510 3.550 1.00 0.00 N ATOM 913 CA ALA A 53 4.248 8.338 2.110 1.00 0.00 C ATOM 914 C ALA A 53 5.326 7.390 1.624 1.00 0.00 C ATOM 915 O ALA A 53 5.058 6.515 0.812 1.00 0.00 O ATOM 916 CB ALA A 53 4.340 9.667 1.380 1.00 0.00 C ATOM 0 H ALA A 53 4.666 9.438 3.847 1.00 0.00 H new ATOM 0 HA ALA A 53 3.267 7.915 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.249 9.500 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.536 10.322 1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.301 10.134 1.594 1.00 0.00 H new ATOM 922 N ALA A 54 6.541 7.542 2.146 1.00 0.00 N ATOM 923 CA ALA A 54 7.635 6.662 1.756 1.00 0.00 C ATOM 924 C ALA A 54 7.312 5.218 2.100 1.00 0.00 C ATOM 925 O ALA A 54 7.739 4.306 1.406 1.00 0.00 O ATOM 926 CB ALA A 54 8.931 7.077 2.418 1.00 0.00 C ATOM 0 H ALA A 54 6.789 8.256 2.831 1.00 0.00 H new ATOM 0 HA ALA A 54 7.759 6.746 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.730 6.403 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.181 8.096 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.817 7.032 3.501 1.00 0.00 H new ATOM 932 N MET A 55 6.535 5.008 3.158 1.00 0.00 N ATOM 933 CA MET A 55 6.147 3.668 3.546 1.00 0.00 C ATOM 934 C MET A 55 5.187 3.112 2.509 1.00 0.00 C ATOM 935 O MET A 55 5.258 1.944 2.151 1.00 0.00 O ATOM 936 CB MET A 55 5.502 3.686 4.936 1.00 0.00 C ATOM 937 CG MET A 55 5.066 2.316 5.437 1.00 0.00 C ATOM 938 SD MET A 55 6.443 1.205 5.791 1.00 0.00 S ATOM 939 CE MET A 55 7.186 2.038 7.193 1.00 0.00 C ATOM 0 H MET A 55 6.166 5.748 3.755 1.00 0.00 H new ATOM 0 HA MET A 55 7.028 3.028 3.595 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.209 4.113 5.647 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.635 4.346 4.914 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.470 2.442 6.341 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.420 1.854 4.691 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.821 1.339 7.737 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.788 2.876 6.841 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.402 2.407 7.855 1.00 0.00 H new ATOM 949 N LEU A 56 4.314 3.977 2.006 1.00 0.00 N ATOM 950 CA LEU A 56 3.353 3.594 0.978 1.00 0.00 C ATOM 951 C LEU A 56 4.091 3.215 -0.305 1.00 0.00 C ATOM 952 O LEU A 56 3.907 2.124 -0.846 1.00 0.00 O ATOM 953 CB LEU A 56 2.398 4.758 0.714 1.00 0.00 C ATOM 954 CG LEU A 56 1.054 4.376 0.097 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.180 3.695 1.130 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.350 5.602 -0.475 1.00 0.00 C ATOM 0 H LEU A 56 4.252 4.953 2.295 1.00 0.00 H new ATOM 0 HA LEU A 56 2.779 2.733 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.213 5.274 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.893 5.469 0.053 1.00 0.00 H new ATOM 0 HG LEU A 56 1.237 3.680 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.775 3.427 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.677 2.794 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.009 4.373 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.605 5.304 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.177 6.326 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.974 6.053 -1.247 1.00 0.00 H new ATOM 968 N ILE A 57 4.942 4.125 -0.769 1.00 0.00 N ATOM 969 CA ILE A 57 5.741 3.903 -1.985 1.00 0.00 C ATOM 970 C ILE A 57 6.659 2.689 -1.795 1.00 0.00 C ATOM 971 O ILE A 57 6.969 1.977 -2.750 1.00 0.00 O ATOM 972 CB ILE A 57 6.608 5.149 -2.331 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.884 6.439 -1.938 1.00 0.00 C ATOM 974 CG2 ILE A 57 6.951 5.205 -3.828 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.784 7.656 -1.922 1.00 0.00 C ATOM 0 H ILE A 57 5.101 5.029 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 57 5.049 3.723 -2.807 1.00 0.00 H new ATOM 0 HB ILE A 57 7.534 5.058 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.064 6.613 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.441 6.311 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.557 6.088 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.509 4.311 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.031 5.255 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.204 8.533 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.590 7.503 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.207 7.809 -2.915 1.00 0.00 H new ATOM 987 N LYS A 58 7.079 2.456 -0.551 1.00 0.00 N ATOM 988 CA LYS A 58 7.944 1.326 -0.229 1.00 0.00 C ATOM 989 C LYS A 58 7.165 0.009 -0.289 1.00 0.00 C ATOM 990 O LYS A 58 7.703 -1.010 -0.721 1.00 0.00 O ATOM 991 CB LYS A 58 8.611 1.513 1.146 1.00 0.00 C ATOM 992 CG LYS A 58 9.553 0.377 1.526 1.00 0.00 C ATOM 993 CD LYS A 58 10.405 0.722 2.740 1.00 0.00 C ATOM 994 CE LYS A 58 9.566 0.894 3.996 1.00 0.00 C ATOM 995 NZ LYS A 58 10.415 1.159 5.187 1.00 0.00 N ATOM 0 H LYS A 58 6.832 3.037 0.250 1.00 0.00 H new ATOM 0 HA LYS A 58 8.735 1.284 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.167 2.451 1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.836 1.602 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.972 -0.521 1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.202 0.147 0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.141 -0.065 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.958 1.641 2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.866 1.718 3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.972 -0.005 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.811 1.271 6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.066 0.362 5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.963 2.030 5.036 1.00 0.00 H new ATOM 1009 N MET A 59 5.890 0.032 0.120 1.00 0.00 N ATOM 1010 CA MET A 59 5.067 -1.181 0.072 1.00 0.00 C ATOM 1011 C MET A 59 4.981 -1.702 -1.352 1.00 0.00 C ATOM 1012 O MET A 59 5.231 -2.876 -1.613 1.00 0.00 O ATOM 1013 CB MET A 59 3.640 -0.928 0.537 1.00 0.00 C ATOM 1014 CG MET A 59 3.483 -0.393 1.943 1.00 0.00 C ATOM 1015 SD MET A 59 1.742 -0.171 2.359 1.00 0.00 S ATOM 1016 CE MET A 59 1.110 0.454 0.790 1.00 0.00 C ATOM 0 H MET A 59 5.414 0.859 0.481 1.00 0.00 H new ATOM 0 HA MET A 59 5.546 -1.901 0.735 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.175 -0.223 -0.152 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.084 -1.862 0.461 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.945 -1.081 2.651 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.007 0.559 2.035 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.211 1.044 0.969 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.866 1.080 0.316 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.870 -0.383 0.135 1.00 0.00 H new ATOM 1026 N ILE A 60 4.607 -0.807 -2.264 1.00 0.00 N ATOM 1027 CA ILE A 60 4.464 -1.155 -3.670 1.00 0.00 C ATOM 1028 C ILE A 60 5.796 -1.645 -4.244 1.00 0.00 C ATOM 1029 O ILE A 60 5.824 -2.566 -5.056 1.00 0.00 O ATOM 1030 CB ILE A 60 3.901 0.027 -4.516 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.396 0.213 -4.265 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.147 -0.224 -6.002 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.050 0.755 -2.891 1.00 0.00 C ATOM 0 H ILE A 60 4.397 0.168 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 60 3.737 -1.966 -3.728 1.00 0.00 H new ATOM 0 HB ILE A 60 4.419 0.937 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.995 0.889 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.897 -0.747 -4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.749 0.609 -6.582 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.218 -0.314 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.650 -1.146 -6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.968 0.854 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.416 0.070 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.516 1.731 -2.757 1.00 0.00 H new ATOM 1045 N LEU A 61 6.893 -1.037 -3.801 1.00 0.00 N ATOM 1046 CA LEU A 61 8.225 -1.414 -4.256 1.00 0.00 C ATOM 1047 C LEU A 61 8.487 -2.903 -3.989 1.00 0.00 C ATOM 1048 O LEU A 61 9.127 -3.590 -4.791 1.00 0.00 O ATOM 1049 CB LEU A 61 9.278 -0.534 -3.555 1.00 0.00 C ATOM 1050 CG LEU A 61 10.723 -0.650 -4.065 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.488 0.627 -3.747 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.432 -1.851 -3.442 1.00 0.00 C ATOM 0 H LEU A 61 6.883 -0.276 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 61 8.294 -1.254 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.967 0.507 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.271 -0.777 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 61 10.693 -0.796 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.512 0.538 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.002 1.473 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.499 0.786 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.452 -1.908 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.453 -1.739 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.897 -2.764 -3.702 1.00 0.00 H new ATOM 1064 N LYS A 62 7.991 -3.394 -2.858 1.00 0.00 N ATOM 1065 CA LYS A 62 8.182 -4.789 -2.487 1.00 0.00 C ATOM 1066 C LYS A 62 6.844 -5.547 -2.455 1.00 0.00 C ATOM 1067 O LYS A 62 6.604 -6.392 -1.588 1.00 0.00 O ATOM 1068 CB LYS A 62 8.900 -4.866 -1.129 1.00 0.00 C ATOM 1069 CG LYS A 62 9.425 -6.251 -0.778 1.00 0.00 C ATOM 1070 CD LYS A 62 10.318 -6.801 -1.881 1.00 0.00 C ATOM 1071 CE LYS A 62 10.802 -8.206 -1.557 1.00 0.00 C ATOM 1072 NZ LYS A 62 11.553 -8.803 -2.692 1.00 0.00 N ATOM 0 H LYS A 62 7.455 -2.847 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 62 8.803 -5.272 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.734 -4.164 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.212 -4.542 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.985 -6.204 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.587 -6.929 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.770 -6.812 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.175 -6.142 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.440 -8.177 -0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.948 -8.838 -1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.867 -9.760 -2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.936 -8.854 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.382 -8.213 -2.909 1.00 0.00 H new ATOM 1086 N LYS A 63 5.968 -5.262 -3.407 1.00 0.00 N ATOM 1087 CA LYS A 63 4.692 -5.936 -3.465 1.00 0.00 C ATOM 1088 C LYS A 63 4.580 -6.671 -4.803 1.00 0.00 C ATOM 1089 O LYS A 63 5.437 -7.495 -5.120 1.00 0.00 O ATOM 1090 CB LYS A 63 3.563 -4.931 -3.275 1.00 0.00 C ATOM 1091 CG LYS A 63 2.309 -5.523 -2.657 1.00 0.00 C ATOM 1092 CD LYS A 63 2.524 -6.009 -1.229 1.00 0.00 C ATOM 1093 CE LYS A 63 1.210 -6.478 -0.617 1.00 0.00 C ATOM 1094 NZ LYS A 63 1.382 -7.034 0.751 1.00 0.00 N ATOM 0 H LYS A 63 6.121 -4.572 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 63 4.614 -6.668 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.918 -4.116 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.309 -4.497 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.518 -4.774 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.966 -6.356 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.246 -6.825 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.946 -5.205 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.512 -5.642 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.764 -7.237 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.762 -7.861 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.372 -7.321 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.132 -6.310 1.454 1.00 0.00 H new ATOM 1108 N ASP A 64 3.562 -6.372 -5.596 1.00 0.00 N ATOM 1109 CA ASP A 64 3.402 -7.017 -6.899 1.00 0.00 C ATOM 1110 C ASP A 64 2.473 -6.215 -7.792 1.00 0.00 C ATOM 1111 O ASP A 64 1.921 -5.204 -7.363 1.00 0.00 O ATOM 1112 CB ASP A 64 2.888 -8.444 -6.744 1.00 0.00 C ATOM 1113 CG ASP A 64 1.405 -8.503 -6.492 1.00 0.00 C ATOM 1114 OD1 ASP A 64 0.931 -7.877 -5.521 1.00 0.00 O ATOM 1115 OD2 ASP A 64 0.708 -9.176 -7.273 1.00 0.00 O ATOM 0 H ASP A 64 2.837 -5.692 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 64 4.384 -7.056 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.122 -9.010 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.412 -8.927 -5.919 1.00 0.00 H new ATOM 1120 N ASN A 65 2.326 -6.665 -9.038 1.00 0.00 N ATOM 1121 CA ASN A 65 1.487 -5.981 -10.020 1.00 0.00 C ATOM 1122 C ASN A 65 0.042 -5.927 -9.591 1.00 0.00 C ATOM 1123 O ASN A 65 -0.654 -4.982 -9.934 1.00 0.00 O ATOM 1124 CB ASN A 65 1.586 -6.619 -11.409 1.00 0.00 C ATOM 1125 CG ASN A 65 1.824 -8.108 -11.368 1.00 0.00 C ATOM 1126 OD1 ASN A 65 1.197 -8.838 -10.604 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.703 -8.568 -12.230 1.00 0.00 N ATOM 0 H ASN A 65 2.781 -7.506 -9.392 1.00 0.00 H new ATOM 0 HA ASN A 65 1.870 -4.962 -10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.666 -6.421 -11.958 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.396 -6.144 -11.962 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.888 -9.570 -12.284 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.200 -7.923 -12.845 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.418 -6.917 -8.847 1.00 0.00 N ATOM 1135 CA ASP A 66 -1.801 -6.901 -8.411 1.00 0.00 C ATOM 1136 C ASP A 66 -2.038 -5.685 -7.518 1.00 0.00 C ATOM 1137 O ASP A 66 -2.996 -4.936 -7.717 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.189 -8.187 -7.678 1.00 0.00 C ATOM 1139 CG ASP A 66 -3.691 -8.402 -7.648 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.420 -7.625 -8.297 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.143 -9.365 -6.995 1.00 0.00 O ATOM 0 H ASP A 66 0.129 -7.721 -8.539 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.433 -6.837 -9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.712 -9.038 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.809 -8.149 -6.657 1.00 0.00 H new ATOM 1146 N SER A 67 -1.135 -5.459 -6.565 1.00 0.00 N ATOM 1147 CA SER A 67 -1.260 -4.301 -5.690 1.00 0.00 C ATOM 1148 C SER A 67 -0.843 -3.047 -6.431 1.00 0.00 C ATOM 1149 O SER A 67 -1.288 -1.951 -6.125 1.00 0.00 O ATOM 1150 CB SER A 67 -0.389 -4.441 -4.458 1.00 0.00 C ATOM 1151 OG SER A 67 -0.185 -5.804 -4.125 1.00 0.00 O ATOM 0 H SER A 67 -0.325 -6.051 -6.383 1.00 0.00 H new ATOM 0 HA SER A 67 -2.303 -4.235 -5.382 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.573 -3.959 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.856 -3.925 -3.619 1.00 0.00 H new ATOM 0 HG SER A 67 0.385 -6.224 -4.802 1.00 0.00 H new ATOM 1157 N TYR A 68 0.020 -3.228 -7.407 1.00 0.00 N ATOM 1158 CA TYR A 68 0.511 -2.127 -8.210 1.00 0.00 C ATOM 1159 C TYR A 68 -0.620 -1.545 -9.039 1.00 0.00 C ATOM 1160 O TYR A 68 -0.780 -0.333 -9.107 1.00 0.00 O ATOM 1161 CB TYR A 68 1.657 -2.613 -9.086 1.00 0.00 C ATOM 1162 CG TYR A 68 2.155 -1.599 -10.080 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.585 -0.337 -9.684 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.207 -1.916 -11.422 1.00 0.00 C ATOM 1165 CE1 TYR A 68 3.046 0.575 -10.607 1.00 0.00 C ATOM 1166 CE2 TYR A 68 2.670 -1.015 -12.344 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.090 0.230 -11.936 1.00 0.00 C ATOM 1168 OH TYR A 68 3.570 1.126 -12.861 1.00 0.00 O ATOM 0 H TYR A 68 0.400 -4.138 -7.666 1.00 0.00 H new ATOM 0 HA TYR A 68 0.888 -1.334 -7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.486 -2.912 -8.445 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.333 -3.503 -9.625 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.557 -0.069 -8.638 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.877 -2.890 -11.751 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.371 1.555 -10.288 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.705 -1.282 -13.390 1.00 0.00 H new ATOM 0 HH TYR A 68 4.347 1.594 -12.491 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.432 -2.412 -9.629 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.573 -1.954 -10.399 1.00 0.00 C ATOM 1180 C VAL A 69 -3.596 -1.353 -9.434 1.00 0.00 C ATOM 1181 O VAL A 69 -4.317 -0.425 -9.782 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.222 -3.086 -11.235 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.400 -2.565 -12.037 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.199 -3.719 -12.172 1.00 0.00 C ATOM 0 H VAL A 69 -1.321 -3.425 -9.588 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.228 -1.205 -11.112 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.583 -3.844 -10.540 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.836 -3.380 -12.614 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.150 -2.158 -11.359 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.061 -1.782 -12.715 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.676 -4.511 -12.749 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.808 -2.960 -12.850 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.381 -4.139 -11.587 1.00 0.00 H new ATOM 1194 N SER A 70 -3.615 -1.860 -8.199 1.00 0.00 N ATOM 1195 CA SER A 70 -4.507 -1.340 -7.174 1.00 0.00 C ATOM 1196 C SER A 70 -4.048 0.064 -6.765 1.00 0.00 C ATOM 1197 O SER A 70 -4.832 1.004 -6.782 1.00 0.00 O ATOM 1198 CB SER A 70 -4.521 -2.262 -5.957 1.00 0.00 C ATOM 1199 OG SER A 70 -5.446 -1.813 -4.990 1.00 0.00 O ATOM 0 H SER A 70 -3.021 -2.630 -7.890 1.00 0.00 H new ATOM 0 HA SER A 70 -5.519 -1.289 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.777 -3.275 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.524 -2.306 -5.518 1.00 0.00 H new ATOM 0 HG SER A 70 -5.758 -2.574 -4.458 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.759 0.207 -6.431 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.215 1.520 -6.071 1.00 0.00 C ATOM 1207 C PHE A 71 -2.422 2.483 -7.253 1.00 0.00 C ATOM 1208 O PHE A 71 -2.764 3.653 -7.072 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.734 1.403 -5.680 1.00 0.00 C ATOM 1210 CG PHE A 71 0.005 2.711 -5.624 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.360 3.689 -4.717 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.077 2.952 -6.470 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.328 4.883 -4.649 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.769 4.146 -6.404 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.393 5.114 -5.497 1.00 0.00 C ATOM 0 H PHE A 71 -2.084 -0.557 -6.403 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.740 1.916 -5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.667 0.921 -4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.234 0.749 -6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.194 3.516 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.373 2.200 -7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.034 5.636 -3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.606 4.321 -7.064 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.930 6.050 -5.450 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.266 1.938 -8.465 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.487 2.675 -9.719 1.00 0.00 C ATOM 1227 C TYR A 72 -3.929 3.184 -9.750 1.00 0.00 C ATOM 1228 O TYR A 72 -4.205 4.351 -10.029 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.231 1.726 -10.904 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.845 2.154 -12.224 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.345 3.227 -12.945 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -3.929 1.467 -12.742 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.913 3.607 -14.147 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.505 1.838 -13.940 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.994 2.908 -14.643 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.554 3.285 -15.845 1.00 0.00 O ATOM 0 H TYR A 72 -1.982 0.969 -8.606 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.808 3.525 -9.787 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.154 1.624 -11.040 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.615 0.739 -10.647 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.497 3.776 -12.561 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.332 0.625 -12.199 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.512 4.447 -14.695 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.353 1.292 -14.325 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.306 2.692 -16.056 1.00 0.00 H new ATOM 1246 N ASN A 73 -4.827 2.263 -9.438 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.269 2.507 -9.379 1.00 0.00 C ATOM 1248 C ASN A 73 -6.599 3.620 -8.383 1.00 0.00 C ATOM 1249 O ASN A 73 -7.443 4.476 -8.645 1.00 0.00 O ATOM 1250 CB ASN A 73 -6.958 1.201 -8.953 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.473 1.228 -9.022 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.133 2.112 -8.479 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.037 0.218 -9.658 1.00 0.00 N ATOM 0 H ASN A 73 -4.573 1.301 -9.213 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.623 2.826 -10.359 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.594 0.392 -9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.659 0.966 -7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.054 0.152 -9.711 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.456 -0.497 -10.097 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.922 3.602 -7.241 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.131 4.605 -6.202 1.00 0.00 C ATOM 1262 C ALA A 74 -5.753 6.001 -6.696 1.00 0.00 C ATOM 1263 O ALA A 74 -6.393 6.996 -6.342 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.340 4.239 -4.962 1.00 0.00 C ATOM 0 H ALA A 74 -5.219 2.900 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.191 4.623 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.502 4.993 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.670 3.267 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.279 4.193 -5.208 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.728 6.063 -7.535 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.274 7.323 -8.111 1.00 0.00 C ATOM 1272 C LEU A 75 -5.354 7.882 -9.027 1.00 0.00 C ATOM 1273 O LEU A 75 -5.481 9.097 -9.198 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.982 7.110 -8.907 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.800 6.532 -8.116 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.697 6.059 -9.044 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.254 7.565 -7.150 1.00 0.00 C ATOM 0 H LEU A 75 -4.191 5.249 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.077 8.029 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.197 6.443 -9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.678 8.066 -9.333 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.165 5.673 -7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.126 5.655 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.085 5.284 -9.705 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.339 6.898 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.417 7.139 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.915 8.439 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.037 7.860 -6.452 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.150 6.982 -9.600 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.232 7.384 -10.480 1.00 0.00 C ATOM 1291 C LEU A 76 -8.471 7.764 -9.681 1.00 0.00 C ATOM 1292 O LEU A 76 -9.369 8.420 -10.207 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.572 6.276 -11.485 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.794 6.328 -12.802 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.313 6.064 -12.573 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.363 5.333 -13.800 1.00 0.00 C ATOM 0 H LEU A 76 -6.063 5.974 -9.468 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.894 8.259 -11.035 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.390 5.311 -11.012 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.638 6.326 -11.709 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.899 7.331 -13.214 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.784 6.107 -13.525 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.909 6.819 -11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.184 5.076 -12.130 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.796 5.386 -14.730 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.294 4.326 -13.389 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.408 5.573 -13.998 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.521 7.384 -8.406 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.673 7.748 -7.594 1.00 0.00 C ATOM 1310 C HIS A 77 -9.531 9.194 -7.185 1.00 0.00 C ATOM 1311 O HIS A 77 -10.513 9.918 -7.030 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.844 6.892 -6.335 1.00 0.00 C ATOM 1313 CG HIS A 77 -11.281 6.812 -5.933 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -12.057 7.925 -5.672 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -12.105 5.748 -5.796 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -13.288 7.546 -5.402 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -13.343 6.234 -5.469 1.00 0.00 N ATOM 0 H HIS A 77 -7.801 6.842 -7.928 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.559 7.577 -8.206 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.457 5.889 -6.517 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.258 7.316 -5.520 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -11.727 8.890 -5.686 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -11.837 4.709 -5.921 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -14.113 8.201 -5.165 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.291 9.605 -7.022 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.992 10.965 -6.642 1.00 0.00 C ATOM 1328 C GLU A 78 -7.468 11.728 -7.855 1.00 0.00 C ATOM 1329 O GLU A 78 -7.780 11.372 -8.996 1.00 0.00 O ATOM 1330 CB GLU A 78 -7.013 10.976 -5.456 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.510 10.141 -4.289 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.909 10.527 -3.842 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.292 11.706 -4.009 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.625 9.657 -3.306 1.00 0.00 O ATOM 0 H GLU A 78 -7.471 9.011 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.896 11.474 -6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.045 10.598 -5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.859 12.003 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.502 9.088 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.822 10.251 -3.451 1.00 0.00 H new ATOM 1341 N GLY A 79 -6.707 12.775 -7.632 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.205 13.564 -8.741 1.00 0.00 C ATOM 1343 C GLY A 79 -4.763 13.263 -9.093 1.00 0.00 C ATOM 1344 O GLY A 79 -3.969 14.183 -9.282 1.00 0.00 O ATOM 0 H GLY A 79 -6.423 13.099 -6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.829 13.384 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.297 14.622 -8.495 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.407 11.985 -9.186 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.038 11.612 -9.525 1.00 0.00 C ATOM 1350 C TYR A 80 -3.026 10.599 -10.662 1.00 0.00 C ATOM 1351 O TYR A 80 -2.220 9.659 -10.697 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.317 11.093 -8.281 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.346 12.111 -7.164 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -1.479 13.194 -7.171 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -3.281 12.024 -6.136 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -1.525 14.149 -6.179 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -3.334 12.983 -5.140 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.456 14.043 -5.169 1.00 0.00 C ATOM 1359 OH TYR A 80 -2.498 15.003 -4.185 1.00 0.00 O ATOM 0 H TYR A 80 -5.039 11.199 -9.033 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.499 12.492 -9.877 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.786 10.168 -7.945 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.283 10.853 -8.531 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.756 13.290 -7.967 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.975 11.196 -6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.833 14.978 -6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.060 12.900 -4.345 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.419 15.320 -4.077 1.00 0.00 H new ATOM 1369 N LYS A 81 -3.922 10.834 -11.613 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.059 9.989 -12.788 1.00 0.00 C ATOM 1371 C LYS A 81 -2.905 10.225 -13.768 1.00 0.00 C ATOM 1372 O LYS A 81 -2.723 9.460 -14.709 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.412 10.253 -13.475 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.611 11.701 -13.912 1.00 0.00 C ATOM 1375 CD LYS A 81 -7.086 12.032 -14.126 1.00 0.00 C ATOM 1376 CE LYS A 81 -7.707 11.220 -15.260 1.00 0.00 C ATOM 1377 NZ LYS A 81 -9.108 11.656 -15.532 1.00 0.00 N ATOM 0 H LYS A 81 -4.574 11.618 -11.589 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.023 8.947 -12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.498 9.605 -14.348 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.215 9.976 -12.792 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.195 12.369 -13.158 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.061 11.881 -14.836 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.635 11.842 -13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.189 13.095 -14.345 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.107 11.333 -16.163 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.697 10.161 -15.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.504 11.087 -16.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.685 11.525 -14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.113 12.660 -15.802 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.126 11.283 -13.526 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.978 11.616 -14.374 1.00 0.00 C ATOM 1393 C ASP A 82 0.191 10.708 -14.031 1.00 0.00 C ATOM 1394 O ASP A 82 0.790 10.100 -14.917 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.589 13.087 -14.185 1.00 0.00 C ATOM 1396 CG ASP A 82 0.393 13.578 -15.233 1.00 0.00 C ATOM 1397 OD1 ASP A 82 1.543 13.091 -15.260 1.00 0.00 O ATOM 1398 OD2 ASP A 82 0.010 14.450 -16.032 1.00 0.00 O ATOM 0 H ASP A 82 -2.270 11.926 -12.747 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.248 11.464 -15.419 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.488 13.703 -14.220 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.152 13.218 -13.195 1.00 0.00 H new ATOM 1403 N LEU A 83 0.485 10.595 -12.741 1.00 0.00 N ATOM 1404 CA LEU A 83 1.562 9.725 -12.282 1.00 0.00 C ATOM 1405 C LEU A 83 1.239 8.304 -12.717 1.00 0.00 C ATOM 1406 O LEU A 83 2.084 7.600 -13.262 1.00 0.00 O ATOM 1407 CB LEU A 83 1.688 9.794 -10.749 1.00 0.00 C ATOM 1408 CG LEU A 83 3.100 9.661 -10.160 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.778 8.368 -10.581 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.956 10.853 -10.546 1.00 0.00 C ATOM 0 H LEU A 83 -0.005 11.092 -11.997 1.00 0.00 H new ATOM 0 HA LEU A 83 2.511 10.045 -12.713 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.270 10.745 -10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.067 9.006 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 83 2.992 9.636 -9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.774 8.319 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.187 7.519 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.860 8.337 -11.667 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.952 10.739 -10.119 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.031 10.910 -11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.500 11.767 -10.165 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.009 7.918 -12.493 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.497 6.603 -12.872 1.00 0.00 C ATOM 1424 C ALA A 84 -0.466 6.419 -14.390 1.00 0.00 C ATOM 1425 O ALA A 84 -0.246 5.315 -14.868 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.905 6.407 -12.338 1.00 0.00 C ATOM 0 H ALA A 84 -0.710 8.508 -12.044 1.00 0.00 H new ATOM 0 HA ALA A 84 0.159 5.850 -12.435 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.268 5.420 -12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.897 6.490 -11.251 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.562 7.170 -12.755 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.652 7.501 -15.146 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.600 7.415 -16.605 1.00 0.00 C ATOM 1434 C ALA A 85 0.823 7.108 -17.034 1.00 0.00 C ATOM 1435 O ALA A 85 1.051 6.360 -17.983 1.00 0.00 O ATOM 1436 CB ALA A 85 -1.091 8.701 -17.249 1.00 0.00 C ATOM 0 H ALA A 85 -0.837 8.434 -14.779 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.260 6.614 -16.937 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.041 8.607 -18.334 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.122 8.888 -16.948 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.463 9.532 -16.927 1.00 0.00 H new ATOM 1442 N LEU A 86 1.780 7.648 -16.285 1.00 0.00 N ATOM 1443 CA LEU A 86 3.193 7.390 -16.548 1.00 0.00 C ATOM 1444 C LEU A 86 3.508 5.911 -16.310 1.00 0.00 C ATOM 1445 O LEU A 86 4.570 5.411 -16.693 1.00 0.00 O ATOM 1446 CB LEU A 86 4.063 8.242 -15.619 1.00 0.00 C ATOM 1447 CG LEU A 86 4.028 9.748 -15.878 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.644 10.503 -14.711 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.761 10.067 -17.164 1.00 0.00 C ATOM 0 H LEU A 86 1.604 8.266 -15.493 1.00 0.00 H new ATOM 0 HA LEU A 86 3.406 7.647 -17.586 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.750 8.061 -14.591 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.095 7.901 -15.703 1.00 0.00 H new ATOM 0 HG LEU A 86 2.990 10.064 -15.978 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.611 11.574 -14.912 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.083 10.287 -13.801 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.680 10.190 -14.581 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.732 11.142 -17.342 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.798 9.740 -17.082 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.282 9.548 -17.994 1.00 0.00 H new ATOM 1461 N LEU A 87 2.578 5.231 -15.645 1.00 0.00 N ATOM 1462 CA LEU A 87 2.723 3.827 -15.298 1.00 0.00 C ATOM 1463 C LEU A 87 1.739 2.951 -16.066 1.00 0.00 C ATOM 1464 O LEU A 87 1.847 1.729 -16.041 1.00 0.00 O ATOM 1465 CB LEU A 87 2.456 3.648 -13.809 1.00 0.00 C ATOM 1466 CG LEU A 87 2.893 4.798 -12.899 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.654 4.441 -11.443 1.00 0.00 C ATOM 1468 CD2 LEU A 87 4.353 5.139 -13.126 1.00 0.00 C ATOM 0 H LEU A 87 1.699 5.644 -15.332 1.00 0.00 H new ATOM 0 HA LEU A 87 3.738 3.525 -15.557 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.387 3.489 -13.670 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.959 2.740 -13.478 1.00 0.00 H new ATOM 0 HG LEU A 87 2.295 5.675 -13.146 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.970 5.269 -10.809 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.593 4.247 -11.285 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.227 3.550 -11.188 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.642 5.959 -12.469 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.969 4.266 -12.909 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.500 5.437 -14.164 1.00 0.00 H new ATOM 1480 N HIS A 88 0.767 3.583 -16.707 1.00 0.00 N ATOM 1481 CA HIS A 88 -0.277 2.878 -17.455 1.00 0.00 C ATOM 1482 C HIS A 88 0.316 1.911 -18.472 1.00 0.00 C ATOM 1483 O HIS A 88 -0.260 0.859 -18.746 1.00 0.00 O ATOM 1484 CB HIS A 88 -1.187 3.885 -18.166 1.00 0.00 C ATOM 1485 CG HIS A 88 -2.490 3.302 -18.628 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -3.382 3.983 -19.417 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -3.061 2.095 -18.383 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -4.435 3.224 -19.644 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -4.266 2.076 -19.028 1.00 0.00 N ATOM 0 H HIS A 88 0.675 4.599 -16.727 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.861 2.298 -16.740 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.391 4.716 -17.491 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.658 4.295 -19.026 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.641 1.297 -17.788 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.294 3.500 -20.238 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.926 1.298 -19.031 1.00 0.00 H new ATOM 1498 N ASP A 89 1.466 2.267 -19.016 1.00 0.00 N ATOM 1499 CA ASP A 89 2.135 1.414 -19.994 1.00 0.00 C ATOM 1500 C ASP A 89 2.625 0.141 -19.311 1.00 0.00 C ATOM 1501 O ASP A 89 2.618 -0.943 -19.899 1.00 0.00 O ATOM 1502 CB ASP A 89 3.303 2.163 -20.647 1.00 0.00 C ATOM 1503 CG ASP A 89 3.785 1.513 -21.927 1.00 0.00 C ATOM 1504 OD1 ASP A 89 4.306 0.383 -21.875 1.00 0.00 O ATOM 1505 OD2 ASP A 89 3.650 2.139 -23.000 1.00 0.00 O ATOM 0 H ASP A 89 1.957 3.135 -18.802 1.00 0.00 H new ATOM 0 HA ASP A 89 1.427 1.144 -20.778 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.996 3.187 -20.860 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.131 2.219 -19.941 1.00 0.00 H new ATOM 1510 N GLY A 90 3.028 0.284 -18.056 1.00 0.00 N ATOM 1511 CA GLY A 90 3.497 -0.848 -17.282 1.00 0.00 C ATOM 1512 C GLY A 90 2.362 -1.734 -16.797 1.00 0.00 C ATOM 1513 O GLY A 90 2.524 -2.947 -16.709 1.00 0.00 O ATOM 0 H GLY A 90 3.038 1.173 -17.556 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.181 -1.440 -17.889 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.064 -0.487 -16.424 1.00 0.00 H new ATOM 1517 N ILE A 91 1.212 -1.136 -16.485 1.00 0.00 N ATOM 1518 CA ILE A 91 0.063 -1.914 -16.021 1.00 0.00 C ATOM 1519 C ILE A 91 -0.513 -2.750 -17.171 1.00 0.00 C ATOM 1520 O ILE A 91 -0.932 -2.207 -18.194 1.00 0.00 O ATOM 1521 CB ILE A 91 -1.054 -1.022 -15.402 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.726 -0.632 -13.953 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.402 -1.729 -15.431 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.295 0.473 -13.811 1.00 0.00 C ATOM 0 H ILE A 91 1.052 -0.130 -16.544 1.00 0.00 H new ATOM 0 HA ILE A 91 0.425 -2.573 -15.232 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.106 -0.119 -16.010 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.646 -0.323 -13.457 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.361 -1.515 -13.427 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.162 -1.082 -14.992 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.671 -1.957 -16.462 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.340 -2.655 -14.859 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.462 0.680 -12.754 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.232 0.164 -14.273 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.072 1.373 -14.303 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.509 -4.088 -17.025 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.005 -5.010 -18.058 1.00 0.00 C ATOM 1538 C PRO A 92 -2.516 -4.914 -18.250 1.00 0.00 C ATOM 1539 O PRO A 92 -2.999 -4.748 -19.374 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.624 -6.399 -17.533 1.00 0.00 C ATOM 1541 CG PRO A 92 0.343 -6.160 -16.424 1.00 0.00 C ATOM 1542 CD PRO A 92 0.010 -4.813 -15.856 1.00 0.00 C ATOM 0 HA PRO A 92 -0.576 -4.780 -19.033 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.502 -6.938 -17.177 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.175 -7.005 -18.320 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.259 -6.935 -15.662 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.369 -6.184 -16.791 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.732 -4.881 -15.060 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.887 -4.324 -15.433 1.00 0.00 H new ATOM 1550 N VAL A 93 -3.257 -5.019 -17.155 1.00 0.00 N ATOM 1551 CA VAL A 93 -4.711 -4.942 -17.197 1.00 0.00 C ATOM 1552 C VAL A 93 -5.245 -4.463 -15.854 1.00 0.00 C ATOM 1553 O VAL A 93 -4.706 -4.813 -14.804 1.00 0.00 O ATOM 1554 CB VAL A 93 -5.340 -6.311 -17.565 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -5.040 -7.369 -16.512 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -6.839 -6.185 -17.782 1.00 0.00 C ATOM 0 H VAL A 93 -2.872 -5.159 -16.221 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.989 -4.228 -17.972 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.883 -6.633 -18.501 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.497 -8.314 -16.805 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.961 -7.500 -16.424 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.446 -7.052 -15.552 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.253 -7.160 -18.039 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.309 -5.820 -16.869 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.031 -5.484 -18.594 1.00 0.00 H new ATOM 1566 N VAL A 94 -6.295 -3.653 -15.890 1.00 0.00 N ATOM 1567 CA VAL A 94 -6.891 -3.127 -14.672 1.00 0.00 C ATOM 1568 C VAL A 94 -8.049 -4.019 -14.217 1.00 0.00 C ATOM 1569 O VAL A 94 -9.216 -3.622 -14.245 1.00 0.00 O ATOM 1570 CB VAL A 94 -7.378 -1.672 -14.858 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -7.712 -1.042 -13.510 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -6.331 -0.844 -15.594 1.00 0.00 C ATOM 0 H VAL A 94 -6.750 -3.347 -16.750 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.120 -3.124 -13.902 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.285 -1.689 -15.462 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.053 -0.018 -13.662 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.499 -1.618 -13.024 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.823 -1.039 -12.880 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.693 0.177 -15.715 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.405 -0.835 -15.019 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.145 -1.281 -16.575 1.00 0.00 H new ATOM 1582 N SER A 95 -7.718 -5.232 -13.798 1.00 0.00 N ATOM 1583 CA SER A 95 -8.726 -6.182 -13.336 1.00 0.00 C ATOM 1584 C SER A 95 -8.843 -6.154 -11.815 1.00 0.00 C ATOM 1585 O SER A 95 -9.735 -6.775 -11.234 1.00 0.00 O ATOM 1586 CB SER A 95 -8.385 -7.590 -13.813 1.00 0.00 C ATOM 1587 OG SER A 95 -8.350 -7.649 -15.226 1.00 0.00 O ATOM 0 H SER A 95 -6.761 -5.584 -13.768 1.00 0.00 H new ATOM 0 HA SER A 95 -9.688 -5.890 -13.758 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.419 -7.892 -13.408 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.124 -8.296 -13.434 1.00 0.00 H new ATOM 0 HG SER A 95 -8.128 -8.560 -15.510 1.00 0.00 H new ATOM 1593 N SER A 96 -7.930 -5.428 -11.184 1.00 0.00 N ATOM 1594 CA SER A 96 -7.908 -5.298 -9.737 1.00 0.00 C ATOM 1595 C SER A 96 -8.916 -4.239 -9.274 1.00 0.00 C ATOM 1596 O SER A 96 -8.538 -3.174 -8.784 1.00 0.00 O ATOM 1597 CB SER A 96 -6.495 -4.924 -9.273 1.00 0.00 C ATOM 1598 OG SER A 96 -5.525 -5.799 -9.829 1.00 0.00 O ATOM 0 H SER A 96 -7.188 -4.915 -11.660 1.00 0.00 H new ATOM 0 HA SER A 96 -8.190 -6.253 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.273 -3.898 -9.565 1.00 0.00 H new ATOM 0 HB3 SER A 96 -6.444 -4.964 -8.185 1.00 0.00 H new ATOM 0 HG SER A 96 -4.996 -6.201 -9.109 1.00 0.00 H new ATOM 1604 N SER A 97 -10.197 -4.534 -9.446 1.00 0.00 N ATOM 1605 CA SER A 97 -11.260 -3.615 -9.052 1.00 0.00 C ATOM 1606 C SER A 97 -12.257 -4.316 -8.131 1.00 0.00 C ATOM 1607 O SER A 97 -12.485 -3.823 -7.005 1.00 0.00 O ATOM 1608 CB SER A 97 -11.984 -3.071 -10.286 1.00 0.00 C ATOM 1609 OG SER A 97 -11.083 -2.415 -11.169 1.00 0.00 O ATOM 1610 OXT SER A 97 -12.793 -5.370 -8.528 1.00 0.00 O ATOM 0 H SER A 97 -10.528 -5.407 -9.858 1.00 0.00 H new ATOM 0 HA SER A 97 -10.808 -2.782 -8.514 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.478 -3.889 -10.810 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.763 -2.375 -9.975 1.00 0.00 H new ATOM 0 HG SER A 97 -11.574 -2.080 -11.948 1.00 0.00 H new TER 1616 SER A 97