USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 952 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 79 SER OG : rot 180:sc= 0.0219 USER MOD Set 1.2: A 105 ASN : amide:sc= 0.0182 X(o=0.04,f=0.41) USER MOD Set 2.1: A 12 HIS : no HD1:sc= -0.952 K(o=-1,f=-1.8) USER MOD Set 2.2: A 72 LYS NZ :NH3+ 152:sc= -0.0907 (180deg=-0.755) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.366 USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0372) USER MOD Single : A 6 THR OG1 : rot -94:sc= 1.06 USER MOD Single : A 16 THR OG1 : rot -96:sc= 0.345 USER MOD Single : A 17 THR OG1 : rot 77:sc= 1.1 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0927 K(o=-0.093,f=1.2) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -130:sc= -0.0655 (180deg=-1.9!) USER MOD Single : A 28 GLN : amide:sc= -2.23! K(o=-2.2!,f=-0.005) USER MOD Single : A 31 SER OG : rot -80:sc= 0.539 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0415) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0231) USER MOD Single : A 57 TYR OH : rot 15:sc= -0.034 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= 0.0658 K(o=0.066,f=-1) USER MOD Single : A 62 TYR OH : rot 0:sc= -0.657 USER MOD Single : A 64 THR OG1 : rot 101:sc= 0.63 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc=0.000963 USER MOD Single : A 86 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0168) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -13:sc= 0.576 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0.0415 K(o=0.042,f=-0.73) USER MOD Single : A 115 TYR OH : rot 130:sc= -1.51! USER MOD Single : A 116 CYS SG : rot -14:sc= -2.9! USER MOD Single : A 119 LYS NZ :NH3+ -146:sc= 0.353 (180deg=-0.857) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -8.749 -19.468 -12.711 1.00 0.00 N ATOM 2 CA TYR A 4 -9.061 -18.042 -12.843 1.00 0.00 C ATOM 3 C TYR A 4 -8.290 -17.287 -11.759 1.00 0.00 C ATOM 4 O TYR A 4 -7.963 -17.847 -10.708 1.00 0.00 O ATOM 5 CB TYR A 4 -10.587 -17.880 -12.707 1.00 0.00 C ATOM 6 CG TYR A 4 -11.130 -16.824 -13.648 1.00 0.00 C ATOM 7 CD1 TYR A 4 -11.325 -17.134 -14.959 1.00 0.00 C ATOM 8 CD2 TYR A 4 -11.426 -15.575 -13.198 1.00 0.00 C ATOM 9 CE1 TYR A 4 -11.799 -16.196 -15.820 1.00 0.00 C ATOM 10 CE2 TYR A 4 -11.905 -14.639 -14.058 1.00 0.00 C ATOM 11 CZ TYR A 4 -12.090 -14.948 -15.371 1.00 0.00 C ATOM 12 OH TYR A 4 -12.551 -14.003 -16.247 1.00 0.00 O ATOM 0 HA TYR A 4 -8.763 -17.635 -13.809 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.073 -18.834 -12.913 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.833 -17.612 -11.680 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.102 -18.129 -15.316 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.280 -15.327 -12.157 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.944 -16.443 -16.861 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.140 -13.648 -13.699 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.051 -14.441 -16.967 1.00 0.00 H new ATOM 22 N LYS A 5 -8.063 -15.994 -11.962 1.00 0.00 N ATOM 23 CA LYS A 5 -7.520 -15.167 -10.886 1.00 0.00 C ATOM 24 C LYS A 5 -8.539 -14.146 -10.372 1.00 0.00 C ATOM 25 O LYS A 5 -9.272 -13.493 -11.114 1.00 0.00 O ATOM 26 CB LYS A 5 -6.296 -14.434 -11.440 1.00 0.00 C ATOM 27 CG LYS A 5 -5.088 -15.359 -11.628 1.00 0.00 C ATOM 28 CD LYS A 5 -3.851 -14.576 -12.086 1.00 0.00 C ATOM 29 CE LYS A 5 -2.637 -15.480 -12.317 1.00 0.00 C ATOM 30 NZ LYS A 5 -2.162 -16.076 -11.057 1.00 0.00 N ATOM 0 H LYS A 5 -8.241 -15.503 -12.838 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.258 -15.808 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.552 -13.979 -12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.026 -13.623 -10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.870 -15.871 -10.691 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.327 -16.128 -12.363 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.083 -14.043 -13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.603 -13.824 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.899 -16.271 -13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.833 -14.902 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.272 -16.586 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.002 -15.324 -10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.877 -16.739 -10.696 1.00 0.00 H new ATOM 44 N THR A 6 -8.475 -13.984 -9.059 1.00 0.00 N ATOM 45 CA THR A 6 -9.120 -12.861 -8.362 1.00 0.00 C ATOM 46 C THR A 6 -7.994 -11.905 -7.985 1.00 0.00 C ATOM 47 O THR A 6 -7.023 -12.292 -7.334 1.00 0.00 O ATOM 48 CB THR A 6 -9.907 -13.281 -7.107 1.00 0.00 C ATOM 49 OG1 THR A 6 -10.007 -12.191 -6.198 1.00 0.00 O ATOM 50 CG2 THR A 6 -9.293 -14.476 -6.385 1.00 0.00 C ATOM 0 H THR A 6 -7.977 -14.623 -8.439 1.00 0.00 H new ATOM 0 HA THR A 6 -9.862 -12.405 -9.018 1.00 0.00 H new ATOM 0 HB THR A 6 -10.896 -13.580 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.279 -12.243 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.895 -14.721 -5.510 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.265 -15.333 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.279 -14.229 -6.070 1.00 0.00 H new ATOM 58 N GLY A 7 -8.096 -10.682 -8.479 1.00 0.00 N ATOM 59 CA GLY A 7 -7.052 -9.694 -8.182 1.00 0.00 C ATOM 60 C GLY A 7 -7.532 -8.327 -7.713 1.00 0.00 C ATOM 61 O GLY A 7 -8.627 -8.166 -7.173 1.00 0.00 O ATOM 0 H GLY A 7 -8.859 -10.349 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.397 -10.108 -7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.447 -9.556 -9.078 1.00 0.00 H new ATOM 65 N LEU A 8 -6.618 -7.362 -7.817 1.00 0.00 N ATOM 66 CA LEU A 8 -6.797 -6.079 -7.140 1.00 0.00 C ATOM 67 C LEU A 8 -6.465 -4.962 -8.117 1.00 0.00 C ATOM 68 O LEU A 8 -5.476 -5.036 -8.849 1.00 0.00 O ATOM 69 CB LEU A 8 -5.788 -6.032 -5.971 1.00 0.00 C ATOM 70 CG LEU A 8 -6.442 -5.741 -4.621 1.00 0.00 C ATOM 71 CD1 LEU A 8 -5.353 -5.694 -3.548 1.00 0.00 C ATOM 72 CD2 LEU A 8 -7.226 -4.430 -4.635 1.00 0.00 C ATOM 0 H LEU A 8 -5.756 -7.443 -8.357 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.820 -5.963 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.263 -6.985 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.039 -5.267 -6.177 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.155 -6.536 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.806 -5.487 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.838 -6.654 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.638 -4.908 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.674 -4.263 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.553 -3.606 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.012 -4.484 -5.389 1.00 0.00 H new ATOM 84 N LEU A 9 -7.253 -3.893 -8.100 1.00 0.00 N ATOM 85 CA LEU A 9 -6.877 -2.687 -8.802 1.00 0.00 C ATOM 86 C LEU A 9 -6.898 -1.516 -7.808 1.00 0.00 C ATOM 87 O LEU A 9 -7.835 -1.328 -7.031 1.00 0.00 O ATOM 88 CB LEU A 9 -7.818 -2.646 -9.999 1.00 0.00 C ATOM 89 CG LEU A 9 -7.970 -1.276 -10.620 1.00 0.00 C ATOM 90 CD1 LEU A 9 -6.641 -0.866 -11.229 1.00 0.00 C ATOM 91 CD2 LEU A 9 -9.032 -1.406 -11.691 1.00 0.00 C ATOM 0 H LEU A 9 -8.147 -3.843 -7.611 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.862 -2.635 -9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.453 -3.338 -10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.800 -3.003 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.257 -0.520 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.737 0.121 -11.681 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.878 -0.837 -10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.353 -1.588 -11.993 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.182 -0.440 -12.174 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.712 -2.137 -12.434 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.967 -1.734 -11.238 1.00 0.00 H new ATOM 103 N LEU A 10 -5.845 -0.720 -7.886 1.00 0.00 N ATOM 104 CA LEU A 10 -5.781 0.565 -7.171 1.00 0.00 C ATOM 105 C LEU A 10 -5.784 1.693 -8.200 1.00 0.00 C ATOM 106 O LEU A 10 -4.938 1.751 -9.090 1.00 0.00 O ATOM 107 CB LEU A 10 -4.577 0.716 -6.224 1.00 0.00 C ATOM 108 CG LEU A 10 -4.828 0.220 -4.798 1.00 0.00 C ATOM 109 CD1 LEU A 10 -4.908 -1.306 -4.744 1.00 0.00 C ATOM 110 CD2 LEU A 10 -3.721 0.724 -3.870 1.00 0.00 C ATOM 0 H LEU A 10 -5.014 -0.933 -8.437 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.657 0.608 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.731 0.170 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.291 1.767 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.787 0.616 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.087 -1.625 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.725 -1.650 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.969 -1.732 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.905 0.368 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.758 0.350 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.710 1.814 -3.875 1.00 0.00 H new ATOM 122 N ILE A 11 -6.782 2.564 -8.111 1.00 0.00 N ATOM 123 CA ILE A 11 -6.938 3.633 -9.113 1.00 0.00 C ATOM 124 C ILE A 11 -6.790 4.994 -8.418 1.00 0.00 C ATOM 125 O ILE A 11 -7.332 5.209 -7.336 1.00 0.00 O ATOM 126 CB ILE A 11 -8.325 3.569 -9.798 1.00 0.00 C ATOM 127 CG1 ILE A 11 -8.810 2.139 -10.100 1.00 0.00 C ATOM 128 CG2 ILE A 11 -8.271 4.366 -11.103 1.00 0.00 C ATOM 129 CD1 ILE A 11 -10.256 2.086 -10.598 1.00 0.00 C ATOM 0 H ILE A 11 -7.487 2.560 -7.374 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.171 3.501 -9.876 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.040 3.994 -9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.158 1.692 -10.850 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.721 1.534 -9.198 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.244 4.327 -11.594 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.015 5.403 -10.886 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.516 3.936 -11.761 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.536 1.051 -10.792 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.918 2.505 -9.840 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.346 2.665 -11.517 1.00 0.00 H new ATOM 141 N HIS A 12 -6.129 5.958 -9.054 1.00 0.00 N ATOM 142 CA HIS A 12 -6.272 7.350 -8.612 1.00 0.00 C ATOM 143 C HIS A 12 -7.320 8.030 -9.522 1.00 0.00 C ATOM 144 O HIS A 12 -7.204 7.942 -10.746 1.00 0.00 O ATOM 145 CB HIS A 12 -4.918 8.055 -8.745 1.00 0.00 C ATOM 146 CG HIS A 12 -4.938 9.564 -8.558 1.00 0.00 C ATOM 147 ND1 HIS A 12 -5.637 10.265 -7.584 1.00 0.00 N ATOM 148 CD2 HIS A 12 -4.269 10.439 -9.421 1.00 0.00 C ATOM 149 CE1 HIS A 12 -5.305 11.541 -7.977 1.00 0.00 C ATOM 150 NE2 HIS A 12 -4.482 11.745 -9.046 1.00 0.00 N ATOM 0 H HIS A 12 -5.508 5.814 -9.851 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.595 7.402 -7.572 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.233 7.626 -8.014 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.510 7.835 -9.732 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.669 10.131 -10.264 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.699 12.388 -7.435 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -4.128 12.613 -9.449 1.00 0.00 H new ATOM 158 N PRO A 13 -8.337 8.714 -8.982 1.00 0.00 N ATOM 159 CA PRO A 13 -9.467 9.197 -9.799 1.00 0.00 C ATOM 160 C PRO A 13 -9.236 10.227 -10.916 1.00 0.00 C ATOM 161 O PRO A 13 -10.183 10.561 -11.626 1.00 0.00 O ATOM 162 CB PRO A 13 -10.310 9.885 -8.731 1.00 0.00 C ATOM 163 CG PRO A 13 -10.154 8.996 -7.506 1.00 0.00 C ATOM 164 CD PRO A 13 -8.681 8.600 -7.552 1.00 0.00 C ATOM 0 HA PRO A 13 -9.855 8.348 -10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.958 10.898 -8.536 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.353 9.964 -9.036 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.400 9.529 -6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.807 8.125 -7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.069 9.261 -6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.526 7.587 -7.182 1.00 0.00 H new ATOM 172 N ALA A 14 -8.061 10.837 -11.006 1.00 0.00 N ATOM 173 CA ALA A 14 -7.946 12.076 -11.801 1.00 0.00 C ATOM 174 C ALA A 14 -8.142 11.920 -13.311 1.00 0.00 C ATOM 175 O ALA A 14 -8.959 12.635 -13.895 1.00 0.00 O ATOM 176 CB ALA A 14 -6.588 12.722 -11.534 1.00 0.00 C ATOM 0 H ALA A 14 -7.200 10.519 -10.562 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.774 12.703 -11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.499 13.637 -12.119 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.500 12.959 -10.474 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.794 12.031 -11.818 1.00 0.00 H new ATOM 182 N VAL A 15 -7.455 10.978 -13.949 1.00 0.00 N ATOM 183 CA VAL A 15 -7.781 10.661 -15.350 1.00 0.00 C ATOM 184 C VAL A 15 -8.941 9.642 -15.420 1.00 0.00 C ATOM 185 O VAL A 15 -9.709 9.638 -16.384 1.00 0.00 O ATOM 186 CB VAL A 15 -6.515 10.195 -16.100 1.00 0.00 C ATOM 187 CG1 VAL A 15 -6.824 9.646 -17.499 1.00 0.00 C ATOM 188 CG2 VAL A 15 -5.541 11.367 -16.266 1.00 0.00 C ATOM 0 H VAL A 15 -6.694 10.433 -13.543 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.132 11.560 -15.856 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.080 9.397 -15.498 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.897 9.333 -17.980 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.495 8.791 -17.414 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.299 10.423 -18.098 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.651 11.028 -16.796 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.022 12.162 -16.836 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.256 11.745 -15.284 1.00 0.00 H new ATOM 198 N THR A 16 -9.065 8.768 -14.420 1.00 0.00 N ATOM 199 CA THR A 16 -9.997 7.634 -14.502 1.00 0.00 C ATOM 200 C THR A 16 -11.470 7.947 -14.164 1.00 0.00 C ATOM 201 O THR A 16 -12.314 7.061 -14.301 1.00 0.00 O ATOM 202 CB THR A 16 -9.446 6.506 -13.622 1.00 0.00 C ATOM 203 OG1 THR A 16 -9.309 6.960 -12.282 1.00 0.00 O ATOM 204 CG2 THR A 16 -8.095 6.000 -14.142 1.00 0.00 C ATOM 0 H THR A 16 -8.538 8.819 -13.548 1.00 0.00 H new ATOM 0 HA THR A 16 -10.045 7.340 -15.550 1.00 0.00 H new ATOM 0 HB THR A 16 -10.153 5.677 -13.656 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.388 7.259 -12.130 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.732 5.201 -13.495 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.215 5.620 -15.156 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.376 6.819 -14.144 1.00 0.00 H new ATOM 212 N THR A 17 -11.830 9.189 -13.827 1.00 0.00 N ATOM 213 CA THR A 17 -13.261 9.567 -13.834 1.00 0.00 C ATOM 214 C THR A 17 -13.784 9.793 -15.279 1.00 0.00 C ATOM 215 O THR A 17 -14.990 9.886 -15.511 1.00 0.00 O ATOM 216 CB THR A 17 -13.419 10.827 -12.967 1.00 0.00 C ATOM 217 OG1 THR A 17 -12.985 10.542 -11.643 1.00 0.00 O ATOM 218 CG2 THR A 17 -14.865 11.319 -12.892 1.00 0.00 C ATOM 0 H THR A 17 -11.185 9.930 -13.555 1.00 0.00 H new ATOM 0 HA THR A 17 -13.863 8.757 -13.421 1.00 0.00 H new ATOM 0 HB THR A 17 -12.818 11.608 -13.432 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.005 10.542 -11.613 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.914 12.210 -12.267 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.220 11.559 -13.894 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.493 10.539 -12.462 1.00 0.00 H new ATOM 226 N THR A 18 -12.876 9.747 -16.253 1.00 0.00 N ATOM 227 CA THR A 18 -13.215 9.586 -17.674 1.00 0.00 C ATOM 228 C THR A 18 -12.668 8.200 -18.088 1.00 0.00 C ATOM 229 O THR A 18 -11.553 8.123 -18.600 1.00 0.00 O ATOM 230 CB THR A 18 -12.677 10.730 -18.538 1.00 0.00 C ATOM 231 OG1 THR A 18 -13.092 11.978 -17.998 1.00 0.00 O ATOM 232 CG2 THR A 18 -13.261 10.590 -19.944 1.00 0.00 C ATOM 0 H THR A 18 -11.873 9.821 -16.080 1.00 0.00 H new ATOM 0 HA THR A 18 -14.293 9.632 -17.829 1.00 0.00 H new ATOM 0 HB THR A 18 -11.588 10.688 -18.564 1.00 0.00 H new ATOM 0 HG1 THR A 18 -12.744 12.707 -18.553 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.889 11.397 -20.575 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.963 9.631 -20.368 1.00 0.00 H new ATOM 0 HG23 THR A 18 -14.349 10.642 -19.893 1.00 0.00 H new ATOM 240 N PRO A 19 -13.294 7.108 -17.621 1.00 0.00 N ATOM 241 CA PRO A 19 -12.651 5.788 -17.476 1.00 0.00 C ATOM 242 C PRO A 19 -12.329 5.045 -18.790 1.00 0.00 C ATOM 243 O PRO A 19 -12.737 3.898 -18.976 1.00 0.00 O ATOM 244 CB PRO A 19 -13.714 5.053 -16.646 1.00 0.00 C ATOM 245 CG PRO A 19 -15.052 5.657 -17.066 1.00 0.00 C ATOM 246 CD PRO A 19 -14.728 7.123 -17.336 1.00 0.00 C ATOM 0 HA PRO A 19 -11.657 5.859 -17.034 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.690 3.981 -16.839 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.541 5.188 -15.578 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.450 5.166 -17.954 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.801 5.552 -16.281 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.301 7.512 -18.178 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.960 7.751 -16.475 1.00 0.00 H new ATOM 254 N GLU A 20 -11.527 5.634 -19.681 1.00 0.00 N ATOM 255 CA GLU A 20 -11.008 4.872 -20.829 1.00 0.00 C ATOM 256 C GLU A 20 -9.916 3.876 -20.405 1.00 0.00 C ATOM 257 O GLU A 20 -9.994 2.701 -20.759 1.00 0.00 O ATOM 258 CB GLU A 20 -10.462 5.827 -21.895 1.00 0.00 C ATOM 259 CG GLU A 20 -11.560 6.652 -22.575 1.00 0.00 C ATOM 260 CD GLU A 20 -10.972 7.604 -23.608 1.00 0.00 C ATOM 261 OE1 GLU A 20 -10.831 7.203 -24.784 1.00 0.00 O ATOM 262 OE2 GLU A 20 -10.646 8.757 -23.250 1.00 0.00 O ATOM 0 H GLU A 20 -11.227 6.608 -19.637 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.837 4.300 -21.246 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.740 6.502 -21.436 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.926 5.252 -22.650 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.275 5.985 -23.057 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.110 7.220 -21.824 1.00 0.00 H new ATOM 269 N LEU A 21 -8.904 4.316 -19.649 1.00 0.00 N ATOM 270 CA LEU A 21 -7.865 3.389 -19.157 1.00 0.00 C ATOM 271 C LEU A 21 -8.432 2.336 -18.184 1.00 0.00 C ATOM 272 O LEU A 21 -7.921 1.220 -18.109 1.00 0.00 O ATOM 273 CB LEU A 21 -6.743 4.164 -18.441 1.00 0.00 C ATOM 274 CG LEU A 21 -5.854 5.027 -19.356 1.00 0.00 C ATOM 275 CD1 LEU A 21 -6.546 6.316 -19.814 1.00 0.00 C ATOM 276 CD2 LEU A 21 -4.576 5.404 -18.599 1.00 0.00 C ATOM 0 H LEU A 21 -8.778 5.288 -19.366 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.471 2.874 -20.033 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.193 4.809 -17.686 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.110 3.450 -17.914 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.635 4.434 -20.244 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.871 6.883 -20.456 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.450 6.066 -20.369 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.809 6.917 -18.943 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.941 6.015 -19.240 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.837 5.967 -17.703 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.041 4.498 -18.315 1.00 0.00 H new ATOM 288 N VAL A 22 -9.487 2.679 -17.442 1.00 0.00 N ATOM 289 CA VAL A 22 -10.187 1.684 -16.607 1.00 0.00 C ATOM 290 C VAL A 22 -10.835 0.584 -17.468 1.00 0.00 C ATOM 291 O VAL A 22 -10.605 -0.599 -17.218 1.00 0.00 O ATOM 292 CB VAL A 22 -11.152 2.439 -15.669 1.00 0.00 C ATOM 293 CG1 VAL A 22 -12.346 1.607 -15.186 1.00 0.00 C ATOM 294 CG2 VAL A 22 -10.384 2.923 -14.436 1.00 0.00 C ATOM 0 H VAL A 22 -9.875 3.621 -17.398 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.489 1.135 -15.975 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.553 3.263 -16.259 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.972 2.214 -14.532 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.931 1.277 -16.045 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.985 0.737 -14.637 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.063 3.457 -13.771 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.961 2.066 -13.911 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.581 3.591 -14.747 1.00 0.00 H new ATOM 304 N GLU A 23 -11.597 0.937 -18.501 1.00 0.00 N ATOM 305 CA GLU A 23 -12.130 -0.086 -19.424 1.00 0.00 C ATOM 306 C GLU A 23 -11.030 -0.906 -20.126 1.00 0.00 C ATOM 307 O GLU A 23 -11.188 -2.106 -20.344 1.00 0.00 O ATOM 308 CB GLU A 23 -12.998 0.596 -20.489 1.00 0.00 C ATOM 309 CG GLU A 23 -14.306 1.151 -19.914 1.00 0.00 C ATOM 310 CD GLU A 23 -15.104 1.892 -20.980 1.00 0.00 C ATOM 311 OE1 GLU A 23 -14.893 3.112 -21.149 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.947 1.260 -21.650 1.00 0.00 O ATOM 0 H GLU A 23 -11.860 1.897 -18.725 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.714 -0.781 -18.821 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.433 1.408 -20.948 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.227 -0.119 -21.279 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.904 0.335 -19.510 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.086 1.825 -19.086 1.00 0.00 H new ATOM 319 N ASN A 24 -9.921 -0.261 -20.468 1.00 0.00 N ATOM 320 CA ASN A 24 -8.759 -0.944 -21.056 1.00 0.00 C ATOM 321 C ASN A 24 -8.105 -1.982 -20.133 1.00 0.00 C ATOM 322 O ASN A 24 -7.854 -3.105 -20.570 1.00 0.00 O ATOM 323 CB ASN A 24 -7.742 0.154 -21.373 1.00 0.00 C ATOM 324 CG ASN A 24 -7.944 0.793 -22.746 1.00 0.00 C ATOM 325 OD1 ASN A 24 -8.561 1.848 -22.888 1.00 0.00 O ATOM 326 ND2 ASN A 24 -7.416 0.162 -23.780 1.00 0.00 N ATOM 0 H ASN A 24 -9.795 0.744 -20.349 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.091 -1.502 -21.932 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.804 0.928 -20.608 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.737 -0.266 -21.321 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.516 0.548 -24.719 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.908 -0.711 -23.639 1.00 0.00 H new ATOM 333 N THR A 25 -7.805 -1.640 -18.877 1.00 0.00 N ATOM 334 CA THR A 25 -7.212 -2.641 -17.965 1.00 0.00 C ATOM 335 C THR A 25 -8.188 -3.796 -17.680 1.00 0.00 C ATOM 336 O THR A 25 -7.786 -4.960 -17.643 1.00 0.00 O ATOM 337 CB THR A 25 -6.642 -2.000 -16.685 1.00 0.00 C ATOM 338 OG1 THR A 25 -5.834 -2.957 -16.018 1.00 0.00 O ATOM 339 CG2 THR A 25 -7.695 -1.495 -15.698 1.00 0.00 C ATOM 0 H THR A 25 -7.953 -0.715 -18.473 1.00 0.00 H new ATOM 0 HA THR A 25 -6.357 -3.081 -18.478 1.00 0.00 H new ATOM 0 HB THR A 25 -6.079 -1.126 -17.013 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.464 -2.561 -15.202 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.201 -1.061 -14.829 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.312 -0.737 -16.181 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.324 -2.327 -15.380 1.00 0.00 H new ATOM 347 N LYS A 26 -9.476 -3.484 -17.545 1.00 0.00 N ATOM 348 CA LYS A 26 -10.504 -4.528 -17.497 1.00 0.00 C ATOM 349 C LYS A 26 -10.570 -5.352 -18.795 1.00 0.00 C ATOM 350 O LYS A 26 -10.844 -6.549 -18.732 1.00 0.00 O ATOM 351 CB LYS A 26 -11.870 -3.872 -17.243 1.00 0.00 C ATOM 352 CG LYS A 26 -11.958 -3.081 -15.929 1.00 0.00 C ATOM 353 CD LYS A 26 -11.904 -3.981 -14.697 1.00 0.00 C ATOM 354 CE LYS A 26 -12.185 -3.173 -13.428 1.00 0.00 C ATOM 355 NZ LYS A 26 -12.211 -4.051 -12.250 1.00 0.00 N ATOM 0 H LYS A 26 -9.832 -2.531 -17.468 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.242 -5.213 -16.690 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.098 -3.202 -18.072 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.637 -4.647 -17.239 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.139 -2.363 -15.886 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.885 -2.508 -15.916 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.636 -4.783 -14.793 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.923 -4.451 -14.626 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.419 -2.408 -13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.140 -2.656 -13.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.074 -3.867 -11.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.201 -5.045 -12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.376 -3.863 -11.659 1.00 0.00 H new ATOM 369 N ALA A 27 -10.342 -4.750 -19.969 1.00 0.00 N ATOM 370 CA ALA A 27 -10.402 -5.522 -21.222 1.00 0.00 C ATOM 371 C ALA A 27 -9.254 -6.531 -21.375 1.00 0.00 C ATOM 372 O ALA A 27 -9.480 -7.681 -21.756 1.00 0.00 O ATOM 373 CB ALA A 27 -10.444 -4.564 -22.414 1.00 0.00 C ATOM 0 H ALA A 27 -10.120 -3.761 -20.081 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.316 -6.115 -21.188 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.488 -5.137 -23.340 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.326 -3.928 -22.338 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.548 -3.944 -22.414 1.00 0.00 H new ATOM 379 N GLN A 28 -8.031 -6.108 -21.066 1.00 0.00 N ATOM 380 CA GLN A 28 -6.886 -7.036 -21.057 1.00 0.00 C ATOM 381 C GLN A 28 -7.098 -8.184 -20.064 1.00 0.00 C ATOM 382 O GLN A 28 -6.988 -9.358 -20.422 1.00 0.00 O ATOM 383 CB GLN A 28 -5.630 -6.298 -20.591 1.00 0.00 C ATOM 384 CG GLN A 28 -5.105 -5.218 -21.542 1.00 0.00 C ATOM 385 CD GLN A 28 -3.962 -4.476 -20.859 1.00 0.00 C ATOM 386 OE1 GLN A 28 -2.802 -4.541 -21.267 1.00 0.00 O ATOM 387 NE2 GLN A 28 -4.285 -3.796 -19.773 1.00 0.00 N ATOM 0 H GLN A 28 -7.801 -5.145 -20.821 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.785 -7.425 -22.070 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.839 -5.836 -19.626 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.839 -7.030 -20.430 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.760 -5.669 -22.472 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.904 -4.523 -21.802 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.256 -3.762 -19.462 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.563 -3.305 -19.246 1.00 0.00 H new ATOM 396 N ALA A 29 -7.389 -7.834 -18.810 1.00 0.00 N ATOM 397 CA ALA A 29 -7.637 -8.856 -17.780 1.00 0.00 C ATOM 398 C ALA A 29 -8.782 -9.814 -18.161 1.00 0.00 C ATOM 399 O ALA A 29 -8.704 -11.016 -17.914 1.00 0.00 O ATOM 400 CB ALA A 29 -7.914 -8.117 -16.469 1.00 0.00 C ATOM 0 H ALA A 29 -7.459 -6.871 -18.482 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.763 -9.499 -17.676 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.104 -8.841 -15.676 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.049 -7.508 -16.205 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.787 -7.475 -16.591 1.00 0.00 H new ATOM 406 N ALA A 30 -9.849 -9.283 -18.756 1.00 0.00 N ATOM 407 CA ALA A 30 -11.075 -10.077 -18.959 1.00 0.00 C ATOM 408 C ALA A 30 -11.016 -11.032 -20.165 1.00 0.00 C ATOM 409 O ALA A 30 -11.340 -12.213 -20.021 1.00 0.00 O ATOM 410 CB ALA A 30 -12.274 -9.137 -19.101 1.00 0.00 C ATOM 0 H ALA A 30 -9.898 -8.325 -19.103 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.178 -10.712 -18.079 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.180 -9.724 -19.251 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.375 -8.537 -18.196 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.121 -8.479 -19.957 1.00 0.00 H new ATOM 416 N SER A 31 -10.566 -10.571 -21.336 1.00 0.00 N ATOM 417 CA SER A 31 -10.290 -11.488 -22.458 1.00 0.00 C ATOM 418 C SER A 31 -9.264 -12.604 -22.180 1.00 0.00 C ATOM 419 O SER A 31 -9.282 -13.640 -22.846 1.00 0.00 O ATOM 420 CB SER A 31 -9.822 -10.655 -23.655 1.00 0.00 C ATOM 421 OG SER A 31 -8.590 -10.005 -23.367 1.00 0.00 O ATOM 0 H SER A 31 -10.386 -9.587 -21.535 1.00 0.00 H new ATOM 0 HA SER A 31 -11.225 -12.015 -22.648 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.704 -11.298 -24.527 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.580 -9.913 -23.906 1.00 0.00 H new ATOM 0 HG SER A 31 -8.761 -9.204 -22.829 1.00 0.00 H new ATOM 427 N LYS A 32 -8.416 -12.437 -21.168 1.00 0.00 N ATOM 428 CA LYS A 32 -7.559 -13.527 -20.707 1.00 0.00 C ATOM 429 C LYS A 32 -8.325 -14.388 -19.693 1.00 0.00 C ATOM 430 O LYS A 32 -9.179 -15.196 -20.058 1.00 0.00 O ATOM 431 CB LYS A 32 -6.259 -12.904 -20.167 1.00 0.00 C ATOM 432 CG LYS A 32 -5.418 -12.230 -21.260 1.00 0.00 C ATOM 433 CD LYS A 32 -4.142 -11.614 -20.678 1.00 0.00 C ATOM 434 CE LYS A 32 -3.322 -10.915 -21.765 1.00 0.00 C ATOM 435 NZ LYS A 32 -2.103 -10.329 -21.186 1.00 0.00 N ATOM 0 H LYS A 32 -8.304 -11.563 -20.654 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.281 -14.208 -21.511 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.506 -12.169 -19.401 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.664 -13.679 -19.685 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.156 -12.962 -22.024 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.008 -11.455 -21.750 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.403 -10.898 -19.898 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.540 -12.392 -20.208 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.056 -11.628 -22.545 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.920 -10.135 -22.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.555 -9.858 -21.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.364 -9.634 -20.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.527 -11.081 -20.756 1.00 0.00 H new ATOM 449 N LYS A 33 -7.981 -14.231 -18.428 1.00 0.00 N ATOM 450 CA LYS A 33 -8.478 -15.142 -17.377 1.00 0.00 C ATOM 451 C LYS A 33 -8.611 -14.475 -15.995 1.00 0.00 C ATOM 452 O LYS A 33 -8.712 -15.139 -14.965 1.00 0.00 O ATOM 453 CB LYS A 33 -7.494 -16.315 -17.292 1.00 0.00 C ATOM 454 CG LYS A 33 -8.153 -17.652 -16.945 1.00 0.00 C ATOM 455 CD LYS A 33 -9.116 -18.092 -18.050 1.00 0.00 C ATOM 456 CE LYS A 33 -9.517 -19.560 -17.886 1.00 0.00 C ATOM 457 NZ LYS A 33 -10.442 -19.958 -18.957 1.00 0.00 N ATOM 0 H LYS A 33 -7.365 -13.491 -18.091 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.484 -15.463 -17.649 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.977 -16.413 -18.246 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.737 -16.088 -16.541 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.386 -18.413 -16.802 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.693 -17.562 -16.002 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.007 -17.465 -18.030 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.647 -17.947 -19.023 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.629 -20.192 -17.910 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.989 -19.709 -16.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.706 -20.956 -18.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.296 -19.366 -18.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.979 -19.834 -19.880 1.00 0.00 H new ATOM 471 N VAL A 34 -8.582 -13.152 -15.993 1.00 0.00 N ATOM 472 CA VAL A 34 -8.450 -12.385 -14.746 1.00 0.00 C ATOM 473 C VAL A 34 -9.576 -11.347 -14.631 1.00 0.00 C ATOM 474 O VAL A 34 -9.563 -10.336 -15.328 1.00 0.00 O ATOM 475 CB VAL A 34 -7.095 -11.651 -14.671 1.00 0.00 C ATOM 476 CG1 VAL A 34 -6.932 -11.022 -13.286 1.00 0.00 C ATOM 477 CG2 VAL A 34 -5.883 -12.549 -14.932 1.00 0.00 C ATOM 0 H VAL A 34 -8.647 -12.580 -16.835 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.513 -13.099 -13.925 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.118 -10.901 -15.461 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.975 -10.503 -13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.740 -10.312 -13.112 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.965 -11.802 -12.526 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.970 -11.958 -14.861 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.856 -13.348 -14.191 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.959 -12.981 -15.930 1.00 0.00 H new ATOM 487 N LYS A 35 -10.510 -11.533 -13.702 1.00 0.00 N ATOM 488 CA LYS A 35 -11.400 -10.411 -13.354 1.00 0.00 C ATOM 489 C LYS A 35 -10.853 -9.784 -12.070 1.00 0.00 C ATOM 490 O LYS A 35 -10.514 -10.473 -11.106 1.00 0.00 O ATOM 491 CB LYS A 35 -12.868 -10.814 -13.158 1.00 0.00 C ATOM 492 CG LYS A 35 -13.529 -11.282 -14.457 1.00 0.00 C ATOM 493 CD LYS A 35 -14.976 -11.727 -14.220 1.00 0.00 C ATOM 494 CE LYS A 35 -15.654 -12.229 -15.499 1.00 0.00 C ATOM 495 NZ LYS A 35 -15.827 -11.142 -16.479 1.00 0.00 N ATOM 0 H LYS A 35 -10.673 -12.402 -13.194 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.406 -9.710 -14.188 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.926 -11.612 -12.417 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.423 -9.966 -12.757 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.511 -10.474 -15.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.958 -12.108 -14.881 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.991 -12.518 -13.470 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.547 -10.892 -13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.056 -13.027 -15.940 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.626 -12.657 -15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.393 -11.485 -17.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.315 -10.342 -16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.895 -10.831 -16.820 1.00 0.00 H new ATOM 509 N PHE A 36 -10.796 -8.458 -12.062 1.00 0.00 N ATOM 510 CA PHE A 36 -10.410 -7.742 -10.834 1.00 0.00 C ATOM 511 C PHE A 36 -11.699 -7.485 -10.036 1.00 0.00 C ATOM 512 O PHE A 36 -12.757 -7.200 -10.600 1.00 0.00 O ATOM 513 CB PHE A 36 -9.619 -6.443 -11.116 1.00 0.00 C ATOM 514 CG PHE A 36 -8.362 -6.601 -11.975 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.382 -7.507 -11.680 1.00 0.00 C ATOM 516 CD2 PHE A 36 -8.191 -5.764 -13.037 1.00 0.00 C ATOM 517 CE1 PHE A 36 -6.288 -7.611 -12.483 1.00 0.00 C ATOM 518 CE2 PHE A 36 -7.098 -5.869 -13.831 1.00 0.00 C ATOM 519 CZ PHE A 36 -6.154 -6.803 -13.563 1.00 0.00 C ATOM 0 H PHE A 36 -11.004 -7.862 -12.864 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.720 -8.352 -10.252 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.285 -5.734 -11.608 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.331 -6.001 -10.162 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.476 -8.140 -10.810 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.934 -5.009 -13.248 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.524 -8.340 -12.259 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.979 -5.208 -14.677 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.295 -6.904 -14.210 1.00 0.00 H new ATOM 529 N VAL A 37 -11.618 -7.644 -8.717 1.00 0.00 N ATOM 530 CA VAL A 37 -12.841 -7.787 -7.896 1.00 0.00 C ATOM 531 C VAL A 37 -12.965 -6.745 -6.772 1.00 0.00 C ATOM 532 O VAL A 37 -14.070 -6.423 -6.330 1.00 0.00 O ATOM 533 CB VAL A 37 -12.892 -9.230 -7.352 1.00 0.00 C ATOM 534 CG1 VAL A 37 -11.795 -9.548 -6.328 1.00 0.00 C ATOM 535 CG2 VAL A 37 -14.260 -9.558 -6.750 1.00 0.00 C ATOM 0 H VAL A 37 -10.744 -7.678 -8.193 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.702 -7.592 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.713 -9.861 -8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.898 -10.580 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.817 -9.412 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.890 -8.878 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.257 -10.582 -6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.469 -8.873 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.029 -9.452 -7.515 1.00 0.00 H new ATOM 545 N ASP A 38 -11.835 -6.227 -6.314 1.00 0.00 N ATOM 546 CA ASP A 38 -11.815 -5.259 -5.208 1.00 0.00 C ATOM 547 C ASP A 38 -11.145 -3.986 -5.715 1.00 0.00 C ATOM 548 O ASP A 38 -10.034 -3.996 -6.245 1.00 0.00 O ATOM 549 CB ASP A 38 -11.186 -5.718 -3.890 1.00 0.00 C ATOM 550 CG ASP A 38 -12.108 -6.616 -3.072 1.00 0.00 C ATOM 551 OD1 ASP A 38 -12.551 -7.669 -3.581 1.00 0.00 O ATOM 552 OD2 ASP A 38 -12.399 -6.269 -1.906 1.00 0.00 O ATOM 0 H ASP A 38 -10.914 -6.456 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.857 -5.105 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.261 -6.253 -4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.919 -4.843 -3.297 1.00 0.00 H new ATOM 557 N GLN A 39 -11.899 -2.901 -5.635 1.00 0.00 N ATOM 558 CA GLN A 39 -11.496 -1.654 -6.297 1.00 0.00 C ATOM 559 C GLN A 39 -11.209 -0.634 -5.224 1.00 0.00 C ATOM 560 O GLN A 39 -12.079 -0.278 -4.430 1.00 0.00 O ATOM 561 CB GLN A 39 -12.632 -1.009 -7.098 1.00 0.00 C ATOM 562 CG GLN A 39 -13.040 -1.859 -8.300 1.00 0.00 C ATOM 563 CD GLN A 39 -14.014 -1.119 -9.213 1.00 0.00 C ATOM 564 OE1 GLN A 39 -15.218 -1.072 -8.966 1.00 0.00 O ATOM 565 NE2 GLN A 39 -13.506 -0.532 -10.282 1.00 0.00 N ATOM 0 H GLN A 39 -12.782 -2.850 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.658 -1.906 -6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.495 -0.862 -6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.319 -0.023 -7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.151 -2.138 -8.866 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.500 -2.784 -7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.504 -0.585 -10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.116 -0.026 -10.924 1.00 0.00 H new ATOM 574 N PHE A 40 -9.961 -0.194 -5.210 1.00 0.00 N ATOM 575 CA PHE A 40 -9.520 0.704 -4.141 1.00 0.00 C ATOM 576 C PHE A 40 -9.006 1.998 -4.766 1.00 0.00 C ATOM 577 O PHE A 40 -7.902 2.076 -5.303 1.00 0.00 O ATOM 578 CB PHE A 40 -8.418 0.093 -3.275 1.00 0.00 C ATOM 579 CG PHE A 40 -8.671 -1.249 -2.593 1.00 0.00 C ATOM 580 CD1 PHE A 40 -9.918 -1.762 -2.408 1.00 0.00 C ATOM 581 CD2 PHE A 40 -7.595 -1.956 -2.147 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.089 -2.966 -1.813 1.00 0.00 C ATOM 583 CE2 PHE A 40 -7.764 -3.161 -1.547 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.009 -3.679 -1.407 1.00 0.00 C ATOM 0 H PHE A 40 -9.250 -0.431 -5.902 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.376 0.891 -3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.532 -0.017 -3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.172 0.816 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.780 -1.203 -2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.600 -1.554 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.084 -3.358 -1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.907 -3.707 -1.181 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.141 -4.659 -0.972 1.00 0.00 H new ATOM 594 N LEU A 41 -9.803 3.041 -4.635 1.00 0.00 N ATOM 595 CA LEU A 41 -9.396 4.363 -5.104 1.00 0.00 C ATOM 596 C LEU A 41 -8.569 5.004 -3.988 1.00 0.00 C ATOM 597 O LEU A 41 -8.747 4.713 -2.803 1.00 0.00 O ATOM 598 CB LEU A 41 -10.654 5.190 -5.411 1.00 0.00 C ATOM 599 CG LEU A 41 -11.279 4.929 -6.795 1.00 0.00 C ATOM 600 CD1 LEU A 41 -11.697 3.470 -7.010 1.00 0.00 C ATOM 601 CD2 LEU A 41 -12.513 5.819 -6.973 1.00 0.00 C ATOM 0 H LEU A 41 -10.730 3.006 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.800 4.307 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.402 4.984 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.403 6.248 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.508 5.160 -7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.129 3.358 -8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.824 2.824 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.436 3.189 -6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.956 5.635 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.242 5.590 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.220 6.866 -6.898 1.00 0.00 H new ATOM 613 N ILE A 42 -7.624 5.855 -4.367 1.00 0.00 N ATOM 614 CA ILE A 42 -6.652 6.368 -3.389 1.00 0.00 C ATOM 615 C ILE A 42 -7.296 7.208 -2.266 1.00 0.00 C ATOM 616 O ILE A 42 -6.954 7.038 -1.093 1.00 0.00 O ATOM 617 CB ILE A 42 -5.495 7.022 -4.181 1.00 0.00 C ATOM 618 CG1 ILE A 42 -4.301 7.382 -3.300 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.875 8.280 -4.966 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.828 6.206 -2.447 1.00 0.00 C ATOM 0 H ILE A 42 -7.504 6.202 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.220 5.558 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.231 6.239 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.479 7.724 -3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.571 8.213 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.997 8.663 -5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.650 8.035 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.249 9.039 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.977 6.516 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.639 5.879 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.530 5.383 -3.096 1.00 0.00 H new ATOM 632 N ASN A 43 -8.279 8.045 -2.594 1.00 0.00 N ATOM 633 CA ASN A 43 -9.009 8.781 -1.546 1.00 0.00 C ATOM 634 C ASN A 43 -10.034 7.909 -0.794 1.00 0.00 C ATOM 635 O ASN A 43 -10.280 8.144 0.390 1.00 0.00 O ATOM 636 CB ASN A 43 -9.728 9.986 -2.170 1.00 0.00 C ATOM 637 CG ASN A 43 -8.768 11.008 -2.781 1.00 0.00 C ATOM 638 OD1 ASN A 43 -8.447 10.961 -3.967 1.00 0.00 O ATOM 639 ND2 ASN A 43 -8.300 11.946 -1.977 1.00 0.00 N ATOM 0 H ASN A 43 -8.587 8.232 -3.548 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.269 9.106 -0.815 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.413 9.633 -2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.333 10.476 -1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.658 12.652 -2.337 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.581 11.964 -0.997 1.00 0.00 H new ATOM 646 N LYS A 44 -10.622 6.898 -1.438 1.00 0.00 N ATOM 647 CA LYS A 44 -11.632 6.069 -0.768 1.00 0.00 C ATOM 648 C LYS A 44 -11.029 4.982 0.136 1.00 0.00 C ATOM 649 O LYS A 44 -11.631 4.644 1.156 1.00 0.00 O ATOM 650 CB LYS A 44 -12.551 5.438 -1.820 1.00 0.00 C ATOM 651 CG LYS A 44 -13.421 6.473 -2.546 1.00 0.00 C ATOM 652 CD LYS A 44 -14.431 5.789 -3.469 1.00 0.00 C ATOM 653 CE LYS A 44 -15.268 6.820 -4.229 1.00 0.00 C ATOM 654 NZ LYS A 44 -16.231 6.145 -5.110 1.00 0.00 N ATOM 0 H LYS A 44 -10.423 6.635 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.202 6.726 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.945 4.902 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.195 4.702 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.948 7.087 -1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.787 7.143 -3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.905 5.149 -4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.086 5.145 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.797 7.460 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.616 7.465 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.793 6.856 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.719 5.552 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.864 5.548 -4.540 1.00 0.00 H new ATOM 668 N LEU A 45 -9.857 4.432 -0.188 1.00 0.00 N ATOM 669 CA LEU A 45 -9.211 3.473 0.729 1.00 0.00 C ATOM 670 C LEU A 45 -8.652 4.152 1.982 1.00 0.00 C ATOM 671 O LEU A 45 -8.794 3.650 3.099 1.00 0.00 O ATOM 672 CB LEU A 45 -8.021 2.863 -0.016 1.00 0.00 C ATOM 673 CG LEU A 45 -7.486 1.571 0.624 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.537 0.455 0.637 1.00 0.00 C ATOM 675 CD2 LEU A 45 -6.235 1.103 -0.123 1.00 0.00 C ATOM 0 H LEU A 45 -9.344 4.622 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.956 2.739 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.316 2.653 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.216 3.597 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.236 1.795 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.114 -0.438 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.407 0.781 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.838 0.227 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.860 0.187 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.485 0.912 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.469 1.876 -0.069 1.00 0.00 H new ATOM 687 N ASN A 46 -8.059 5.325 1.785 1.00 0.00 N ATOM 688 CA ASN A 46 -7.555 6.109 2.926 1.00 0.00 C ATOM 689 C ASN A 46 -8.685 6.757 3.761 1.00 0.00 C ATOM 690 O ASN A 46 -8.467 7.105 4.922 1.00 0.00 O ATOM 691 CB ASN A 46 -6.539 7.126 2.380 1.00 0.00 C ATOM 692 CG ASN A 46 -5.827 7.913 3.479 1.00 0.00 C ATOM 693 OD1 ASN A 46 -5.033 7.374 4.246 1.00 0.00 O ATOM 694 ND2 ASN A 46 -6.098 9.204 3.565 1.00 0.00 N ATOM 0 H ASN A 46 -7.914 5.753 0.871 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.059 5.448 3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.797 6.601 1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.052 7.823 1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.644 9.774 4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.761 9.630 2.917 1.00 0.00 H new ATOM 701 N ASP A 47 -9.895 6.884 3.210 1.00 0.00 N ATOM 702 CA ASP A 47 -11.051 7.323 4.012 1.00 0.00 C ATOM 703 C ASP A 47 -11.751 6.138 4.708 1.00 0.00 C ATOM 704 O ASP A 47 -12.192 6.283 5.849 1.00 0.00 O ATOM 705 CB ASP A 47 -12.022 8.130 3.132 1.00 0.00 C ATOM 706 CG ASP A 47 -13.191 8.712 3.924 1.00 0.00 C ATOM 707 OD1 ASP A 47 -13.009 9.757 4.586 1.00 0.00 O ATOM 708 OD2 ASP A 47 -14.294 8.126 3.888 1.00 0.00 O ATOM 0 H ASP A 47 -10.103 6.694 2.230 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.691 7.973 4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.478 8.940 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.409 7.487 2.341 1.00 0.00 H new ATOM 713 N GLY A 48 -11.877 4.983 4.049 1.00 0.00 N ATOM 714 CA GLY A 48 -12.535 3.828 4.684 1.00 0.00 C ATOM 715 C GLY A 48 -13.846 3.366 4.025 1.00 0.00 C ATOM 716 O GLY A 48 -14.624 2.649 4.654 1.00 0.00 O ATOM 0 H GLY A 48 -11.543 4.819 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.836 2.991 4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.740 4.077 5.725 1.00 0.00 H new ATOM 720 N SER A 49 -14.138 3.799 2.800 1.00 0.00 N ATOM 721 CA SER A 49 -15.463 3.543 2.196 1.00 0.00 C ATOM 722 C SER A 49 -15.686 2.133 1.611 1.00 0.00 C ATOM 723 O SER A 49 -16.781 1.831 1.129 1.00 0.00 O ATOM 724 CB SER A 49 -15.644 4.558 1.064 1.00 0.00 C ATOM 725 OG SER A 49 -15.557 5.887 1.560 1.00 0.00 O ATOM 0 H SER A 49 -13.493 4.321 2.207 1.00 0.00 H new ATOM 0 HA SER A 49 -16.186 3.632 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.882 4.399 0.301 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.611 4.406 0.585 1.00 0.00 H new ATOM 0 HG SER A 49 -15.673 6.520 0.821 1.00 0.00 H new ATOM 731 N ILE A 50 -14.671 1.275 1.625 1.00 0.00 N ATOM 732 CA ILE A 50 -14.689 0.064 0.778 1.00 0.00 C ATOM 733 C ILE A 50 -14.732 -1.180 1.671 1.00 0.00 C ATOM 734 O ILE A 50 -14.520 -1.095 2.883 1.00 0.00 O ATOM 735 CB ILE A 50 -13.394 0.083 -0.074 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.245 1.459 -0.751 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.330 -1.076 -1.091 1.00 0.00 C ATOM 738 CD1 ILE A 50 -12.092 1.525 -1.737 1.00 0.00 C ATOM 0 H ILE A 50 -13.835 1.383 2.199 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.565 0.043 0.130 1.00 0.00 H new ATOM 0 HB ILE A 50 -12.547 -0.075 0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.172 1.702 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.101 2.219 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.402 -1.011 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.365 -2.028 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.178 -1.009 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.045 2.521 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.157 1.313 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.245 0.788 -2.525 1.00 0.00 H new ATOM 750 N THR A 51 -14.968 -2.350 1.073 1.00 0.00 N ATOM 751 CA THR A 51 -14.773 -3.584 1.854 1.00 0.00 C ATOM 752 C THR A 51 -13.414 -4.205 1.501 1.00 0.00 C ATOM 753 O THR A 51 -12.833 -4.013 0.431 1.00 0.00 O ATOM 754 CB THR A 51 -15.947 -4.560 1.589 1.00 0.00 C ATOM 755 OG1 THR A 51 -17.177 -3.882 1.807 1.00 0.00 O ATOM 756 CG2 THR A 51 -15.931 -5.797 2.495 1.00 0.00 C ATOM 0 H THR A 51 -15.276 -2.474 0.109 1.00 0.00 H new ATOM 0 HA THR A 51 -14.767 -3.359 2.920 1.00 0.00 H new ATOM 0 HB THR A 51 -15.837 -4.898 0.559 1.00 0.00 H new ATOM 0 HG1 THR A 51 -17.923 -4.495 1.639 1.00 0.00 H new ATOM 0 HG21 THR A 51 -16.781 -6.435 2.254 1.00 0.00 H new ATOM 0 HG22 THR A 51 -15.005 -6.351 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 51 -15.995 -5.485 3.537 1.00 0.00 H new ATOM 764 N LEU A 52 -12.958 -5.023 2.435 1.00 0.00 N ATOM 765 CA LEU A 52 -11.620 -5.619 2.338 1.00 0.00 C ATOM 766 C LEU A 52 -11.664 -7.130 2.588 1.00 0.00 C ATOM 767 O LEU A 52 -12.447 -7.635 3.394 1.00 0.00 O ATOM 768 CB LEU A 52 -10.731 -4.914 3.376 1.00 0.00 C ATOM 769 CG LEU A 52 -9.226 -5.011 3.089 1.00 0.00 C ATOM 770 CD1 LEU A 52 -8.888 -4.201 1.834 1.00 0.00 C ATOM 771 CD2 LEU A 52 -8.424 -4.476 4.277 1.00 0.00 C ATOM 0 H LEU A 52 -13.484 -5.293 3.266 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.218 -5.484 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.013 -3.862 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.930 -5.342 4.358 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.965 -6.057 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.819 -4.271 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.444 -4.597 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.160 -3.157 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.358 -4.551 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.686 -3.433 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.655 -5.063 5.166 1.00 0.00 H new ATOM 783 N GLU A 53 -10.733 -7.833 1.953 1.00 0.00 N ATOM 784 CA GLU A 53 -10.371 -9.187 2.414 1.00 0.00 C ATOM 785 C GLU A 53 -8.837 -9.280 2.482 1.00 0.00 C ATOM 786 O GLU A 53 -8.116 -8.390 2.025 1.00 0.00 O ATOM 787 CB GLU A 53 -10.930 -10.259 1.464 1.00 0.00 C ATOM 788 CG GLU A 53 -12.461 -10.264 1.386 1.00 0.00 C ATOM 789 CD GLU A 53 -12.956 -11.347 0.436 1.00 0.00 C ATOM 790 OE1 GLU A 53 -13.038 -11.086 -0.785 1.00 0.00 O ATOM 791 OE2 GLU A 53 -13.268 -12.463 0.904 1.00 0.00 O ATOM 0 H GLU A 53 -10.220 -7.506 1.135 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.803 -9.365 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.523 -10.097 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.587 -11.240 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.879 -10.428 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.815 -9.290 1.048 1.00 0.00 H new ATOM 798 N ASN A 54 -8.327 -10.356 3.082 1.00 0.00 N ATOM 799 CA ASN A 54 -6.885 -10.423 3.384 1.00 0.00 C ATOM 800 C ASN A 54 -6.166 -11.609 2.716 1.00 0.00 C ATOM 801 O ASN A 54 -5.417 -12.326 3.385 1.00 0.00 O ATOM 802 CB ASN A 54 -6.685 -10.467 4.906 1.00 0.00 C ATOM 803 CG ASN A 54 -7.284 -9.273 5.652 1.00 0.00 C ATOM 804 OD1 ASN A 54 -8.396 -9.330 6.175 1.00 0.00 O ATOM 805 ND2 ASN A 54 -6.552 -8.175 5.708 1.00 0.00 N ATOM 0 H ASN A 54 -8.867 -11.174 3.364 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.432 -9.525 2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.130 -11.384 5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.617 -10.516 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.906 -7.350 6.193 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.633 -8.152 5.267 1.00 0.00 H new ATOM 812 N ALA A 55 -6.384 -11.875 1.427 1.00 0.00 N ATOM 813 CA ALA A 55 -5.861 -13.136 0.861 1.00 0.00 C ATOM 814 C ALA A 55 -5.716 -13.177 -0.671 1.00 0.00 C ATOM 815 O ALA A 55 -4.599 -13.104 -1.183 1.00 0.00 O ATOM 816 CB ALA A 55 -6.695 -14.321 1.361 1.00 0.00 C ATOM 0 H ALA A 55 -6.891 -11.274 0.777 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.836 -13.204 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.302 -15.246 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.644 -14.368 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.732 -14.192 1.051 1.00 0.00 H new ATOM 822 N LYS A 56 -6.799 -13.455 -1.400 1.00 0.00 N ATOM 823 CA LYS A 56 -6.672 -13.900 -2.797 1.00 0.00 C ATOM 824 C LYS A 56 -6.925 -12.764 -3.782 1.00 0.00 C ATOM 825 O LYS A 56 -7.837 -12.808 -4.602 1.00 0.00 O ATOM 826 CB LYS A 56 -7.564 -15.111 -3.082 1.00 0.00 C ATOM 827 CG LYS A 56 -7.033 -16.321 -2.317 1.00 0.00 C ATOM 828 CD LYS A 56 -8.000 -17.508 -2.386 1.00 0.00 C ATOM 829 CE LYS A 56 -7.523 -18.702 -1.554 1.00 0.00 C ATOM 830 NZ LYS A 56 -6.289 -19.286 -2.109 1.00 0.00 N ATOM 0 H LYS A 56 -7.758 -13.383 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.639 -14.217 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.591 -14.899 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.580 -15.321 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.067 -16.615 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.867 -16.048 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.982 -17.193 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.118 -17.817 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.347 -18.384 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.305 -19.461 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.039 -20.142 -1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.441 -19.533 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.515 -18.595 -2.037 1.00 0.00 H new ATOM 844 N TYR A 57 -6.067 -11.760 -3.728 1.00 0.00 N ATOM 845 CA TYR A 57 -6.027 -10.743 -4.790 1.00 0.00 C ATOM 846 C TYR A 57 -4.725 -10.799 -5.619 1.00 0.00 C ATOM 847 O TYR A 57 -4.292 -9.735 -6.055 1.00 0.00 O ATOM 848 CB TYR A 57 -6.224 -9.303 -4.314 1.00 0.00 C ATOM 849 CG TYR A 57 -7.353 -9.073 -3.321 1.00 0.00 C ATOM 850 CD1 TYR A 57 -8.628 -9.397 -3.669 1.00 0.00 C ATOM 851 CD2 TYR A 57 -7.113 -8.454 -2.132 1.00 0.00 C ATOM 852 CE1 TYR A 57 -9.658 -9.099 -2.838 1.00 0.00 C ATOM 853 CE2 TYR A 57 -8.147 -8.142 -1.307 1.00 0.00 C ATOM 854 CZ TYR A 57 -9.418 -8.458 -1.665 1.00 0.00 C ATOM 855 OH TYR A 57 -10.467 -8.104 -0.862 1.00 0.00 O ATOM 0 H TYR A 57 -5.393 -11.619 -2.975 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.884 -11.010 -5.409 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.294 -8.962 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.402 -8.675 -5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.820 -9.893 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.101 -8.211 -1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.667 -9.371 -3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.958 -7.643 -0.368 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.273 -8.583 -1.147 1.00 0.00 H new ATOM 865 N GLU A 58 -3.989 -11.923 -5.651 1.00 0.00 N ATOM 866 CA GLU A 58 -2.540 -11.928 -6.007 1.00 0.00 C ATOM 867 C GLU A 58 -2.143 -11.438 -7.431 1.00 0.00 C ATOM 868 O GLU A 58 -1.099 -11.809 -7.970 1.00 0.00 O ATOM 869 CB GLU A 58 -1.985 -13.352 -5.816 1.00 0.00 C ATOM 870 CG GLU A 58 -2.290 -13.954 -4.437 1.00 0.00 C ATOM 871 CD GLU A 58 -1.588 -15.291 -4.233 1.00 0.00 C ATOM 872 OE1 GLU A 58 -1.875 -16.247 -4.987 1.00 0.00 O ATOM 873 OE2 GLU A 58 -0.747 -15.394 -3.315 1.00 0.00 O ATOM 0 H GLU A 58 -4.365 -12.847 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.106 -11.188 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.402 -14.001 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.905 -13.334 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.977 -13.257 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.366 -14.089 -4.330 1.00 0.00 H new ATOM 880 N THR A 59 -2.910 -10.500 -7.974 1.00 0.00 N ATOM 881 CA THR A 59 -2.484 -9.680 -9.122 1.00 0.00 C ATOM 882 C THR A 59 -2.877 -8.239 -8.823 1.00 0.00 C ATOM 883 O THR A 59 -4.044 -7.903 -8.625 1.00 0.00 O ATOM 884 CB THR A 59 -3.036 -10.147 -10.478 1.00 0.00 C ATOM 885 OG1 THR A 59 -2.568 -9.281 -11.503 1.00 0.00 O ATOM 886 CG2 THR A 59 -4.552 -10.258 -10.580 1.00 0.00 C ATOM 0 H THR A 59 -3.847 -10.280 -7.637 1.00 0.00 H new ATOM 0 HA THR A 59 -1.404 -9.782 -9.233 1.00 0.00 H new ATOM 0 HB THR A 59 -2.665 -11.165 -10.592 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.918 -9.579 -12.368 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.826 -10.595 -11.580 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.915 -10.975 -9.843 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.002 -9.283 -10.390 1.00 0.00 H new ATOM 894 N VAL A 60 -1.855 -7.410 -8.693 1.00 0.00 N ATOM 895 CA VAL A 60 -2.025 -6.087 -8.092 1.00 0.00 C ATOM 896 C VAL A 60 -1.717 -5.059 -9.179 1.00 0.00 C ATOM 897 O VAL A 60 -0.577 -4.929 -9.626 1.00 0.00 O ATOM 898 CB VAL A 60 -1.054 -5.979 -6.911 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.058 -4.593 -6.290 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.380 -6.998 -5.828 1.00 0.00 C ATOM 0 H VAL A 60 -0.903 -7.622 -8.992 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.035 -5.916 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.063 -6.180 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.355 -4.565 -5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.763 -3.858 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.059 -4.360 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.672 -6.894 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.392 -6.827 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.310 -8.004 -6.242 1.00 0.00 H new ATOM 910 N HIS A 61 -2.744 -4.359 -9.633 1.00 0.00 N ATOM 911 CA HIS A 61 -2.536 -3.334 -10.666 1.00 0.00 C ATOM 912 C HIS A 61 -2.670 -1.960 -9.997 1.00 0.00 C ATOM 913 O HIS A 61 -3.646 -1.734 -9.284 1.00 0.00 O ATOM 914 CB HIS A 61 -3.592 -3.551 -11.788 1.00 0.00 C ATOM 915 CG HIS A 61 -2.945 -4.160 -13.016 1.00 0.00 C ATOM 916 ND1 HIS A 61 -3.125 -5.471 -13.434 1.00 0.00 N ATOM 917 CD2 HIS A 61 -1.943 -3.532 -13.746 1.00 0.00 C ATOM 918 CE1 HIS A 61 -2.179 -5.497 -14.430 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.439 -4.381 -14.708 1.00 0.00 N ATOM 0 H HIS A 61 -3.708 -4.470 -9.319 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.548 -3.398 -11.121 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.386 -4.204 -11.427 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.056 -2.599 -12.048 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.764 -6.194 -13.103 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.606 -2.519 -13.582 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -2.019 -6.403 -14.996 1.00 0.00 H new ATOM 927 N TYR A 62 -1.768 -1.000 -10.262 1.00 0.00 N ATOM 928 CA TYR A 62 -2.104 0.401 -9.932 1.00 0.00 C ATOM 929 C TYR A 62 -2.218 1.147 -11.268 1.00 0.00 C ATOM 930 O TYR A 62 -1.399 0.996 -12.176 1.00 0.00 O ATOM 931 CB TYR A 62 -1.078 1.016 -8.946 1.00 0.00 C ATOM 932 CG TYR A 62 -1.561 2.028 -7.914 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.427 3.030 -8.217 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.011 1.975 -6.670 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.783 3.940 -7.272 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.344 2.901 -5.733 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.233 3.880 -6.033 1.00 0.00 C ATOM 938 OH TYR A 62 -2.555 4.826 -5.097 1.00 0.00 O ATOM 0 H TYR A 62 -0.850 -1.150 -10.680 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.052 0.477 -9.399 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.607 0.195 -8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.299 1.496 -9.538 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.835 3.104 -9.214 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.307 1.193 -6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.503 4.710 -7.507 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.901 2.857 -4.749 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.188 5.467 -5.484 1.00 0.00 H new ATOM 948 N LEU A 63 -3.186 2.054 -11.316 1.00 0.00 N ATOM 949 CA LEU A 63 -3.334 3.007 -12.414 1.00 0.00 C ATOM 950 C LEU A 63 -3.275 4.407 -11.794 1.00 0.00 C ATOM 951 O LEU A 63 -4.247 4.877 -11.201 1.00 0.00 O ATOM 952 CB LEU A 63 -4.730 2.730 -13.005 1.00 0.00 C ATOM 953 CG LEU A 63 -4.765 1.783 -14.210 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.175 0.399 -13.932 1.00 0.00 C ATOM 955 CD2 LEU A 63 -6.229 1.627 -14.609 1.00 0.00 C ATOM 0 H LEU A 63 -3.896 2.151 -10.590 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.569 2.925 -13.186 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.361 2.313 -12.220 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.175 3.680 -13.300 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.150 2.217 -14.998 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.237 -0.211 -14.833 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.131 0.501 -13.634 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.736 -0.081 -13.130 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.303 0.958 -15.467 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.791 1.210 -13.774 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.640 2.602 -14.872 1.00 0.00 H new ATOM 967 N THR A 64 -2.151 5.096 -11.958 1.00 0.00 N ATOM 968 CA THR A 64 -2.089 6.516 -11.583 1.00 0.00 C ATOM 969 C THR A 64 -1.198 7.263 -12.592 1.00 0.00 C ATOM 970 O THR A 64 -0.010 6.955 -12.692 1.00 0.00 O ATOM 971 CB THR A 64 -1.519 6.685 -10.169 1.00 0.00 C ATOM 972 OG1 THR A 64 -2.312 5.954 -9.251 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.581 8.158 -9.768 1.00 0.00 C ATOM 0 H THR A 64 -1.286 4.712 -12.338 1.00 0.00 H new ATOM 0 HA THR A 64 -3.098 6.928 -11.596 1.00 0.00 H new ATOM 0 HB THR A 64 -0.489 6.327 -10.157 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.863 5.112 -9.029 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.176 8.279 -8.763 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.994 8.751 -10.469 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.617 8.496 -9.785 1.00 0.00 H new ATOM 981 N PRO A 65 -1.702 8.273 -13.315 1.00 0.00 N ATOM 982 CA PRO A 65 -0.856 9.157 -14.132 1.00 0.00 C ATOM 983 C PRO A 65 0.286 9.814 -13.342 1.00 0.00 C ATOM 984 O PRO A 65 0.074 10.382 -12.269 1.00 0.00 O ATOM 985 CB PRO A 65 -1.858 10.216 -14.604 1.00 0.00 C ATOM 986 CG PRO A 65 -3.226 9.540 -14.522 1.00 0.00 C ATOM 987 CD PRO A 65 -3.124 8.612 -13.319 1.00 0.00 C ATOM 0 HA PRO A 65 -0.348 8.615 -14.929 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.819 11.104 -13.973 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.639 10.539 -15.622 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.023 10.272 -14.391 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.449 8.985 -15.433 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.428 9.106 -12.396 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.753 7.729 -13.430 1.00 0.00 H new ATOM 995 N GLU A 66 1.508 9.703 -13.858 1.00 0.00 N ATOM 996 CA GLU A 66 2.692 10.110 -13.074 1.00 0.00 C ATOM 997 C GLU A 66 3.267 11.470 -13.520 1.00 0.00 C ATOM 998 O GLU A 66 4.475 11.698 -13.426 1.00 0.00 O ATOM 999 CB GLU A 66 3.768 9.013 -13.186 1.00 0.00 C ATOM 1000 CG GLU A 66 3.350 7.655 -12.601 1.00 0.00 C ATOM 1001 CD GLU A 66 3.111 7.718 -11.095 1.00 0.00 C ATOM 1002 OE1 GLU A 66 4.089 7.601 -10.325 1.00 0.00 O ATOM 1003 OE2 GLU A 66 1.945 7.882 -10.676 1.00 0.00 O ATOM 0 H GLU A 66 1.712 9.345 -14.791 1.00 0.00 H new ATOM 0 HA GLU A 66 2.379 10.233 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.026 8.879 -14.237 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.670 9.352 -12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.441 7.314 -13.096 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.124 6.918 -12.813 1.00 0.00 H new ATOM 1010 N ALA A 67 2.428 12.375 -14.025 1.00 0.00 N ATOM 1011 CA ALA A 67 2.937 13.601 -14.663 1.00 0.00 C ATOM 1012 C ALA A 67 2.628 14.856 -13.838 1.00 0.00 C ATOM 1013 O ALA A 67 3.523 15.654 -13.560 1.00 0.00 O ATOM 1014 CB ALA A 67 2.335 13.710 -16.068 1.00 0.00 C ATOM 0 H ALA A 67 1.412 12.291 -14.009 1.00 0.00 H new ATOM 0 HA ALA A 67 4.023 13.535 -14.726 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.704 14.614 -16.553 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.624 12.839 -16.656 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.248 13.754 -15.996 1.00 0.00 H new ATOM 1020 N GLN A 68 1.361 15.064 -13.479 1.00 0.00 N ATOM 1021 CA GLN A 68 0.952 16.346 -12.881 1.00 0.00 C ATOM 1022 C GLN A 68 1.297 16.448 -11.387 1.00 0.00 C ATOM 1023 O GLN A 68 1.880 17.442 -10.952 1.00 0.00 O ATOM 1024 CB GLN A 68 -0.558 16.557 -13.082 1.00 0.00 C ATOM 1025 CG GLN A 68 -0.945 16.692 -14.560 1.00 0.00 C ATOM 1026 CD GLN A 68 -2.446 16.906 -14.724 1.00 0.00 C ATOM 1027 OE1 GLN A 68 -3.233 15.959 -14.735 1.00 0.00 O ATOM 1028 NE2 GLN A 68 -2.865 18.152 -14.859 1.00 0.00 N ATOM 0 H GLN A 68 0.611 14.381 -13.586 1.00 0.00 H new ATOM 0 HA GLN A 68 1.514 17.128 -13.391 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.099 15.718 -12.644 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.870 17.453 -12.546 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.406 17.529 -15.004 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.642 15.795 -15.100 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.194 18.920 -14.847 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.860 18.346 -14.975 1.00 0.00 H new ATOM 1037 N THR A 69 0.984 15.418 -10.601 1.00 0.00 N ATOM 1038 CA THR A 69 1.471 15.358 -9.212 1.00 0.00 C ATOM 1039 C THR A 69 2.981 15.089 -9.151 1.00 0.00 C ATOM 1040 O THR A 69 3.540 14.364 -9.976 1.00 0.00 O ATOM 1041 CB THR A 69 0.716 14.266 -8.433 1.00 0.00 C ATOM 1042 OG1 THR A 69 0.882 13.005 -9.072 1.00 0.00 O ATOM 1043 CG2 THR A 69 -0.781 14.568 -8.310 1.00 0.00 C ATOM 0 H THR A 69 0.408 14.627 -10.889 1.00 0.00 H new ATOM 0 HA THR A 69 1.284 16.330 -8.755 1.00 0.00 H new ATOM 0 HB THR A 69 1.140 14.242 -7.429 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.400 12.317 -8.568 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.269 13.768 -7.753 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.920 15.513 -7.785 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.221 14.638 -9.305 1.00 0.00 H new ATOM 1051 N ASP A 70 3.628 15.640 -8.124 1.00 0.00 N ATOM 1052 CA ASP A 70 5.030 15.273 -7.842 1.00 0.00 C ATOM 1053 C ASP A 70 5.013 13.964 -7.037 1.00 0.00 C ATOM 1054 O ASP A 70 4.742 12.908 -7.613 1.00 0.00 O ATOM 1055 CB ASP A 70 5.831 16.414 -7.178 1.00 0.00 C ATOM 1056 CG ASP A 70 5.810 17.705 -7.992 1.00 0.00 C ATOM 1057 OD1 ASP A 70 6.577 17.811 -8.974 1.00 0.00 O ATOM 1058 OD2 ASP A 70 5.028 18.619 -7.652 1.00 0.00 O ATOM 0 H ASP A 70 3.224 16.324 -7.485 1.00 0.00 H new ATOM 0 HA ASP A 70 5.570 15.107 -8.774 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.423 16.609 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.864 16.094 -7.040 1.00 0.00 H new ATOM 1063 N ILE A 71 5.329 13.980 -5.739 1.00 0.00 N ATOM 1064 CA ILE A 71 5.519 12.704 -5.024 1.00 0.00 C ATOM 1065 C ILE A 71 4.163 12.244 -4.471 1.00 0.00 C ATOM 1066 O ILE A 71 3.258 13.040 -4.207 1.00 0.00 O ATOM 1067 CB ILE A 71 6.638 12.767 -3.960 1.00 0.00 C ATOM 1068 CG1 ILE A 71 6.478 13.862 -2.888 1.00 0.00 C ATOM 1069 CG2 ILE A 71 7.989 12.963 -4.660 1.00 0.00 C ATOM 1070 CD1 ILE A 71 5.458 13.521 -1.798 1.00 0.00 C ATOM 0 H ILE A 71 5.456 14.821 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 71 5.877 11.950 -5.725 1.00 0.00 H new ATOM 0 HB ILE A 71 6.575 11.819 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.446 14.044 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.179 14.791 -3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.782 13.008 -3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.173 12.128 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.973 13.893 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.403 14.341 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.478 13.369 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.765 12.610 -1.284 1.00 0.00 H new ATOM 1082 N LYS A 72 4.022 10.927 -4.382 1.00 0.00 N ATOM 1083 CA LYS A 72 2.668 10.346 -4.167 1.00 0.00 C ATOM 1084 C LYS A 72 2.471 9.386 -2.960 1.00 0.00 C ATOM 1085 O LYS A 72 2.010 9.829 -1.908 1.00 0.00 O ATOM 1086 CB LYS A 72 2.091 9.800 -5.490 1.00 0.00 C ATOM 1087 CG LYS A 72 0.571 9.604 -5.362 1.00 0.00 C ATOM 1088 CD LYS A 72 0.025 8.638 -6.414 1.00 0.00 C ATOM 1089 CE LYS A 72 -1.435 8.269 -6.127 1.00 0.00 C ATOM 1090 NZ LYS A 72 -2.323 9.435 -6.274 1.00 0.00 N ATOM 0 H LYS A 72 4.783 10.251 -4.450 1.00 0.00 H new ATOM 0 HA LYS A 72 2.070 11.196 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.309 10.491 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.568 8.852 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.337 9.226 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.072 10.568 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.100 9.092 -7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.634 7.734 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.753 7.480 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.519 7.871 -5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.275 9.115 -6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.375 9.948 -5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.948 10.067 -7.010 1.00 0.00 H new ATOM 1104 N PHE A 73 2.526 8.064 -3.181 1.00 0.00 N ATOM 1105 CA PHE A 73 1.840 7.103 -2.288 1.00 0.00 C ATOM 1106 C PHE A 73 2.576 6.932 -0.955 1.00 0.00 C ATOM 1107 O PHE A 73 3.808 6.961 -0.924 1.00 0.00 O ATOM 1108 CB PHE A 73 1.767 5.774 -3.091 1.00 0.00 C ATOM 1109 CG PHE A 73 1.056 4.570 -2.506 1.00 0.00 C ATOM 1110 CD1 PHE A 73 -0.222 4.677 -2.057 1.00 0.00 C ATOM 1111 CD2 PHE A 73 1.606 3.334 -2.677 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.932 3.566 -1.749 1.00 0.00 C ATOM 1113 CE2 PHE A 73 0.880 2.224 -2.397 1.00 0.00 C ATOM 1114 CZ PHE A 73 -0.368 2.343 -1.889 1.00 0.00 C ATOM 0 H PHE A 73 3.029 7.635 -3.957 1.00 0.00 H new ATOM 0 HA PHE A 73 0.846 7.455 -2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.291 5.998 -4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.791 5.471 -3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.673 5.652 -1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.620 3.239 -3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.947 3.655 -1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.298 1.245 -2.579 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.916 1.460 -1.594 1.00 0.00 H new ATOM 1124 N PRO A 74 1.868 6.651 0.152 1.00 0.00 N ATOM 1125 CA PRO A 74 2.530 6.451 1.442 1.00 0.00 C ATOM 1126 C PRO A 74 3.073 5.028 1.581 1.00 0.00 C ATOM 1127 O PRO A 74 2.512 4.071 1.042 1.00 0.00 O ATOM 1128 CB PRO A 74 1.410 6.722 2.449 1.00 0.00 C ATOM 1129 CG PRO A 74 0.309 7.449 1.694 1.00 0.00 C ATOM 1130 CD PRO A 74 0.426 6.916 0.278 1.00 0.00 C ATOM 0 HA PRO A 74 3.398 7.096 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.037 5.790 2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.774 7.327 3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.673 7.241 2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.448 8.530 1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.166 6.012 0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.082 7.642 -0.458 1.00 0.00 H new ATOM 1138 N LYS A 75 4.156 4.882 2.336 1.00 0.00 N ATOM 1139 CA LYS A 75 4.653 3.532 2.662 1.00 0.00 C ATOM 1140 C LYS A 75 3.656 2.676 3.480 1.00 0.00 C ATOM 1141 O LYS A 75 3.595 1.453 3.328 1.00 0.00 O ATOM 1142 CB LYS A 75 6.027 3.623 3.349 1.00 0.00 C ATOM 1143 CG LYS A 75 6.010 4.328 4.713 1.00 0.00 C ATOM 1144 CD LYS A 75 7.414 4.396 5.316 1.00 0.00 C ATOM 1145 CE LYS A 75 7.395 5.089 6.681 1.00 0.00 C ATOM 1146 NZ LYS A 75 8.751 5.139 7.245 1.00 0.00 N ATOM 0 H LYS A 75 4.700 5.651 2.728 1.00 0.00 H new ATOM 0 HA LYS A 75 4.764 3.003 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.422 2.615 3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.715 4.152 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.610 5.336 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.345 3.796 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.817 3.389 5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.078 4.935 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.999 6.099 6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.731 4.553 7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.725 5.612 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.115 4.172 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.374 5.669 6.603 1.00 0.00 H new ATOM 1160 N LYS A 76 2.876 3.307 4.360 1.00 0.00 N ATOM 1161 CA LYS A 76 1.920 2.564 5.206 1.00 0.00 C ATOM 1162 C LYS A 76 0.785 1.895 4.411 1.00 0.00 C ATOM 1163 O LYS A 76 0.312 0.823 4.796 1.00 0.00 O ATOM 1164 CB LYS A 76 1.324 3.504 6.265 1.00 0.00 C ATOM 1165 CG LYS A 76 2.377 4.016 7.254 1.00 0.00 C ATOM 1166 CD LYS A 76 1.747 4.911 8.325 1.00 0.00 C ATOM 1167 CE LYS A 76 2.803 5.415 9.310 1.00 0.00 C ATOM 1168 NZ LYS A 76 2.178 6.268 10.334 1.00 0.00 N ATOM 0 H LYS A 76 2.881 4.316 4.510 1.00 0.00 H new ATOM 0 HA LYS A 76 2.485 1.761 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.853 4.353 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.541 2.980 6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.873 3.170 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.143 4.574 6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.253 5.759 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.979 4.355 8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.301 4.569 9.785 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.569 5.977 8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.905 6.604 10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.723 7.084 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.463 5.720 10.853 1.00 0.00 H new ATOM 1182 N LEU A 77 0.379 2.473 3.283 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.648 1.814 2.448 1.00 0.00 C ATOM 1184 C LEU A 77 -0.045 0.641 1.644 1.00 0.00 C ATOM 1185 O LEU A 77 -0.736 -0.351 1.419 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.386 2.775 1.497 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.109 3.943 2.173 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.951 4.725 1.156 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.020 3.494 3.321 1.00 0.00 C ATOM 0 H LEU A 77 0.724 3.364 2.927 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.390 1.434 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.666 3.179 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.115 2.202 0.923 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.327 4.580 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.455 5.550 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.303 5.119 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.694 4.062 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.506 4.365 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.778 2.811 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.425 2.987 4.081 1.00 0.00 H new ATOM 1201 N ILE A 78 1.237 0.686 1.265 1.00 0.00 N ATOM 1202 CA ILE A 78 1.933 -0.505 0.763 1.00 0.00 C ATOM 1203 C ILE A 78 1.982 -1.620 1.836 1.00 0.00 C ATOM 1204 O ILE A 78 1.847 -2.794 1.485 1.00 0.00 O ATOM 1205 CB ILE A 78 3.331 -0.021 0.320 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.329 0.957 -0.861 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.257 -1.198 0.041 1.00 0.00 C ATOM 1208 CD1 ILE A 78 4.700 1.575 -1.151 1.00 0.00 C ATOM 0 H ILE A 78 1.811 1.529 1.296 1.00 0.00 H new ATOM 0 HA ILE A 78 1.412 -0.960 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 78 3.711 0.549 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.979 0.436 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.616 1.756 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.234 -0.827 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.366 -1.797 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.834 -1.813 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.620 2.255 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.044 2.125 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.413 0.785 -1.386 1.00 0.00 H new ATOM 1220 N SER A 79 2.149 -1.302 3.129 1.00 0.00 N ATOM 1221 CA SER A 79 2.060 -2.345 4.169 1.00 0.00 C ATOM 1222 C SER A 79 0.656 -2.970 4.256 1.00 0.00 C ATOM 1223 O SER A 79 0.526 -4.188 4.393 1.00 0.00 O ATOM 1224 CB SER A 79 2.456 -1.755 5.527 1.00 0.00 C ATOM 1225 OG SER A 79 3.778 -1.235 5.479 1.00 0.00 O ATOM 0 H SER A 79 2.341 -0.362 3.475 1.00 0.00 H new ATOM 0 HA SER A 79 2.750 -3.142 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.758 -0.965 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.389 -2.523 6.297 1.00 0.00 H new ATOM 0 HG SER A 79 4.014 -0.861 6.353 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.391 -2.153 4.151 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.773 -2.675 4.102 1.00 0.00 C ATOM 1233 C VAL A 80 -1.999 -3.616 2.899 1.00 0.00 C ATOM 1234 O VAL A 80 -2.607 -4.675 3.058 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.779 -1.502 4.115 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.230 -1.980 3.974 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.679 -0.699 5.418 1.00 0.00 C ATOM 0 H VAL A 80 -0.320 -1.137 4.098 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.939 -3.282 4.992 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.517 -0.878 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.899 -1.120 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.347 -2.515 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.476 -2.645 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.399 0.119 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.895 -1.351 6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.672 -0.294 5.519 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.509 -3.268 1.706 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.590 -4.192 0.563 1.00 0.00 C ATOM 1249 C LEU A 81 -0.796 -5.490 0.785 1.00 0.00 C ATOM 1250 O LEU A 81 -1.247 -6.561 0.380 1.00 0.00 O ATOM 1251 CB LEU A 81 -1.062 -3.497 -0.700 1.00 0.00 C ATOM 1252 CG LEU A 81 -2.124 -2.700 -1.470 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -2.505 -1.401 -0.760 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -1.575 -2.361 -2.856 1.00 0.00 C ATOM 0 H LEU A 81 -1.061 -2.374 1.505 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.640 -4.463 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.252 -2.824 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.636 -4.249 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.020 -3.317 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.259 -0.874 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.906 -1.630 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.622 -0.771 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.320 -1.794 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.668 -1.765 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.344 -3.282 -3.391 1.00 0.00 H new ATOM 1266 N ALA A 82 0.371 -5.416 1.425 1.00 0.00 N ATOM 1267 CA ALA A 82 1.110 -6.634 1.779 1.00 0.00 C ATOM 1268 C ALA A 82 0.333 -7.553 2.745 1.00 0.00 C ATOM 1269 O ALA A 82 0.518 -8.771 2.726 1.00 0.00 O ATOM 1270 CB ALA A 82 2.468 -6.223 2.354 1.00 0.00 C ATOM 0 H ALA A 82 0.821 -4.545 1.706 1.00 0.00 H new ATOM 0 HA ALA A 82 1.252 -7.230 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.034 -7.115 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.022 -5.654 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.316 -5.607 3.241 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.523 -6.990 3.597 1.00 0.00 N ATOM 1277 CA ASP A 83 -1.277 -7.813 4.569 1.00 0.00 C ATOM 1278 C ASP A 83 -2.398 -8.687 3.977 1.00 0.00 C ATOM 1279 O ASP A 83 -2.943 -9.557 4.660 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.854 -6.922 5.680 1.00 0.00 C ATOM 1281 CG ASP A 83 -0.788 -6.222 6.519 1.00 0.00 C ATOM 1282 OD1 ASP A 83 0.177 -6.890 6.955 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -0.913 -5.001 6.753 1.00 0.00 O ATOM 0 H ASP A 83 -0.716 -5.990 3.643 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.542 -8.516 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.502 -6.170 5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.478 -7.530 6.335 1.00 0.00 H new ATOM 1288 N SER A 84 -2.729 -8.474 2.713 1.00 0.00 N ATOM 1289 CA SER A 84 -3.738 -9.285 2.022 1.00 0.00 C ATOM 1290 C SER A 84 -3.154 -10.316 1.035 1.00 0.00 C ATOM 1291 O SER A 84 -3.885 -10.868 0.213 1.00 0.00 O ATOM 1292 CB SER A 84 -4.627 -8.296 1.261 1.00 0.00 C ATOM 1293 OG SER A 84 -3.871 -7.516 0.345 1.00 0.00 O ATOM 0 H SER A 84 -2.314 -7.743 2.135 1.00 0.00 H new ATOM 0 HA SER A 84 -4.279 -9.874 2.763 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.402 -8.841 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.132 -7.639 1.969 1.00 0.00 H new ATOM 0 HG SER A 84 -4.466 -6.896 -0.126 1.00 0.00 H new ATOM 1299 N LEU A 85 -1.845 -10.543 1.063 1.00 0.00 N ATOM 1300 CA LEU A 85 -1.168 -11.254 -0.020 1.00 0.00 C ATOM 1301 C LEU A 85 -0.215 -12.307 0.555 1.00 0.00 C ATOM 1302 O LEU A 85 0.892 -11.981 0.990 1.00 0.00 O ATOM 1303 CB LEU A 85 -0.413 -10.262 -0.905 1.00 0.00 C ATOM 1304 CG LEU A 85 -1.280 -9.217 -1.626 1.00 0.00 C ATOM 1305 CD1 LEU A 85 -0.375 -8.204 -2.332 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -2.212 -9.868 -2.650 1.00 0.00 C ATOM 0 H LEU A 85 -1.231 -10.246 1.822 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.912 -11.764 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.318 -9.738 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.145 -10.824 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.896 -8.716 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.989 -7.463 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.257 -7.707 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.251 -8.721 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.809 -9.099 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.620 -10.397 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.872 -10.573 -2.145 1.00 0.00 H new ATOM 1318 N LYS A 86 -0.621 -13.573 0.549 1.00 0.00 N ATOM 1319 CA LYS A 86 0.313 -14.659 0.891 1.00 0.00 C ATOM 1320 C LYS A 86 1.306 -14.887 -0.295 1.00 0.00 C ATOM 1321 O LYS A 86 1.637 -13.904 -0.960 1.00 0.00 O ATOM 1322 CB LYS A 86 -0.560 -15.825 1.407 1.00 0.00 C ATOM 1323 CG LYS A 86 -1.580 -15.421 2.486 1.00 0.00 C ATOM 1324 CD LYS A 86 -2.310 -16.644 3.056 1.00 0.00 C ATOM 1325 CE LYS A 86 -3.262 -16.280 4.200 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.383 -15.451 3.728 1.00 0.00 N ATOM 0 H LYS A 86 -1.567 -13.876 0.318 1.00 0.00 H new ATOM 0 HA LYS A 86 1.011 -14.457 1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.094 -16.264 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.091 -16.600 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.069 -14.893 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.306 -14.728 2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.874 -17.130 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.577 -17.366 3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.649 -17.191 4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.713 -15.744 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.025 -15.252 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.016 -14.556 3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.901 -15.959 2.983 1.00 0.00 H new ATOM 1340 N PRO A 87 2.012 -16.017 -0.464 1.00 0.00 N ATOM 1341 CA PRO A 87 3.276 -16.050 -1.227 1.00 0.00 C ATOM 1342 C PRO A 87 3.335 -15.516 -2.669 1.00 0.00 C ATOM 1343 O PRO A 87 4.338 -14.893 -3.016 1.00 0.00 O ATOM 1344 CB PRO A 87 3.762 -17.498 -1.076 1.00 0.00 C ATOM 1345 CG PRO A 87 2.601 -18.268 -0.446 1.00 0.00 C ATOM 1346 CD PRO A 87 1.805 -17.222 0.328 1.00 0.00 C ATOM 0 HA PRO A 87 3.936 -15.294 -0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.032 -17.922 -2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.651 -17.548 -0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.986 -18.747 -1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.963 -19.056 0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.750 -17.485 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.172 -17.105 1.348 1.00 0.00 H new ATOM 1354 N ASN A 88 2.366 -15.776 -3.544 1.00 0.00 N ATOM 1355 CA ASN A 88 2.558 -15.429 -4.973 1.00 0.00 C ATOM 1356 C ASN A 88 1.803 -14.139 -5.331 1.00 0.00 C ATOM 1357 O ASN A 88 1.221 -14.022 -6.411 1.00 0.00 O ATOM 1358 CB ASN A 88 2.168 -16.589 -5.913 1.00 0.00 C ATOM 1359 CG ASN A 88 2.905 -17.892 -5.599 1.00 0.00 C ATOM 1360 OD1 ASN A 88 2.359 -18.809 -4.988 1.00 0.00 O ATOM 1361 ND2 ASN A 88 4.156 -17.986 -6.014 1.00 0.00 N ATOM 0 H ASN A 88 1.471 -16.208 -3.315 1.00 0.00 H new ATOM 0 HA ASN A 88 3.623 -15.251 -5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.094 -16.760 -5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.377 -16.300 -6.943 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.692 -18.834 -5.830 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.585 -17.211 -6.519 1.00 0.00 H new ATOM 1368 N GLY A 89 1.887 -13.137 -4.457 1.00 0.00 N ATOM 1369 CA GLY A 89 1.446 -11.783 -4.815 1.00 0.00 C ATOM 1370 C GLY A 89 2.359 -11.221 -5.885 1.00 0.00 C ATOM 1371 O GLY A 89 3.571 -11.396 -5.775 1.00 0.00 O ATOM 0 H GLY A 89 2.250 -13.231 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.418 -11.807 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.460 -11.140 -3.935 1.00 0.00 H new ATOM 1375 N SER A 90 1.843 -10.510 -6.880 1.00 0.00 N ATOM 1376 CA SER A 90 2.777 -9.753 -7.707 1.00 0.00 C ATOM 1377 C SER A 90 2.132 -8.397 -7.978 1.00 0.00 C ATOM 1378 O SER A 90 0.922 -8.187 -7.911 1.00 0.00 O ATOM 1379 CB SER A 90 3.067 -10.550 -8.981 1.00 0.00 C ATOM 1380 OG SER A 90 3.935 -9.829 -9.845 1.00 0.00 O ATOM 0 H SER A 90 0.855 -10.440 -7.125 1.00 0.00 H new ATOM 0 HA SER A 90 3.738 -9.587 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.519 -11.507 -8.721 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.133 -10.769 -9.498 1.00 0.00 H new ATOM 0 HG SER A 90 4.108 -10.358 -10.651 1.00 0.00 H new ATOM 1386 N LEU A 91 3.028 -7.494 -8.302 1.00 0.00 N ATOM 1387 CA LEU A 91 2.724 -6.073 -8.234 1.00 0.00 C ATOM 1388 C LEU A 91 3.077 -5.348 -9.533 1.00 0.00 C ATOM 1389 O LEU A 91 4.264 -5.184 -9.815 1.00 0.00 O ATOM 1390 CB LEU A 91 3.555 -5.507 -7.070 1.00 0.00 C ATOM 1391 CG LEU A 91 3.017 -4.142 -6.667 1.00 0.00 C ATOM 1392 CD1 LEU A 91 2.862 -4.000 -5.153 1.00 0.00 C ATOM 1393 CD2 LEU A 91 3.946 -3.057 -7.208 1.00 0.00 C ATOM 0 H LEU A 91 3.974 -7.712 -8.616 1.00 0.00 H new ATOM 0 HA LEU A 91 1.655 -5.926 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.518 -6.188 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.601 -5.423 -7.365 1.00 0.00 H new ATOM 0 HG LEU A 91 2.021 -4.033 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.475 -3.008 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.168 -4.756 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.832 -4.134 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.565 -2.076 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.945 -3.193 -6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.992 -3.126 -8.295 1.00 0.00 H new ATOM 1405 N ILE A 92 2.124 -4.968 -10.372 1.00 0.00 N ATOM 1406 CA ILE A 92 2.492 -4.461 -11.700 1.00 0.00 C ATOM 1407 C ILE A 92 2.244 -2.957 -11.592 1.00 0.00 C ATOM 1408 O ILE A 92 1.148 -2.456 -11.869 1.00 0.00 O ATOM 1409 CB ILE A 92 1.633 -5.089 -12.809 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.857 -6.599 -13.006 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.878 -4.397 -14.154 1.00 0.00 C ATOM 1412 CD1 ILE A 92 1.228 -7.475 -11.922 1.00 0.00 C ATOM 0 H ILE A 92 1.124 -4.996 -10.175 1.00 0.00 H new ATOM 0 HA ILE A 92 3.520 -4.705 -11.968 1.00 0.00 H new ATOM 0 HB ILE A 92 0.607 -4.946 -12.472 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.451 -6.891 -13.974 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.929 -6.794 -13.038 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.258 -4.861 -14.920 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.623 -3.341 -14.071 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.928 -4.496 -14.428 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.433 -8.524 -12.137 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.651 -7.214 -10.952 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.150 -7.313 -11.903 1.00 0.00 H new ATOM 1424 N GLY A 93 3.226 -2.275 -11.017 1.00 0.00 N ATOM 1425 CA GLY A 93 2.889 -0.995 -10.392 1.00 0.00 C ATOM 1426 C GLY A 93 3.863 0.181 -10.452 1.00 0.00 C ATOM 1427 O GLY A 93 3.664 1.125 -11.219 1.00 0.00 O ATOM 0 H GLY A 93 4.204 -2.559 -10.967 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.952 -0.658 -10.835 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.691 -1.194 -9.339 1.00 0.00 H new ATOM 1431 N LEU A 94 4.837 0.197 -9.549 1.00 0.00 N ATOM 1432 CA LEU A 94 5.357 1.478 -9.037 1.00 0.00 C ATOM 1433 C LEU A 94 6.836 1.620 -9.444 1.00 0.00 C ATOM 1434 O LEU A 94 7.430 0.716 -10.032 1.00 0.00 O ATOM 1435 CB LEU A 94 5.230 1.451 -7.498 1.00 0.00 C ATOM 1436 CG LEU A 94 3.831 1.294 -6.860 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.876 0.283 -5.711 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.372 2.592 -6.223 1.00 0.00 C ATOM 0 H LEU A 94 5.279 -0.635 -9.159 1.00 0.00 H new ATOM 0 HA LEU A 94 4.800 2.321 -9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.851 0.634 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.663 2.376 -7.117 1.00 0.00 H new ATOM 0 HG LEU A 94 3.162 0.980 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.882 0.185 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.202 -0.685 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.575 0.628 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.385 2.452 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.078 2.886 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.323 3.372 -6.982 1.00 0.00 H new ATOM 1450 N SER A 95 7.409 2.803 -9.230 1.00 0.00 N ATOM 1451 CA SER A 95 8.609 3.203 -9.996 1.00 0.00 C ATOM 1452 C SER A 95 9.895 3.249 -9.144 1.00 0.00 C ATOM 1453 O SER A 95 10.185 2.307 -8.405 1.00 0.00 O ATOM 1454 CB SER A 95 8.281 4.510 -10.740 1.00 0.00 C ATOM 1455 OG SER A 95 7.998 5.560 -9.823 1.00 0.00 O ATOM 0 H SER A 95 7.080 3.492 -8.553 1.00 0.00 H new ATOM 0 HA SER A 95 8.850 2.438 -10.734 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.121 4.793 -11.374 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.425 4.354 -11.396 1.00 0.00 H new ATOM 0 HG SER A 95 7.871 5.186 -8.926 1.00 0.00 H new ATOM 1461 N ASP A 96 10.716 4.293 -9.301 1.00 0.00 N ATOM 1462 CA ASP A 96 12.123 4.222 -8.858 1.00 0.00 C ATOM 1463 C ASP A 96 12.356 4.370 -7.348 1.00 0.00 C ATOM 1464 O ASP A 96 13.078 3.559 -6.769 1.00 0.00 O ATOM 1465 CB ASP A 96 12.962 5.262 -9.617 1.00 0.00 C ATOM 1466 CG ASP A 96 13.000 5.011 -11.122 1.00 0.00 C ATOM 1467 OD1 ASP A 96 13.794 4.155 -11.571 1.00 0.00 O ATOM 1468 OD2 ASP A 96 12.237 5.668 -11.864 1.00 0.00 O ATOM 0 H ASP A 96 10.444 5.182 -9.722 1.00 0.00 H new ATOM 0 HA ASP A 96 12.439 3.205 -9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.556 6.256 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.980 5.255 -9.227 1.00 0.00 H new ATOM 1473 N ILE A 97 11.762 5.362 -6.685 1.00 0.00 N ATOM 1474 CA ILE A 97 11.828 5.404 -5.195 1.00 0.00 C ATOM 1475 C ILE A 97 11.178 4.148 -4.570 1.00 0.00 C ATOM 1476 O ILE A 97 11.526 3.642 -3.491 1.00 0.00 O ATOM 1477 CB ILE A 97 11.127 6.660 -4.617 1.00 0.00 C ATOM 1478 CG1 ILE A 97 11.346 7.894 -5.502 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.608 6.908 -3.181 1.00 0.00 C ATOM 1480 CD1 ILE A 97 10.718 9.178 -4.956 1.00 0.00 C ATOM 0 H ILE A 97 11.245 6.127 -7.120 1.00 0.00 H new ATOM 0 HA ILE A 97 12.887 5.439 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 97 10.053 6.476 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 97 12.417 8.052 -5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.935 7.695 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 97 11.113 7.792 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 97 11.367 6.044 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.687 7.065 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.919 10.001 -5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.641 9.043 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 97 11.146 9.406 -3.980 1.00 0.00 H new ATOM 1492 N TYR A 98 10.204 3.634 -5.306 1.00 0.00 N ATOM 1493 CA TYR A 98 9.374 2.558 -4.798 1.00 0.00 C ATOM 1494 C TYR A 98 10.144 1.209 -4.853 1.00 0.00 C ATOM 1495 O TYR A 98 9.795 0.268 -4.149 1.00 0.00 O ATOM 1496 CB TYR A 98 8.006 2.596 -5.500 1.00 0.00 C ATOM 1497 CG TYR A 98 7.400 3.994 -5.590 1.00 0.00 C ATOM 1498 CD1 TYR A 98 7.728 4.811 -6.626 1.00 0.00 C ATOM 1499 CD2 TYR A 98 6.573 4.453 -4.611 1.00 0.00 C ATOM 1500 CE1 TYR A 98 7.221 6.066 -6.701 1.00 0.00 C ATOM 1501 CE2 TYR A 98 6.061 5.708 -4.686 1.00 0.00 C ATOM 1502 CZ TYR A 98 6.380 6.517 -5.732 1.00 0.00 C ATOM 1503 OH TYR A 98 5.871 7.786 -5.800 1.00 0.00 O ATOM 0 H TYR A 98 9.972 3.943 -6.250 1.00 0.00 H new ATOM 0 HA TYR A 98 9.150 2.686 -3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.113 2.191 -6.506 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.315 1.944 -4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.398 4.457 -7.396 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.324 3.818 -3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.485 6.707 -7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.398 6.066 -3.912 1.00 0.00 H new ATOM 0 HH TYR A 98 5.287 7.946 -5.029 1.00 0.00 H new ATOM 1513 N LYS A 99 11.238 1.135 -5.619 1.00 0.00 N ATOM 1514 CA LYS A 99 12.186 0.004 -5.563 1.00 0.00 C ATOM 1515 C LYS A 99 12.763 -0.223 -4.156 1.00 0.00 C ATOM 1516 O LYS A 99 12.718 -1.340 -3.642 1.00 0.00 O ATOM 1517 CB LYS A 99 13.307 0.301 -6.570 1.00 0.00 C ATOM 1518 CG LYS A 99 14.377 -0.794 -6.595 1.00 0.00 C ATOM 1519 CD LYS A 99 15.493 -0.466 -7.589 1.00 0.00 C ATOM 1520 CE LYS A 99 16.554 -1.568 -7.610 1.00 0.00 C ATOM 1521 NZ LYS A 99 17.615 -1.232 -8.571 1.00 0.00 N ATOM 0 H LYS A 99 11.496 1.853 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 99 11.660 -0.917 -5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.877 0.408 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.773 1.254 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.800 -0.913 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.918 -1.746 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.071 -0.344 -8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.956 0.484 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.980 -1.691 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.096 -2.519 -7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.330 -1.987 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.205 -1.136 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.062 -0.334 -8.295 1.00 0.00 H new ATOM 1535 N VAL A 100 13.314 0.816 -3.532 1.00 0.00 N ATOM 1536 CA VAL A 100 13.809 0.682 -2.147 1.00 0.00 C ATOM 1537 C VAL A 100 12.652 0.389 -1.170 1.00 0.00 C ATOM 1538 O VAL A 100 12.805 -0.392 -0.228 1.00 0.00 O ATOM 1539 CB VAL A 100 14.594 1.949 -1.738 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.152 1.831 -0.314 1.00 0.00 C ATOM 1541 CG2 VAL A 100 15.768 2.215 -2.688 1.00 0.00 C ATOM 0 H VAL A 100 13.431 1.742 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 100 14.490 -0.168 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 100 13.884 2.775 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.698 2.740 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.330 1.694 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 100 15.825 0.976 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.297 3.113 -2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.451 1.366 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.392 2.355 -3.701 1.00 0.00 H new ATOM 1551 N ASP A 101 11.481 0.982 -1.412 1.00 0.00 N ATOM 1552 CA ASP A 101 10.289 0.625 -0.632 1.00 0.00 C ATOM 1553 C ASP A 101 9.887 -0.859 -0.782 1.00 0.00 C ATOM 1554 O ASP A 101 9.573 -1.521 0.207 1.00 0.00 O ATOM 1555 CB ASP A 101 9.160 1.526 -1.129 1.00 0.00 C ATOM 1556 CG ASP A 101 8.739 2.581 -0.113 1.00 0.00 C ATOM 1557 OD1 ASP A 101 7.842 2.300 0.711 1.00 0.00 O ATOM 1558 OD2 ASP A 101 9.305 3.696 -0.134 1.00 0.00 O ATOM 0 H ASP A 101 11.331 1.696 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 101 10.498 0.767 0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.477 2.021 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.297 0.910 -1.381 1.00 0.00 H new ATOM 1563 N ALA A 102 9.903 -1.385 -2.011 1.00 0.00 N ATOM 1564 CA ALA A 102 9.688 -2.819 -2.248 1.00 0.00 C ATOM 1565 C ALA A 102 10.691 -3.694 -1.487 1.00 0.00 C ATOM 1566 O ALA A 102 10.333 -4.717 -0.909 1.00 0.00 O ATOM 1567 CB ALA A 102 9.887 -3.060 -3.740 1.00 0.00 C ATOM 0 H ALA A 102 10.063 -0.840 -2.858 1.00 0.00 H new ATOM 0 HA ALA A 102 8.689 -3.084 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.736 -4.117 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.168 -2.465 -4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.899 -2.771 -4.023 1.00 0.00 H new ATOM 1573 N LEU A 103 11.957 -3.282 -1.503 1.00 0.00 N ATOM 1574 CA LEU A 103 13.018 -4.065 -0.852 1.00 0.00 C ATOM 1575 C LEU A 103 12.809 -4.201 0.664 1.00 0.00 C ATOM 1576 O LEU A 103 12.973 -5.287 1.220 1.00 0.00 O ATOM 1577 CB LEU A 103 14.365 -3.387 -1.160 1.00 0.00 C ATOM 1578 CG LEU A 103 15.595 -4.195 -0.718 1.00 0.00 C ATOM 1579 CD1 LEU A 103 15.724 -5.507 -1.498 1.00 0.00 C ATOM 1580 CD2 LEU A 103 16.859 -3.357 -0.926 1.00 0.00 C ATOM 0 H LEU A 103 12.276 -2.423 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 103 12.998 -5.081 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.430 -3.206 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.389 -2.414 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 103 15.471 -4.440 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.606 -6.049 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 103 14.836 -6.117 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 103 15.822 -5.290 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.731 -3.930 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.955 -3.098 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 103 16.792 -2.445 -0.333 1.00 0.00 H new ATOM 1592 N ILE A 104 12.460 -3.105 1.336 1.00 0.00 N ATOM 1593 CA ILE A 104 12.309 -3.148 2.804 1.00 0.00 C ATOM 1594 C ILE A 104 10.952 -3.745 3.235 1.00 0.00 C ATOM 1595 O ILE A 104 10.883 -4.440 4.250 1.00 0.00 O ATOM 1596 CB ILE A 104 12.584 -1.742 3.379 1.00 0.00 C ATOM 1597 CG1 ILE A 104 14.035 -1.324 3.079 1.00 0.00 C ATOM 1598 CG2 ILE A 104 12.329 -1.689 4.892 1.00 0.00 C ATOM 1599 CD1 ILE A 104 14.334 0.134 3.436 1.00 0.00 C ATOM 0 H ILE A 104 12.279 -2.196 0.910 1.00 0.00 H new ATOM 0 HA ILE A 104 13.047 -3.830 3.226 1.00 0.00 H new ATOM 0 HB ILE A 104 11.896 -1.047 2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 104 14.714 -1.972 3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 104 14.239 -1.480 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 104 12.533 -0.684 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 104 11.289 -1.946 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.983 -2.400 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.373 0.361 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.679 0.791 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.162 0.290 4.501 1.00 0.00 H new ATOM 1611 N ASN A 105 9.881 -3.523 2.469 1.00 0.00 N ATOM 1612 CA ASN A 105 8.564 -4.066 2.835 1.00 0.00 C ATOM 1613 C ASN A 105 8.440 -5.588 2.655 1.00 0.00 C ATOM 1614 O ASN A 105 7.533 -6.196 3.225 1.00 0.00 O ATOM 1615 CB ASN A 105 7.497 -3.353 1.981 1.00 0.00 C ATOM 1616 CG ASN A 105 6.098 -3.462 2.582 1.00 0.00 C ATOM 1617 OD1 ASN A 105 5.330 -4.371 2.274 1.00 0.00 O ATOM 1618 ND2 ASN A 105 5.746 -2.530 3.450 1.00 0.00 N ATOM 0 H ASN A 105 9.894 -2.981 1.605 1.00 0.00 H new ATOM 0 HA ASN A 105 8.422 -3.883 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.763 -2.301 1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.493 -3.781 0.979 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.821 -2.556 3.879 1.00 0.00 H new ATOM 0 HD22 ASN A 105 6.399 -1.785 3.691 1.00 0.00 H new ATOM 1625 N GLY A 106 9.316 -6.214 1.874 1.00 0.00 N ATOM 1626 CA GLY A 106 9.177 -7.658 1.622 1.00 0.00 C ATOM 1627 C GLY A 106 8.610 -7.963 0.231 1.00 0.00 C ATOM 1628 O GLY A 106 7.949 -8.983 0.030 1.00 0.00 O ATOM 0 H GLY A 106 10.109 -5.767 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.151 -8.136 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.525 -8.094 2.379 1.00 0.00 H new ATOM 1632 N PHE A 107 8.910 -7.096 -0.731 1.00 0.00 N ATOM 1633 CA PHE A 107 8.634 -7.404 -2.140 1.00 0.00 C ATOM 1634 C PHE A 107 9.974 -7.701 -2.828 1.00 0.00 C ATOM 1635 O PHE A 107 11.050 -7.318 -2.363 1.00 0.00 O ATOM 1636 CB PHE A 107 7.905 -6.263 -2.865 1.00 0.00 C ATOM 1637 CG PHE A 107 6.459 -6.034 -2.457 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.165 -5.184 -1.438 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.447 -6.616 -3.165 1.00 0.00 C ATOM 1640 CE1 PHE A 107 4.870 -4.943 -1.099 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.153 -6.370 -2.826 1.00 0.00 C ATOM 1642 CZ PHE A 107 3.867 -5.540 -1.791 1.00 0.00 C ATOM 0 H PHE A 107 9.339 -6.185 -0.570 1.00 0.00 H new ATOM 0 HA PHE A 107 7.968 -8.266 -2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.460 -5.340 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.933 -6.463 -3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 107 6.963 -4.698 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.674 -7.271 -3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.640 -4.277 -0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.352 -6.836 -3.381 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.839 -5.354 -1.518 1.00 0.00 H new ATOM 1652 N GLU A 108 9.893 -8.387 -3.962 1.00 0.00 N ATOM 1653 CA GLU A 108 11.100 -8.764 -4.710 1.00 0.00 C ATOM 1654 C GLU A 108 10.896 -8.376 -6.176 1.00 0.00 C ATOM 1655 O GLU A 108 10.065 -8.935 -6.893 1.00 0.00 O ATOM 1656 CB GLU A 108 11.383 -10.263 -4.548 1.00 0.00 C ATOM 1657 CG GLU A 108 12.726 -10.660 -5.175 1.00 0.00 C ATOM 1658 CD GLU A 108 13.027 -12.137 -4.967 1.00 0.00 C ATOM 1659 OE1 GLU A 108 12.494 -12.974 -5.726 1.00 0.00 O ATOM 1660 OE2 GLU A 108 13.800 -12.469 -4.042 1.00 0.00 O ATOM 0 H GLU A 108 9.017 -8.694 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 108 11.971 -8.236 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.386 -10.520 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.581 -10.837 -5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.710 -10.438 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.524 -10.060 -4.737 1.00 0.00 H new ATOM 1667 N ILE A 109 11.663 -7.383 -6.602 1.00 0.00 N ATOM 1668 CA ILE A 109 11.399 -6.699 -7.866 1.00 0.00 C ATOM 1669 C ILE A 109 12.134 -7.342 -9.048 1.00 0.00 C ATOM 1670 O ILE A 109 13.197 -7.950 -8.920 1.00 0.00 O ATOM 1671 CB ILE A 109 11.857 -5.256 -7.569 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.434 -4.188 -8.573 1.00 0.00 C ATOM 1673 CG2 ILE A 109 13.369 -5.177 -7.442 1.00 0.00 C ATOM 1674 CD1 ILE A 109 11.880 -2.802 -8.120 1.00 0.00 C ATOM 0 H ILE A 109 12.474 -7.031 -6.093 1.00 0.00 H new ATOM 0 HA ILE A 109 10.356 -6.751 -8.178 1.00 0.00 H new ATOM 0 HB ILE A 109 11.344 -5.033 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.865 -4.411 -9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.351 -4.204 -8.691 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.663 -4.149 -7.233 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.700 -5.822 -6.628 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.830 -5.504 -8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.565 -2.060 -8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 109 11.428 -2.572 -7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.966 -2.782 -8.026 1.00 0.00 H new ATOM 1686 N ILE A 110 11.538 -7.158 -10.217 1.00 0.00 N ATOM 1687 CA ILE A 110 12.172 -7.589 -11.474 1.00 0.00 C ATOM 1688 C ILE A 110 11.628 -6.714 -12.609 1.00 0.00 C ATOM 1689 O ILE A 110 10.423 -6.502 -12.764 1.00 0.00 O ATOM 1690 CB ILE A 110 12.023 -9.109 -11.706 1.00 0.00 C ATOM 1691 CG1 ILE A 110 12.703 -9.590 -13.000 1.00 0.00 C ATOM 1692 CG2 ILE A 110 10.558 -9.569 -11.678 1.00 0.00 C ATOM 1693 CD1 ILE A 110 12.855 -11.112 -13.057 1.00 0.00 C ATOM 0 H ILE A 110 10.625 -6.718 -10.331 1.00 0.00 H new ATOM 0 HA ILE A 110 13.251 -7.442 -11.429 1.00 0.00 H new ATOM 0 HB ILE A 110 12.542 -9.573 -10.867 1.00 0.00 H new ATOM 0 HG12 ILE A 110 12.120 -9.255 -13.858 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.687 -9.127 -13.082 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.511 -10.645 -11.846 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.121 -9.334 -10.707 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.000 -9.055 -12.461 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.341 -11.394 -13.991 1.00 0.00 H new ATOM 0 HD12 ILE A 110 13.462 -11.449 -12.216 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.871 -11.578 -13.004 1.00 0.00 H new ATOM 1705 N ASN A 111 12.567 -6.191 -13.385 1.00 0.00 N ATOM 1706 CA ASN A 111 12.224 -5.286 -14.491 1.00 0.00 C ATOM 1707 C ASN A 111 12.075 -6.064 -15.800 1.00 0.00 C ATOM 1708 O ASN A 111 13.030 -6.384 -16.507 1.00 0.00 O ATOM 1709 CB ASN A 111 13.217 -4.124 -14.608 1.00 0.00 C ATOM 1710 CG ASN A 111 14.691 -4.522 -14.730 1.00 0.00 C ATOM 1711 OD1 ASN A 111 15.311 -5.005 -13.784 1.00 0.00 O ATOM 1712 ND2 ASN A 111 15.274 -4.311 -15.896 1.00 0.00 N ATOM 0 H ASN A 111 13.565 -6.371 -13.277 1.00 0.00 H new ATOM 0 HA ASN A 111 11.257 -4.834 -14.270 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.948 -3.526 -15.478 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.103 -3.483 -13.733 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.257 -4.550 -16.025 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.741 -3.909 -16.667 1.00 0.00 H new ATOM 1719 N GLU A 112 10.816 -6.327 -16.098 1.00 0.00 N ATOM 1720 CA GLU A 112 10.423 -6.873 -17.406 1.00 0.00 C ATOM 1721 C GLU A 112 9.670 -5.774 -18.189 1.00 0.00 C ATOM 1722 O GLU A 112 9.445 -4.690 -17.646 1.00 0.00 O ATOM 1723 CB GLU A 112 9.518 -8.096 -17.162 1.00 0.00 C ATOM 1724 CG GLU A 112 10.218 -9.257 -16.442 1.00 0.00 C ATOM 1725 CD GLU A 112 11.380 -9.830 -17.246 1.00 0.00 C ATOM 1726 OE1 GLU A 112 11.133 -10.562 -18.228 1.00 0.00 O ATOM 1727 OE2 GLU A 112 12.549 -9.552 -16.896 1.00 0.00 O ATOM 0 H GLU A 112 10.038 -6.174 -15.457 1.00 0.00 H new ATOM 0 HA GLU A 112 11.291 -7.183 -17.988 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.655 -7.785 -16.574 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.139 -8.452 -18.120 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.585 -8.912 -15.475 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.493 -10.047 -16.244 1.00 0.00 H new ATOM 1734 N PRO A 113 9.233 -5.990 -19.440 1.00 0.00 N ATOM 1735 CA PRO A 113 8.525 -4.938 -20.195 1.00 0.00 C ATOM 1736 C PRO A 113 7.265 -4.298 -19.583 1.00 0.00 C ATOM 1737 O PRO A 113 6.847 -3.214 -19.991 1.00 0.00 O ATOM 1738 CB PRO A 113 8.274 -5.616 -21.540 1.00 0.00 C ATOM 1739 CG PRO A 113 9.484 -6.536 -21.711 1.00 0.00 C ATOM 1740 CD PRO A 113 9.796 -7.046 -20.302 1.00 0.00 C ATOM 0 HA PRO A 113 9.137 -4.036 -20.229 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.340 -6.178 -21.537 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.206 -4.889 -22.349 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.261 -7.360 -22.389 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.333 -5.998 -22.133 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.333 -8.014 -20.111 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.868 -7.168 -20.144 1.00 0.00 H new ATOM 1748 N ASP A 114 6.718 -4.922 -18.550 1.00 0.00 N ATOM 1749 CA ASP A 114 5.921 -4.196 -17.559 1.00 0.00 C ATOM 1750 C ASP A 114 6.666 -4.363 -16.225 1.00 0.00 C ATOM 1751 O ASP A 114 7.332 -5.376 -15.994 1.00 0.00 O ATOM 1752 CB ASP A 114 4.504 -4.788 -17.514 1.00 0.00 C ATOM 1753 CG ASP A 114 4.437 -6.275 -17.163 1.00 0.00 C ATOM 1754 OD1 ASP A 114 4.343 -6.607 -15.961 1.00 0.00 O ATOM 1755 OD2 ASP A 114 4.476 -7.115 -18.088 1.00 0.00 O ATOM 0 H ASP A 114 6.808 -5.922 -18.372 1.00 0.00 H new ATOM 0 HA ASP A 114 5.807 -3.138 -17.795 1.00 0.00 H new ATOM 0 HB2 ASP A 114 3.916 -4.231 -16.784 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.032 -4.637 -18.485 1.00 0.00 H new ATOM 1760 N TYR A 115 6.575 -3.389 -15.325 1.00 0.00 N ATOM 1761 CA TYR A 115 7.446 -3.424 -14.146 1.00 0.00 C ATOM 1762 C TYR A 115 6.778 -4.268 -13.058 1.00 0.00 C ATOM 1763 O TYR A 115 5.563 -4.199 -12.870 1.00 0.00 O ATOM 1764 CB TYR A 115 7.622 -1.965 -13.721 1.00 0.00 C ATOM 1765 CG TYR A 115 8.826 -1.748 -12.833 1.00 0.00 C ATOM 1766 CD1 TYR A 115 10.071 -1.720 -13.380 1.00 0.00 C ATOM 1767 CD2 TYR A 115 8.665 -1.512 -11.505 1.00 0.00 C ATOM 1768 CE1 TYR A 115 11.147 -1.437 -12.606 1.00 0.00 C ATOM 1769 CE2 TYR A 115 9.742 -1.214 -10.734 1.00 0.00 C ATOM 1770 CZ TYR A 115 10.983 -1.167 -11.286 1.00 0.00 C ATOM 1771 OH TYR A 115 12.071 -0.834 -10.523 1.00 0.00 O ATOM 0 H TYR A 115 5.937 -2.595 -15.379 1.00 0.00 H new ATOM 0 HA TYR A 115 8.418 -3.876 -14.342 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.717 -1.342 -14.611 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.726 -1.635 -13.195 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.202 -1.924 -14.432 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.681 -1.561 -11.063 1.00 0.00 H new ATOM 0 HE1 TYR A 115 12.136 -1.426 -13.040 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.612 -1.014 -9.681 1.00 0.00 H new ATOM 0 HH TYR A 115 11.878 -0.017 -10.018 1.00 0.00 H new ATOM 1781 N CYS A 116 7.555 -5.089 -12.357 1.00 0.00 N ATOM 1782 CA CYS A 116 6.931 -6.018 -11.400 1.00 0.00 C ATOM 1783 C CYS A 116 7.469 -6.531 -10.036 1.00 0.00 C ATOM 1784 O CYS A 116 8.543 -7.133 -10.005 1.00 0.00 O ATOM 1785 CB CYS A 116 6.410 -7.358 -11.930 1.00 0.00 C ATOM 1786 SG CYS A 116 7.757 -8.339 -12.658 1.00 0.00 S ATOM 0 H CYS A 116 8.572 -5.137 -12.421 1.00 0.00 H new ATOM 0 HA CYS A 116 6.286 -5.157 -11.223 1.00 0.00 H new ATOM 0 HB2 CYS A 116 5.945 -7.918 -11.119 1.00 0.00 H new ATOM 0 HB3 CYS A 116 5.638 -7.182 -12.679 1.00 0.00 H new ATOM 0 HG CYS A 116 8.794 -7.578 -12.849 1.00 0.00 H new ATOM 1792 N TRP A 117 6.781 -6.309 -8.909 1.00 0.00 N ATOM 1793 CA TRP A 117 7.306 -6.733 -7.599 1.00 0.00 C ATOM 1794 C TRP A 117 6.465 -7.904 -7.074 1.00 0.00 C ATOM 1795 O TRP A 117 5.282 -7.744 -6.784 1.00 0.00 O ATOM 1796 CB TRP A 117 7.151 -5.652 -6.523 1.00 0.00 C ATOM 1797 CG TRP A 117 7.497 -4.234 -6.890 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.174 -3.747 -8.010 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.278 -3.163 -6.077 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.390 -2.368 -7.894 1.00 0.00 N ATOM 1801 CE2 TRP A 117 7.828 -2.053 -6.667 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.685 -3.098 -4.847 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 7.881 -0.883 -5.984 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.630 -1.894 -4.231 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.265 -0.821 -4.767 1.00 0.00 C ATOM 0 H TRP A 117 5.873 -5.846 -8.873 1.00 0.00 H new ATOM 0 HA TRP A 117 8.357 -6.973 -7.761 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.115 -5.666 -6.183 1.00 0.00 H new ATOM 0 HB3 TRP A 117 7.770 -5.937 -5.672 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.488 -4.350 -8.849 1.00 0.00 H new ATOM 0 HE1 TRP A 117 8.851 -1.744 -8.556 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.273 -3.981 -4.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.396 -0.025 -6.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.078 -1.787 -3.309 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.284 0.108 -4.216 1.00 0.00 H new ATOM 1816 N ILE A 118 7.057 -9.070 -6.886 1.00 0.00 N ATOM 1817 CA ILE A 118 6.326 -10.172 -6.233 1.00 0.00 C ATOM 1818 C ILE A 118 6.880 -10.384 -4.815 1.00 0.00 C ATOM 1819 O ILE A 118 8.083 -10.330 -4.567 1.00 0.00 O ATOM 1820 CB ILE A 118 6.287 -11.435 -7.130 1.00 0.00 C ATOM 1821 CG1 ILE A 118 6.024 -12.757 -6.393 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.539 -11.658 -7.964 1.00 0.00 C ATOM 1823 CD1 ILE A 118 5.064 -13.613 -7.215 1.00 0.00 C ATOM 0 H ILE A 118 8.014 -9.288 -7.163 1.00 0.00 H new ATOM 0 HA ILE A 118 5.275 -9.912 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 118 5.438 -11.194 -7.770 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.961 -13.291 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.600 -12.559 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.423 -12.563 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.692 -10.805 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.401 -11.765 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.876 -14.552 -6.694 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.124 -13.078 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.506 -13.821 -8.190 1.00 0.00 H new ATOM 1835 N LYS A 119 5.977 -10.731 -3.903 1.00 0.00 N ATOM 1836 CA LYS A 119 6.344 -10.933 -2.497 1.00 0.00 C ATOM 1837 C LYS A 119 6.982 -12.304 -2.273 1.00 0.00 C ATOM 1838 O LYS A 119 6.337 -13.342 -2.420 1.00 0.00 O ATOM 1839 CB LYS A 119 5.086 -10.876 -1.626 1.00 0.00 C ATOM 1840 CG LYS A 119 4.572 -9.457 -1.371 1.00 0.00 C ATOM 1841 CD LYS A 119 3.555 -9.427 -0.222 1.00 0.00 C ATOM 1842 CE LYS A 119 4.220 -9.675 1.138 1.00 0.00 C ATOM 1843 NZ LYS A 119 3.212 -9.750 2.202 1.00 0.00 N ATOM 0 H LYS A 119 4.989 -10.879 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 119 7.054 -10.149 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.298 -11.457 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.297 -11.353 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.410 -8.802 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.110 -9.067 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.051 -8.461 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.790 -10.183 -0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.791 -10.603 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.926 -8.873 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 3.603 -9.351 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.370 -9.209 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.948 -10.743 2.361 1.00 0.00 H new ATOM 1857 N MET A 120 8.278 -12.302 -1.982 1.00 0.00 N ATOM 1858 CA MET A 120 9.036 -13.561 -1.956 1.00 0.00 C ATOM 1859 C MET A 120 9.205 -14.019 -0.497 1.00 0.00 C ATOM 1860 O MET A 120 9.160 -13.221 0.440 1.00 0.00 O ATOM 1861 CB MET A 120 10.384 -13.331 -2.654 1.00 0.00 C ATOM 1862 CG MET A 120 11.160 -14.629 -2.901 1.00 0.00 C ATOM 1863 SD MET A 120 10.173 -15.737 -3.923 1.00 0.00 S ATOM 1864 CE MET A 120 11.238 -17.190 -3.905 1.00 0.00 C ATOM 0 H MET A 120 8.822 -11.467 -1.764 1.00 0.00 H new ATOM 0 HA MET A 120 8.508 -14.353 -2.488 1.00 0.00 H new ATOM 0 HB2 MET A 120 10.213 -12.830 -3.607 1.00 0.00 H new ATOM 0 HB3 MET A 120 10.992 -12.661 -2.046 1.00 0.00 H new ATOM 0 HG2 MET A 120 12.107 -14.410 -3.394 1.00 0.00 H new ATOM 0 HG3 MET A 120 11.398 -15.109 -1.952 1.00 0.00 H new ATOM 0 HE1 MET A 120 10.780 -17.984 -4.494 1.00 0.00 H new ATOM 0 HE2 MET A 120 12.208 -16.935 -4.332 1.00 0.00 H new ATOM 0 HE3 MET A 120 11.371 -17.531 -2.878 1.00 0.00 H new TER 1874 MET A 120