USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 880 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 36 CYS SG : rot 149:sc= -0.902 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.209 X(o=-0.69,f=-1.1) USER MOD Set 2.1: A 31 SER OG : rot -117:sc= 0 USER MOD Set 2.2: A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -41:sc= 1.12 USER MOD Single : A 14 THR OG1 : rot -160:sc= -0.161 USER MOD Single : A 15 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.94) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0.0285 X(o=0.029,f=-0.33) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -71:sc= 1.3 USER MOD Single : A 44 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.42) USER MOD Single : A 49 GLN : amide:sc=-0.00745 K(o=-0.0075,f=-0.57) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 0.247 (180deg=0.127) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 165:sc= 0.034 USER MOD Single : A 80 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.31) USER MOD Single : A 83 THR OG1 : rot 151:sc= 0.441 USER MOD Single : A 87 ASN : amide:sc= -1.7! K(o=-1.7!,f=-0.71) USER MOD Single : A 89 LYS NZ :NH3+ 154:sc= 0.126 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -62:sc= 0.0797 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.135 K(o=-0.13,f=-0.9) USER MOD Single : A 98 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.084) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 80:sc= 0.254 USER MOD Single : A 111 THR OG1 : rot 70:sc= 0.214 USER MOD Single : A 112 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 -21.518 -10.585 -0.629 1.00 0.00 N ATOM 2 CA MET A 9 -20.208 -11.296 -0.604 1.00 0.00 C ATOM 3 C MET A 9 -19.414 -11.050 -1.891 1.00 0.00 C ATOM 4 O MET A 9 -19.952 -10.539 -2.876 1.00 0.00 O ATOM 5 CB MET A 9 -20.466 -12.795 -0.417 1.00 0.00 C ATOM 6 CG MET A 9 -20.692 -13.198 1.032 1.00 0.00 C ATOM 7 SD MET A 9 -21.862 -14.558 1.200 1.00 0.00 S ATOM 8 CE MET A 9 -22.338 -14.372 2.916 1.00 0.00 C ATOM 0 HA MET A 9 -19.612 -10.912 0.224 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.338 -13.081 -1.005 1.00 0.00 H new ATOM 0 HB3 MET A 9 -19.617 -13.353 -0.813 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.740 -13.486 1.478 1.00 0.00 H new ATOM 0 HG3 MET A 9 -21.059 -12.337 1.591 1.00 0.00 H new ATOM 0 HE1 MET A 9 -23.062 -15.143 3.178 1.00 0.00 H new ATOM 0 HE2 MET A 9 -21.457 -14.471 3.551 1.00 0.00 H new ATOM 0 HE3 MET A 9 -22.784 -13.389 3.065 1.00 0.00 H new ATOM 18 N SER A 10 -18.128 -11.413 -1.860 1.00 0.00 N ATOM 19 CA SER A 10 -17.225 -11.241 -3.005 1.00 0.00 C ATOM 20 C SER A 10 -17.207 -9.798 -3.522 1.00 0.00 C ATOM 21 O SER A 10 -16.855 -9.550 -4.676 1.00 0.00 O ATOM 22 CB SER A 10 -17.601 -12.195 -4.139 1.00 0.00 C ATOM 23 OG SER A 10 -18.684 -11.694 -4.907 1.00 0.00 O ATOM 0 H SER A 10 -17.684 -11.833 -1.044 1.00 0.00 H new ATOM 0 HA SER A 10 -16.221 -11.478 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.737 -12.351 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 10 -17.868 -13.167 -3.724 1.00 0.00 H new ATOM 0 HG SER A 10 -19.351 -11.294 -4.310 1.00 0.00 H new ATOM 29 N ALA A 11 -17.574 -8.850 -2.665 1.00 0.00 N ATOM 30 CA ALA A 11 -17.586 -7.439 -3.042 1.00 0.00 C ATOM 31 C ALA A 11 -16.249 -6.775 -2.706 1.00 0.00 C ATOM 32 O ALA A 11 -15.878 -5.767 -3.309 1.00 0.00 O ATOM 33 CB ALA A 11 -18.738 -6.712 -2.359 1.00 0.00 C ATOM 0 H ALA A 11 -17.867 -9.032 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.733 -7.375 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.730 -5.662 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -19.683 -7.166 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.626 -6.788 -1.277 1.00 0.00 H new ATOM 39 N PHE A 12 -15.527 -7.358 -1.747 1.00 0.00 N ATOM 40 CA PHE A 12 -14.227 -6.835 -1.327 1.00 0.00 C ATOM 41 C PHE A 12 -13.123 -7.879 -1.525 1.00 0.00 C ATOM 42 O PHE A 12 -11.997 -7.536 -1.890 1.00 0.00 O ATOM 43 CB PHE A 12 -14.284 -6.398 0.141 1.00 0.00 C ATOM 44 CG PHE A 12 -13.618 -5.077 0.408 1.00 0.00 C ATOM 45 CD1 PHE A 12 -12.242 -4.944 0.307 1.00 0.00 C ATOM 46 CD2 PHE A 12 -14.370 -3.970 0.765 1.00 0.00 C ATOM 47 CE1 PHE A 12 -11.629 -3.733 0.558 1.00 0.00 C ATOM 48 CE2 PHE A 12 -13.763 -2.756 1.018 1.00 0.00 C ATOM 49 CZ PHE A 12 -12.391 -2.635 0.914 1.00 0.00 C ATOM 0 H PHE A 12 -15.823 -8.196 -1.245 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.991 -5.971 -1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -15.327 -6.338 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.811 -7.163 0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.642 -5.798 0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.443 -4.057 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.556 -3.643 0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.361 -1.901 1.297 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.915 -1.686 1.110 1.00 0.00 H new ATOM 59 N VAL A 13 -13.452 -9.150 -1.284 1.00 0.00 N ATOM 60 CA VAL A 13 -12.486 -10.237 -1.440 1.00 0.00 C ATOM 61 C VAL A 13 -11.996 -10.327 -2.885 1.00 0.00 C ATOM 62 O VAL A 13 -10.793 -10.274 -3.143 1.00 0.00 O ATOM 63 CB VAL A 13 -13.076 -11.604 -1.018 1.00 0.00 C ATOM 64 CG1 VAL A 13 -11.976 -12.651 -0.917 1.00 0.00 C ATOM 65 CG2 VAL A 13 -13.832 -11.485 0.302 1.00 0.00 C ATOM 0 H VAL A 13 -14.378 -9.450 -0.981 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.648 -10.006 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.783 -11.922 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.409 -13.606 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.488 -12.760 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.243 -12.338 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.238 -12.458 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.152 -11.141 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.648 -10.770 0.191 1.00 0.00 H new ATOM 75 N THR A 14 -12.935 -10.458 -3.824 1.00 0.00 N ATOM 76 CA THR A 14 -12.596 -10.548 -5.242 1.00 0.00 C ATOM 77 C THR A 14 -12.083 -9.206 -5.764 1.00 0.00 C ATOM 78 O THR A 14 -11.141 -9.159 -6.555 1.00 0.00 O ATOM 79 CB THR A 14 -13.813 -10.996 -6.057 1.00 0.00 C ATOM 80 OG1 THR A 14 -14.407 -12.149 -5.486 1.00 0.00 O ATOM 81 CG2 THR A 14 -13.483 -11.314 -7.499 1.00 0.00 C ATOM 0 H THR A 14 -13.935 -10.504 -3.627 1.00 0.00 H new ATOM 0 HA THR A 14 -11.805 -11.289 -5.353 1.00 0.00 H new ATOM 0 HB THR A 14 -14.500 -10.150 -6.036 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.959 -12.600 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 14 -14.389 -11.625 -8.020 1.00 0.00 H new ATOM 0 HG22 THR A 14 -13.073 -10.427 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.749 -12.119 -7.535 1.00 0.00 H new ATOM 89 N LYS A 15 -12.711 -8.115 -5.314 1.00 0.00 N ATOM 90 CA LYS A 15 -12.313 -6.771 -5.733 1.00 0.00 C ATOM 91 C LYS A 15 -10.850 -6.499 -5.384 1.00 0.00 C ATOM 92 O LYS A 15 -10.126 -5.873 -6.158 1.00 0.00 O ATOM 93 CB LYS A 15 -13.215 -5.715 -5.084 1.00 0.00 C ATOM 94 CG LYS A 15 -13.982 -4.867 -6.087 1.00 0.00 C ATOM 95 CD LYS A 15 -15.221 -5.587 -6.597 1.00 0.00 C ATOM 96 CE LYS A 15 -16.468 -4.725 -6.458 1.00 0.00 C ATOM 97 NZ LYS A 15 -17.701 -5.543 -6.283 1.00 0.00 N ATOM 0 H LYS A 15 -13.495 -8.138 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.425 -6.711 -6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.925 -6.213 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.604 -5.062 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.273 -3.926 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.333 -4.619 -6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.080 -5.858 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.357 -6.516 -6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.353 -4.057 -5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.574 -4.096 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.474 -5.130 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.521 -6.515 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.969 -5.556 -5.278 1.00 0.00 H new ATOM 111 N ALA A 16 -10.421 -6.983 -4.217 1.00 0.00 N ATOM 112 CA ALA A 16 -9.041 -6.801 -3.767 1.00 0.00 C ATOM 113 C ALA A 16 -8.066 -7.518 -4.696 1.00 0.00 C ATOM 114 O ALA A 16 -7.080 -6.932 -5.143 1.00 0.00 O ATOM 115 CB ALA A 16 -8.872 -7.299 -2.337 1.00 0.00 C ATOM 0 H ALA A 16 -11.010 -7.504 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.817 -5.735 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.839 -7.155 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.535 -6.740 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.121 -8.359 -2.289 1.00 0.00 H new ATOM 121 N GLU A 17 -8.354 -8.788 -4.985 1.00 0.00 N ATOM 122 CA GLU A 17 -7.503 -9.587 -5.866 1.00 0.00 C ATOM 123 C GLU A 17 -7.510 -9.026 -7.288 1.00 0.00 C ATOM 124 O GLU A 17 -6.481 -9.023 -7.963 1.00 0.00 O ATOM 125 CB GLU A 17 -7.956 -11.050 -5.868 1.00 0.00 C ATOM 126 CG GLU A 17 -7.972 -11.680 -4.482 1.00 0.00 C ATOM 127 CD GLU A 17 -7.119 -12.930 -4.395 1.00 0.00 C ATOM 128 OE1 GLU A 17 -5.886 -12.799 -4.244 1.00 0.00 O ATOM 129 OE2 GLU A 17 -7.684 -14.041 -4.478 1.00 0.00 O ATOM 0 H GLU A 17 -9.168 -9.284 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.483 -9.539 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.955 -11.113 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.294 -11.627 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.617 -10.952 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.999 -11.927 -4.212 1.00 0.00 H new ATOM 136 N GLU A 18 -8.669 -8.546 -7.738 1.00 0.00 N ATOM 137 CA GLU A 18 -8.786 -7.975 -9.077 1.00 0.00 C ATOM 138 C GLU A 18 -7.964 -6.693 -9.202 1.00 0.00 C ATOM 139 O GLU A 18 -7.366 -6.432 -10.246 1.00 0.00 O ATOM 140 CB GLU A 18 -10.252 -7.686 -9.412 1.00 0.00 C ATOM 141 CG GLU A 18 -10.799 -8.554 -10.534 1.00 0.00 C ATOM 142 CD GLU A 18 -10.114 -8.294 -11.867 1.00 0.00 C ATOM 143 OE1 GLU A 18 -9.880 -7.112 -12.198 1.00 0.00 O ATOM 144 OE2 GLU A 18 -9.809 -9.274 -12.577 1.00 0.00 O ATOM 0 H GLU A 18 -9.534 -8.541 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.396 -8.706 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.857 -7.837 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.353 -6.637 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.678 -9.604 -10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.869 -8.373 -10.639 1.00 0.00 H new ATOM 151 N MET A 19 -7.941 -5.897 -8.133 1.00 0.00 N ATOM 152 CA MET A 19 -7.196 -4.640 -8.120 1.00 0.00 C ATOM 153 C MET A 19 -5.691 -4.880 -8.246 1.00 0.00 C ATOM 154 O MET A 19 -5.018 -4.213 -9.032 1.00 0.00 O ATOM 155 CB MET A 19 -7.496 -3.859 -6.838 1.00 0.00 C ATOM 156 CG MET A 19 -8.205 -2.535 -7.078 1.00 0.00 C ATOM 157 SD MET A 19 -9.434 -2.178 -5.808 1.00 0.00 S ATOM 158 CE MET A 19 -10.200 -0.699 -6.468 1.00 0.00 C ATOM 0 H MET A 19 -8.432 -6.102 -7.263 1.00 0.00 H new ATOM 0 HA MET A 19 -7.517 -4.055 -8.981 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.111 -4.476 -6.183 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.560 -3.669 -6.312 1.00 0.00 H new ATOM 0 HG2 MET A 19 -7.469 -1.731 -7.105 1.00 0.00 H new ATOM 0 HG3 MET A 19 -8.690 -2.557 -8.054 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.982 -0.360 -5.789 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.448 0.083 -6.575 1.00 0.00 H new ATOM 0 HE3 MET A 19 -10.636 -0.919 -7.442 1.00 0.00 H new ATOM 168 N ILE A 20 -5.169 -5.836 -7.474 1.00 0.00 N ATOM 169 CA ILE A 20 -3.748 -6.158 -7.509 1.00 0.00 C ATOM 170 C ILE A 20 -3.370 -6.888 -8.797 1.00 0.00 C ATOM 171 O ILE A 20 -2.191 -6.975 -9.146 1.00 0.00 O ATOM 172 CB ILE A 20 -3.332 -7.022 -6.300 1.00 0.00 C ATOM 173 CG1 ILE A 20 -4.214 -8.271 -6.187 1.00 0.00 C ATOM 174 CG2 ILE A 20 -3.387 -6.206 -5.015 1.00 0.00 C ATOM 175 CD1 ILE A 20 -3.639 -9.334 -5.276 1.00 0.00 C ATOM 0 H ILE A 20 -5.712 -6.398 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.215 -5.208 -7.468 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.304 -7.350 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.197 -7.980 -5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.359 -8.695 -7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.090 -6.832 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.707 -5.358 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.403 -5.844 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.314 -10.189 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.669 -9.653 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.519 -8.927 -4.272 1.00 0.00 H new ATOM 187 N LYS A 21 -4.375 -7.418 -9.503 1.00 0.00 N ATOM 188 CA LYS A 21 -4.142 -8.142 -10.747 1.00 0.00 C ATOM 189 C LYS A 21 -3.495 -7.240 -11.798 1.00 0.00 C ATOM 190 O LYS A 21 -2.365 -7.483 -12.221 1.00 0.00 O ATOM 191 CB LYS A 21 -5.459 -8.706 -11.285 1.00 0.00 C ATOM 192 CG LYS A 21 -5.328 -10.096 -11.891 1.00 0.00 C ATOM 193 CD LYS A 21 -6.069 -10.202 -13.214 1.00 0.00 C ATOM 194 CE LYS A 21 -6.784 -11.537 -13.350 1.00 0.00 C ATOM 195 NZ LYS A 21 -6.890 -11.971 -14.773 1.00 0.00 N ATOM 0 H LYS A 21 -5.356 -7.356 -9.230 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.458 -8.964 -10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.187 -8.740 -10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.854 -8.026 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.274 -10.329 -12.044 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.720 -10.836 -11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.793 -9.391 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.365 -10.080 -14.037 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.248 -12.295 -12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.782 -11.459 -12.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.384 -12.885 -14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.423 -11.261 -15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.937 -12.070 -15.178 1.00 0.00 H new ATOM 209 N SER A 22 -4.218 -6.199 -12.213 1.00 0.00 N ATOM 210 CA SER A 22 -3.711 -5.257 -13.213 1.00 0.00 C ATOM 211 C SER A 22 -2.930 -4.114 -12.561 1.00 0.00 C ATOM 212 O SER A 22 -2.171 -3.414 -13.233 1.00 0.00 O ATOM 213 CB SER A 22 -4.862 -4.692 -14.048 1.00 0.00 C ATOM 214 OG SER A 22 -5.119 -5.505 -15.180 1.00 0.00 O ATOM 0 H SER A 22 -5.156 -5.986 -11.873 1.00 0.00 H new ATOM 0 HA SER A 22 -3.030 -5.804 -13.865 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.760 -4.623 -13.435 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.618 -3.680 -14.371 1.00 0.00 H new ATOM 0 HG SER A 22 -5.860 -5.123 -15.696 1.00 0.00 H new ATOM 220 N HIS A 23 -3.112 -3.933 -11.251 1.00 0.00 N ATOM 221 CA HIS A 23 -2.415 -2.881 -10.522 1.00 0.00 C ATOM 222 C HIS A 23 -1.641 -3.467 -9.343 1.00 0.00 C ATOM 223 O HIS A 23 -2.006 -3.263 -8.182 1.00 0.00 O ATOM 224 CB HIS A 23 -3.401 -1.813 -10.040 1.00 0.00 C ATOM 225 CG HIS A 23 -3.584 -0.692 -11.015 1.00 0.00 C ATOM 226 ND1 HIS A 23 -4.607 -0.659 -11.938 1.00 0.00 N ATOM 227 CD2 HIS A 23 -2.867 0.441 -11.208 1.00 0.00 C ATOM 228 CE1 HIS A 23 -4.512 0.446 -12.657 1.00 0.00 C ATOM 229 NE2 HIS A 23 -3.465 1.129 -12.234 1.00 0.00 N ATOM 0 H HIS A 23 -3.735 -4.502 -10.678 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.704 -2.409 -11.200 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.367 -2.280 -9.849 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.050 -1.406 -9.091 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.989 0.746 -10.658 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.178 0.740 -13.455 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.151 2.024 -12.609 1.00 0.00 H new ATOM 238 N PRO A 24 -0.553 -4.209 -9.629 1.00 0.00 N ATOM 239 CA PRO A 24 0.280 -4.830 -8.591 1.00 0.00 C ATOM 240 C PRO A 24 1.029 -3.801 -7.745 1.00 0.00 C ATOM 241 O PRO A 24 1.420 -4.090 -6.615 1.00 0.00 O ATOM 242 CB PRO A 24 1.258 -5.695 -9.389 1.00 0.00 C ATOM 243 CG PRO A 24 1.320 -5.062 -10.734 1.00 0.00 C ATOM 244 CD PRO A 24 -0.048 -4.501 -10.986 1.00 0.00 C ATOM 0 HA PRO A 24 -0.317 -5.394 -7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.240 -5.718 -8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.911 -6.726 -9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.076 -4.277 -10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.590 -5.792 -11.497 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.007 -3.602 -11.601 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.686 -5.215 -11.507 1.00 0.00 H new ATOM 252 N TYR A 25 1.220 -2.598 -8.293 1.00 0.00 N ATOM 253 CA TYR A 25 1.912 -1.529 -7.579 1.00 0.00 C ATOM 254 C TYR A 25 0.905 -0.629 -6.858 1.00 0.00 C ATOM 255 O TYR A 25 0.741 0.545 -7.204 1.00 0.00 O ATOM 256 CB TYR A 25 2.764 -0.702 -8.550 1.00 0.00 C ATOM 257 CG TYR A 25 4.187 -1.201 -8.698 1.00 0.00 C ATOM 258 CD1 TYR A 25 5.066 -1.180 -7.622 1.00 0.00 C ATOM 259 CD2 TYR A 25 4.651 -1.683 -9.917 1.00 0.00 C ATOM 260 CE1 TYR A 25 6.367 -1.629 -7.755 1.00 0.00 C ATOM 261 CE2 TYR A 25 5.951 -2.133 -10.057 1.00 0.00 C ATOM 262 CZ TYR A 25 6.806 -2.103 -8.974 1.00 0.00 C ATOM 263 OH TYR A 25 8.103 -2.547 -9.110 1.00 0.00 O ATOM 0 H TYR A 25 0.904 -2.343 -9.229 1.00 0.00 H new ATOM 0 HA TYR A 25 2.570 -1.980 -6.836 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.285 -0.703 -9.529 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.786 0.333 -8.208 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.728 -0.807 -6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.986 -1.706 -10.768 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.037 -1.609 -6.908 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.296 -2.506 -11.010 1.00 0.00 H new ATOM 0 HH TYR A 25 8.251 -2.849 -10.031 1.00 0.00 H new ATOM 273 N PHE A 26 0.229 -1.192 -5.857 1.00 0.00 N ATOM 274 CA PHE A 26 -0.768 -0.452 -5.089 1.00 0.00 C ATOM 275 C PHE A 26 -0.285 -0.198 -3.663 1.00 0.00 C ATOM 276 O PHE A 26 0.124 -1.124 -2.959 1.00 0.00 O ATOM 277 CB PHE A 26 -2.094 -1.213 -5.064 1.00 0.00 C ATOM 278 CG PHE A 26 -3.302 -0.318 -5.073 1.00 0.00 C ATOM 279 CD1 PHE A 26 -3.855 0.135 -3.885 1.00 0.00 C ATOM 280 CD2 PHE A 26 -3.885 0.069 -6.271 1.00 0.00 C ATOM 281 CE1 PHE A 26 -4.965 0.958 -3.892 1.00 0.00 C ATOM 282 CE2 PHE A 26 -4.996 0.892 -6.282 1.00 0.00 C ATOM 283 CZ PHE A 26 -5.537 1.337 -5.091 1.00 0.00 C ATOM 0 H PHE A 26 0.355 -2.160 -5.560 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.920 0.511 -5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.138 -1.878 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.125 -1.843 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.413 -0.159 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.467 -0.276 -7.205 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.386 1.305 -2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.441 1.187 -7.221 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.405 1.980 -5.097 1.00 0.00 H new ATOM 293 N GLN A 27 -0.337 1.067 -3.247 1.00 0.00 N ATOM 294 CA GLN A 27 0.093 1.456 -1.907 1.00 0.00 C ATOM 295 C GLN A 27 -1.099 1.920 -1.071 1.00 0.00 C ATOM 296 O GLN A 27 -1.712 2.947 -1.367 1.00 0.00 O ATOM 297 CB GLN A 27 1.143 2.566 -1.993 1.00 0.00 C ATOM 298 CG GLN A 27 2.477 2.103 -2.558 1.00 0.00 C ATOM 299 CD GLN A 27 3.448 3.247 -2.788 1.00 0.00 C ATOM 300 OE1 GLN A 27 3.066 4.308 -3.280 1.00 0.00 O ATOM 301 NE2 GLN A 27 4.711 3.037 -2.432 1.00 0.00 N ATOM 0 H GLN A 27 -0.674 1.840 -3.821 1.00 0.00 H new ATOM 0 HA GLN A 27 0.536 0.587 -1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.756 3.373 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.304 2.980 -0.997 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.926 1.384 -1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.306 1.583 -3.500 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.985 2.142 -2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.407 3.771 -2.563 1.00 0.00 H new ATOM 310 N LEU A 28 -1.423 1.155 -0.026 1.00 0.00 N ATOM 311 CA LEU A 28 -2.543 1.485 0.853 1.00 0.00 C ATOM 312 C LEU A 28 -2.084 2.364 2.016 1.00 0.00 C ATOM 313 O LEU A 28 -1.143 2.019 2.732 1.00 0.00 O ATOM 314 CB LEU A 28 -3.198 0.208 1.391 1.00 0.00 C ATOM 315 CG LEU A 28 -4.718 0.277 1.574 1.00 0.00 C ATOM 316 CD1 LEU A 28 -5.084 1.231 2.703 1.00 0.00 C ATOM 317 CD2 LEU A 28 -5.398 0.696 0.276 1.00 0.00 C ATOM 0 H LEU A 28 -0.924 0.303 0.231 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.276 2.040 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.968 -0.613 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.744 -0.036 2.351 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.073 -0.718 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.168 1.264 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.634 0.884 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.713 2.229 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.477 0.739 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.035 1.679 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.170 -0.029 -0.505 1.00 0.00 H new ATOM 329 N SER A 29 -2.758 3.501 2.193 1.00 0.00 N ATOM 330 CA SER A 29 -2.424 4.435 3.267 1.00 0.00 C ATOM 331 C SER A 29 -3.602 4.624 4.226 1.00 0.00 C ATOM 332 O SER A 29 -4.755 4.381 3.863 1.00 0.00 O ATOM 333 CB SER A 29 -2.004 5.785 2.680 1.00 0.00 C ATOM 334 OG SER A 29 -0.837 5.657 1.887 1.00 0.00 O ATOM 0 H SER A 29 -3.538 3.797 1.606 1.00 0.00 H new ATOM 0 HA SER A 29 -1.592 4.014 3.832 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.815 6.190 2.075 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.823 6.495 3.487 1.00 0.00 H new ATOM 0 HG SER A 29 -0.591 6.533 1.523 1.00 0.00 H new ATOM 340 N ALA A 30 -3.301 5.062 5.451 1.00 0.00 N ATOM 341 CA ALA A 30 -4.328 5.289 6.468 1.00 0.00 C ATOM 342 C ALA A 30 -5.089 6.592 6.213 1.00 0.00 C ATOM 343 O ALA A 30 -4.760 7.342 5.293 1.00 0.00 O ATOM 344 CB ALA A 30 -3.703 5.300 7.859 1.00 0.00 C ATOM 0 H ALA A 30 -2.351 5.267 5.762 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.044 4.469 6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.479 5.470 8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.221 4.341 8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.962 6.097 7.919 1.00 0.00 H new ATOM 350 N SER A 31 -6.107 6.852 7.035 1.00 0.00 N ATOM 351 CA SER A 31 -6.916 8.061 6.898 1.00 0.00 C ATOM 352 C SER A 31 -6.448 9.145 7.869 1.00 0.00 C ATOM 353 O SER A 31 -6.578 8.997 9.086 1.00 0.00 O ATOM 354 CB SER A 31 -8.396 7.740 7.137 1.00 0.00 C ATOM 355 OG SER A 31 -9.052 7.413 5.923 1.00 0.00 O ATOM 0 H SER A 31 -6.390 6.241 7.802 1.00 0.00 H new ATOM 0 HA SER A 31 -6.795 8.437 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.482 6.908 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.887 8.597 7.599 1.00 0.00 H new ATOM 0 HG SER A 31 -9.757 8.070 5.745 1.00 0.00 H new ATOM 361 N TRP A 32 -5.898 10.231 7.318 1.00 0.00 N ATOM 362 CA TRP A 32 -5.401 11.351 8.120 1.00 0.00 C ATOM 363 C TRP A 32 -4.336 10.886 9.121 1.00 0.00 C ATOM 364 O TRP A 32 -4.304 11.342 10.266 1.00 0.00 O ATOM 365 CB TRP A 32 -6.563 12.033 8.856 1.00 0.00 C ATOM 366 CG TRP A 32 -6.367 13.508 9.060 1.00 0.00 C ATOM 367 CD1 TRP A 32 -5.497 14.107 9.926 1.00 0.00 C ATOM 368 CD2 TRP A 32 -7.058 14.573 8.389 1.00 0.00 C ATOM 369 NE1 TRP A 32 -5.604 15.474 9.836 1.00 0.00 N ATOM 370 CE2 TRP A 32 -6.555 15.784 8.900 1.00 0.00 C ATOM 371 CE3 TRP A 32 -8.053 14.620 7.407 1.00 0.00 C ATOM 372 CZ2 TRP A 32 -7.010 17.025 8.462 1.00 0.00 C ATOM 373 CZ3 TRP A 32 -8.505 15.853 6.974 1.00 0.00 C ATOM 374 CH2 TRP A 32 -7.983 17.041 7.501 1.00 0.00 C ATOM 0 H TRP A 32 -5.786 10.358 6.312 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.937 12.071 7.446 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.482 11.872 8.293 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.696 11.556 9.827 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.822 13.582 10.586 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.063 16.148 10.378 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.461 13.709 6.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.609 17.942 8.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.273 15.901 6.217 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -8.356 17.989 7.141 1.00 0.00 H new ATOM 385 N CYS A 33 -3.464 9.977 8.683 1.00 0.00 N ATOM 386 CA CYS A 33 -2.402 9.458 9.541 1.00 0.00 C ATOM 387 C CYS A 33 -1.037 9.963 9.083 1.00 0.00 C ATOM 388 O CYS A 33 -0.816 10.178 7.891 1.00 0.00 O ATOM 389 CB CYS A 33 -2.415 7.927 9.541 1.00 0.00 C ATOM 390 SG CYS A 33 -3.367 7.197 10.894 1.00 0.00 S ATOM 0 H CYS A 33 -3.473 9.586 7.741 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.584 9.816 10.554 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.824 7.578 8.593 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.388 7.566 9.597 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.320 5.901 10.807 1.00 0.00 H new ATOM 396 N PRO A 34 -0.094 10.150 10.033 1.00 0.00 N ATOM 397 CA PRO A 34 1.265 10.622 9.727 1.00 0.00 C ATOM 398 C PRO A 34 1.945 9.774 8.655 1.00 0.00 C ATOM 399 O PRO A 34 2.764 10.276 7.883 1.00 0.00 O ATOM 400 CB PRO A 34 2.001 10.487 11.062 1.00 0.00 C ATOM 401 CG PRO A 34 0.930 10.561 12.093 1.00 0.00 C ATOM 402 CD PRO A 34 -0.278 9.909 11.479 1.00 0.00 C ATOM 0 HA PRO A 34 1.263 11.637 9.329 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.543 9.543 11.121 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.733 11.284 11.193 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.230 10.046 13.006 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.720 11.596 12.365 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.320 8.844 11.707 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.204 10.351 11.846 1.00 0.00 H new ATOM 410 N ASP A 35 1.598 8.485 8.608 1.00 0.00 N ATOM 411 CA ASP A 35 2.171 7.572 7.624 1.00 0.00 C ATOM 412 C ASP A 35 1.664 7.901 6.223 1.00 0.00 C ATOM 413 O ASP A 35 2.442 7.962 5.271 1.00 0.00 O ATOM 414 CB ASP A 35 1.830 6.120 7.970 1.00 0.00 C ATOM 415 CG ASP A 35 3.066 5.277 8.212 1.00 0.00 C ATOM 416 OD1 ASP A 35 3.788 4.988 7.236 1.00 0.00 O ATOM 417 OD2 ASP A 35 3.314 4.909 9.379 1.00 0.00 O ATOM 0 H ASP A 35 0.924 8.054 9.240 1.00 0.00 H new ATOM 0 HA ASP A 35 3.254 7.694 7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.200 6.100 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.249 5.683 7.158 1.00 0.00 H new ATOM 422 N CYS A 36 0.351 8.116 6.106 1.00 0.00 N ATOM 423 CA CYS A 36 -0.265 8.443 4.821 1.00 0.00 C ATOM 424 C CYS A 36 0.362 9.697 4.217 1.00 0.00 C ATOM 425 O CYS A 36 0.799 9.683 3.066 1.00 0.00 O ATOM 426 CB CYS A 36 -1.775 8.640 4.983 1.00 0.00 C ATOM 427 SG CYS A 36 -2.638 9.032 3.443 1.00 0.00 S ATOM 0 H CYS A 36 -0.304 8.069 6.886 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.088 7.608 4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.205 7.733 5.407 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.951 9.442 5.700 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.850 8.564 3.493 1.00 0.00 H new ATOM 433 N VAL A 37 0.404 10.777 4.999 1.00 0.00 N ATOM 434 CA VAL A 37 0.981 12.038 4.535 1.00 0.00 C ATOM 435 C VAL A 37 2.469 11.880 4.209 1.00 0.00 C ATOM 436 O VAL A 37 2.969 12.487 3.260 1.00 0.00 O ATOM 437 CB VAL A 37 0.803 13.176 5.572 1.00 0.00 C ATOM 438 CG1 VAL A 37 -0.673 13.514 5.750 1.00 0.00 C ATOM 439 CG2 VAL A 37 1.440 12.805 6.906 1.00 0.00 C ATOM 0 H VAL A 37 0.046 10.803 5.954 1.00 0.00 H new ATOM 0 HA VAL A 37 0.439 12.309 3.629 1.00 0.00 H new ATOM 0 HB VAL A 37 1.313 14.062 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.777 14.315 6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.090 13.838 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.209 12.631 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.301 13.621 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.970 11.902 7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.506 12.627 6.763 1.00 0.00 H new ATOM 449 N TYR A 38 3.169 11.057 4.996 1.00 0.00 N ATOM 450 CA TYR A 38 4.595 10.818 4.783 1.00 0.00 C ATOM 451 C TYR A 38 4.832 10.084 3.463 1.00 0.00 C ATOM 452 O TYR A 38 5.581 10.560 2.611 1.00 0.00 O ATOM 453 CB TYR A 38 5.181 10.013 5.948 1.00 0.00 C ATOM 454 CG TYR A 38 6.674 9.776 5.847 1.00 0.00 C ATOM 455 CD1 TYR A 38 7.579 10.819 6.010 1.00 0.00 C ATOM 456 CD2 TYR A 38 7.180 8.506 5.594 1.00 0.00 C ATOM 457 CE1 TYR A 38 8.942 10.602 5.924 1.00 0.00 C ATOM 458 CE2 TYR A 38 8.541 8.282 5.509 1.00 0.00 C ATOM 459 CZ TYR A 38 9.417 9.332 5.675 1.00 0.00 C ATOM 460 OH TYR A 38 10.773 9.113 5.595 1.00 0.00 O ATOM 0 H TYR A 38 2.770 10.547 5.784 1.00 0.00 H new ATOM 0 HA TYR A 38 5.098 11.784 4.734 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.969 10.537 6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.674 9.050 6.001 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.211 11.815 6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.497 7.680 5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.631 11.424 6.051 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.916 7.288 5.313 1.00 0.00 H new ATOM 0 HH TYR A 38 10.941 8.164 5.415 1.00 0.00 H new ATOM 470 N ALA A 39 4.184 8.929 3.294 1.00 0.00 N ATOM 471 CA ALA A 39 4.322 8.138 2.067 1.00 0.00 C ATOM 472 C ALA A 39 3.874 8.934 0.839 1.00 0.00 C ATOM 473 O ALA A 39 4.377 8.723 -0.267 1.00 0.00 O ATOM 474 CB ALA A 39 3.532 6.839 2.170 1.00 0.00 C ATOM 0 H ALA A 39 3.559 8.521 3.989 1.00 0.00 H new ATOM 0 HA ALA A 39 5.378 7.896 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.649 6.268 1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.904 6.252 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.477 7.066 2.325 1.00 0.00 H new ATOM 480 N ASN A 40 2.931 9.858 1.045 1.00 0.00 N ATOM 481 CA ASN A 40 2.424 10.688 -0.037 1.00 0.00 C ATOM 482 C ASN A 40 3.467 11.713 -0.448 1.00 0.00 C ATOM 483 O ASN A 40 3.623 12.009 -1.631 1.00 0.00 O ATOM 484 CB ASN A 40 1.132 11.392 0.382 1.00 0.00 C ATOM 485 CG ASN A 40 -0.099 10.712 -0.182 1.00 0.00 C ATOM 486 OD1 ASN A 40 -0.718 11.204 -1.123 1.00 0.00 O ATOM 487 ND2 ASN A 40 -0.456 9.567 0.389 1.00 0.00 N ATOM 0 H ASN A 40 2.507 10.046 1.954 1.00 0.00 H new ATOM 0 HA ASN A 40 2.207 10.044 -0.889 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.068 11.412 1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.159 12.428 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.273 9.060 0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.087 9.195 1.168 1.00 0.00 H new ATOM 494 N SER A 41 4.183 12.248 0.538 1.00 0.00 N ATOM 495 CA SER A 41 5.217 13.234 0.275 1.00 0.00 C ATOM 496 C SER A 41 6.353 12.622 -0.546 1.00 0.00 C ATOM 497 O SER A 41 6.924 13.282 -1.416 1.00 0.00 O ATOM 498 CB SER A 41 5.754 13.823 1.584 1.00 0.00 C ATOM 499 OG SER A 41 6.701 12.963 2.194 1.00 0.00 O ATOM 0 H SER A 41 4.063 12.013 1.523 1.00 0.00 H new ATOM 0 HA SER A 41 4.773 14.043 -0.305 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.215 14.791 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.926 13.999 2.271 1.00 0.00 H new ATOM 0 HG SER A 41 6.244 12.173 2.550 1.00 0.00 H new ATOM 505 N ILE A 42 6.681 11.358 -0.258 1.00 0.00 N ATOM 506 CA ILE A 42 7.752 10.660 -0.969 1.00 0.00 C ATOM 507 C ILE A 42 7.481 10.604 -2.474 1.00 0.00 C ATOM 508 O ILE A 42 8.264 11.131 -3.265 1.00 0.00 O ATOM 509 CB ILE A 42 7.957 9.223 -0.437 1.00 0.00 C ATOM 510 CG1 ILE A 42 8.115 9.224 1.088 1.00 0.00 C ATOM 511 CG2 ILE A 42 9.174 8.585 -1.096 1.00 0.00 C ATOM 512 CD1 ILE A 42 9.246 10.098 1.586 1.00 0.00 C ATOM 0 H ILE A 42 6.220 10.800 0.461 1.00 0.00 H new ATOM 0 HA ILE A 42 8.662 11.233 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 42 7.074 8.635 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.182 9.561 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.282 8.202 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.307 7.573 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.025 8.547 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.061 9.177 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.294 10.046 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.188 9.749 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.071 11.129 1.279 1.00 0.00 H new ATOM 524 N TRP A 43 6.379 9.957 -2.871 1.00 0.00 N ATOM 525 CA TRP A 43 6.036 9.839 -4.291 1.00 0.00 C ATOM 526 C TRP A 43 5.705 11.202 -4.906 1.00 0.00 C ATOM 527 O TRP A 43 6.076 11.477 -6.048 1.00 0.00 O ATOM 528 CB TRP A 43 4.870 8.859 -4.501 1.00 0.00 C ATOM 529 CG TRP A 43 3.513 9.422 -4.177 1.00 0.00 C ATOM 530 CD1 TRP A 43 2.759 9.153 -3.073 1.00 0.00 C ATOM 531 CD2 TRP A 43 2.745 10.336 -4.975 1.00 0.00 C ATOM 532 NE1 TRP A 43 1.575 9.848 -3.129 1.00 0.00 N ATOM 533 CE2 TRP A 43 1.544 10.581 -4.284 1.00 0.00 C ATOM 534 CE3 TRP A 43 2.960 10.975 -6.199 1.00 0.00 C ATOM 535 CZ2 TRP A 43 0.559 11.433 -4.780 1.00 0.00 C ATOM 536 CZ3 TRP A 43 1.983 11.821 -6.690 1.00 0.00 C ATOM 537 CH2 TRP A 43 0.796 12.044 -5.980 1.00 0.00 C ATOM 0 H TRP A 43 5.716 9.512 -2.236 1.00 0.00 H new ATOM 0 HA TRP A 43 6.914 9.444 -4.802 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.873 8.528 -5.540 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.039 7.976 -3.885 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.050 8.490 -2.271 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.839 9.822 -2.424 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.873 10.811 -6.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.358 11.604 -4.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.137 12.318 -7.636 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.053 12.712 -6.389 1.00 0.00 H new ATOM 548 N ASN A 44 5.004 12.047 -4.146 1.00 0.00 N ATOM 549 CA ASN A 44 4.622 13.377 -4.621 1.00 0.00 C ATOM 550 C ASN A 44 5.850 14.201 -5.007 1.00 0.00 C ATOM 551 O ASN A 44 5.826 14.943 -5.991 1.00 0.00 O ATOM 552 CB ASN A 44 3.813 14.112 -3.548 1.00 0.00 C ATOM 553 CG ASN A 44 3.263 15.435 -4.041 1.00 0.00 C ATOM 554 OD1 ASN A 44 2.138 15.508 -4.536 1.00 0.00 O ATOM 555 ND2 ASN A 44 4.055 16.495 -3.907 1.00 0.00 N ATOM 0 H ASN A 44 4.690 11.833 -3.199 1.00 0.00 H new ATOM 0 HA ASN A 44 4.005 13.250 -5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.988 13.478 -3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.445 14.287 -2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.737 17.412 -4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.981 16.391 -3.491 1.00 0.00 H new ATOM 562 N LYS A 45 6.920 14.060 -4.228 1.00 0.00 N ATOM 563 CA LYS A 45 8.163 14.783 -4.479 1.00 0.00 C ATOM 564 C LYS A 45 9.025 14.058 -5.513 1.00 0.00 C ATOM 565 O LYS A 45 9.756 14.693 -6.274 1.00 0.00 O ATOM 566 CB LYS A 45 8.947 14.950 -3.174 1.00 0.00 C ATOM 567 CG LYS A 45 9.967 16.079 -3.211 1.00 0.00 C ATOM 568 CD LYS A 45 10.509 16.390 -1.822 1.00 0.00 C ATOM 569 CE LYS A 45 11.796 15.627 -1.532 1.00 0.00 C ATOM 570 NZ LYS A 45 12.998 16.510 -1.584 1.00 0.00 N ATOM 0 H LYS A 45 6.950 13.448 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 45 7.907 15.765 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.245 15.133 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.461 14.016 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.790 15.805 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.506 16.973 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.694 17.461 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.759 16.135 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.729 15.165 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.909 14.820 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.850 15.949 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.079 16.931 -2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.904 17.266 -0.876 1.00 0.00 H new ATOM 584 N LEU A 46 8.943 12.725 -5.534 1.00 0.00 N ATOM 585 CA LEU A 46 9.727 11.926 -6.474 1.00 0.00 C ATOM 586 C LEU A 46 9.080 11.875 -7.865 1.00 0.00 C ATOM 587 O LEU A 46 9.689 11.365 -8.809 1.00 0.00 O ATOM 588 CB LEU A 46 9.908 10.499 -5.945 1.00 0.00 C ATOM 589 CG LEU A 46 11.045 10.311 -4.936 1.00 0.00 C ATOM 590 CD1 LEU A 46 10.957 8.933 -4.294 1.00 0.00 C ATOM 591 CD2 LEU A 46 12.401 10.502 -5.605 1.00 0.00 C ATOM 0 H LEU A 46 8.344 12.180 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 46 10.699 12.410 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.975 10.182 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.083 9.835 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 46 10.942 11.067 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.771 8.812 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.002 8.832 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.035 8.167 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.193 10.364 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.518 9.771 -6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.463 11.508 -6.020 1.00 0.00 H new ATOM 603 N ASN A 47 7.854 12.397 -7.994 1.00 0.00 N ATOM 604 CA ASN A 47 7.146 12.399 -9.272 1.00 0.00 C ATOM 605 C ASN A 47 7.120 10.993 -9.887 1.00 0.00 C ATOM 606 O ASN A 47 7.406 10.814 -11.072 1.00 0.00 O ATOM 607 CB ASN A 47 7.806 13.396 -10.231 1.00 0.00 C ATOM 608 CG ASN A 47 7.031 13.570 -11.525 1.00 0.00 C ATOM 609 OD1 ASN A 47 7.533 13.266 -12.606 1.00 0.00 O ATOM 610 ND2 ASN A 47 5.799 14.063 -11.423 1.00 0.00 N ATOM 0 H ASN A 47 7.335 12.823 -7.226 1.00 0.00 H new ATOM 0 HA ASN A 47 6.115 12.706 -9.098 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.899 14.363 -9.736 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.816 13.058 -10.461 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.234 14.201 -12.261 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.420 14.303 -10.507 1.00 0.00 H new ATOM 617 N VAL A 48 6.771 9.999 -9.070 1.00 0.00 N ATOM 618 CA VAL A 48 6.705 8.614 -9.532 1.00 0.00 C ATOM 619 C VAL A 48 5.275 8.070 -9.445 1.00 0.00 C ATOM 620 O VAL A 48 5.069 6.881 -9.196 1.00 0.00 O ATOM 621 CB VAL A 48 7.656 7.697 -8.726 1.00 0.00 C ATOM 622 CG1 VAL A 48 9.112 8.010 -9.047 1.00 0.00 C ATOM 623 CG2 VAL A 48 7.392 7.822 -7.230 1.00 0.00 C ATOM 0 H VAL A 48 6.530 10.127 -8.087 1.00 0.00 H new ATOM 0 HA VAL A 48 7.024 8.614 -10.574 1.00 0.00 H new ATOM 0 HB VAL A 48 7.459 6.666 -9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.761 7.353 -8.469 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.292 7.853 -10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.326 9.048 -8.792 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.073 7.168 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.552 8.854 -6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.363 7.533 -7.017 1.00 0.00 H new ATOM 633 N GLN A 49 4.289 8.948 -9.661 1.00 0.00 N ATOM 634 CA GLN A 49 2.880 8.553 -9.610 1.00 0.00 C ATOM 635 C GLN A 49 2.476 7.744 -10.847 1.00 0.00 C ATOM 636 O GLN A 49 1.439 7.078 -10.845 1.00 0.00 O ATOM 637 CB GLN A 49 1.980 9.785 -9.472 1.00 0.00 C ATOM 638 CG GLN A 49 0.751 9.544 -8.607 1.00 0.00 C ATOM 639 CD GLN A 49 -0.404 10.464 -8.953 1.00 0.00 C ATOM 640 OE1 GLN A 49 -0.214 11.523 -9.553 1.00 0.00 O ATOM 641 NE2 GLN A 49 -1.614 10.067 -8.572 1.00 0.00 N ATOM 0 H GLN A 49 4.442 9.934 -9.872 1.00 0.00 H new ATOM 0 HA GLN A 49 2.751 7.917 -8.734 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.560 10.603 -9.045 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.660 10.104 -10.464 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.431 8.508 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.018 9.682 -7.559 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.728 9.183 -8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.428 10.647 -8.775 1.00 0.00 H new ATOM 650 N ASP A 50 3.302 7.794 -11.898 1.00 0.00 N ATOM 651 CA ASP A 50 3.026 7.050 -13.127 1.00 0.00 C ATOM 652 C ASP A 50 3.543 5.615 -13.018 1.00 0.00 C ATOM 653 O ASP A 50 2.980 4.698 -13.615 1.00 0.00 O ATOM 654 CB ASP A 50 3.669 7.741 -14.335 1.00 0.00 C ATOM 655 CG ASP A 50 2.782 8.818 -14.930 1.00 0.00 C ATOM 656 OD1 ASP A 50 1.595 8.534 -15.198 1.00 0.00 O ATOM 657 OD2 ASP A 50 3.278 9.947 -15.134 1.00 0.00 O ATOM 0 H ASP A 50 4.163 8.340 -11.920 1.00 0.00 H new ATOM 0 HA ASP A 50 1.945 7.026 -13.268 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.619 8.183 -14.033 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.892 6.996 -15.099 1.00 0.00 H new ATOM 662 N LYS A 51 4.618 5.431 -12.251 1.00 0.00 N ATOM 663 CA LYS A 51 5.211 4.110 -12.060 1.00 0.00 C ATOM 664 C LYS A 51 4.467 3.315 -10.980 1.00 0.00 C ATOM 665 O LYS A 51 4.398 2.086 -11.046 1.00 0.00 O ATOM 666 CB LYS A 51 6.691 4.243 -11.686 1.00 0.00 C ATOM 667 CG LYS A 51 7.550 4.885 -12.768 1.00 0.00 C ATOM 668 CD LYS A 51 8.864 5.398 -12.196 1.00 0.00 C ATOM 669 CE LYS A 51 9.858 5.766 -13.292 1.00 0.00 C ATOM 670 NZ LYS A 51 10.396 4.565 -13.995 1.00 0.00 N ATOM 0 H LYS A 51 5.095 6.182 -11.752 1.00 0.00 H new ATOM 0 HA LYS A 51 5.125 3.566 -13.001 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.773 4.834 -10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.088 3.253 -11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.752 4.158 -13.555 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.004 5.709 -13.228 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.672 6.271 -11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.301 4.636 -11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.372 6.420 -14.016 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.683 6.330 -12.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.197 4.845 -14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.717 3.867 -13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.650 4.145 -14.585 1.00 0.00 H new ATOM 684 N VAL A 52 3.913 4.022 -9.987 1.00 0.00 N ATOM 685 CA VAL A 52 3.178 3.378 -8.897 1.00 0.00 C ATOM 686 C VAL A 52 1.856 4.102 -8.632 1.00 0.00 C ATOM 687 O VAL A 52 1.755 5.314 -8.831 1.00 0.00 O ATOM 688 CB VAL A 52 4.013 3.352 -7.596 1.00 0.00 C ATOM 689 CG1 VAL A 52 3.273 2.619 -6.486 1.00 0.00 C ATOM 690 CG2 VAL A 52 5.374 2.714 -7.842 1.00 0.00 C ATOM 0 H VAL A 52 3.961 5.039 -9.918 1.00 0.00 H new ATOM 0 HA VAL A 52 2.974 2.353 -9.206 1.00 0.00 H new ATOM 0 HB VAL A 52 4.168 4.383 -7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.883 2.616 -5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.328 3.123 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.077 1.592 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.945 2.706 -6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.238 1.691 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.914 3.288 -8.595 1.00 0.00 H new ATOM 700 N PHE A 53 0.847 3.358 -8.172 1.00 0.00 N ATOM 701 CA PHE A 53 -0.456 3.936 -7.873 1.00 0.00 C ATOM 702 C PHE A 53 -0.785 3.786 -6.395 1.00 0.00 C ATOM 703 O PHE A 53 -1.009 2.681 -5.896 1.00 0.00 O ATOM 704 CB PHE A 53 -1.548 3.275 -8.722 1.00 0.00 C ATOM 705 CG PHE A 53 -1.920 4.066 -9.943 1.00 0.00 C ATOM 706 CD1 PHE A 53 -2.657 5.236 -9.830 1.00 0.00 C ATOM 707 CD2 PHE A 53 -1.531 3.643 -11.204 1.00 0.00 C ATOM 708 CE1 PHE A 53 -2.998 5.968 -10.953 1.00 0.00 C ATOM 709 CE2 PHE A 53 -1.869 4.371 -12.329 1.00 0.00 C ATOM 710 CZ PHE A 53 -2.603 5.535 -12.202 1.00 0.00 C ATOM 0 H PHE A 53 0.912 2.355 -8.000 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.417 4.998 -8.116 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.209 2.286 -9.029 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.437 3.131 -8.108 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.968 5.579 -8.854 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.957 2.734 -11.309 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.572 6.877 -10.852 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.560 4.031 -13.306 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.867 6.105 -13.080 1.00 0.00 H new ATOM 720 N VAL A 54 -0.809 4.915 -5.710 1.00 0.00 N ATOM 721 CA VAL A 54 -1.110 4.953 -4.280 1.00 0.00 C ATOM 722 C VAL A 54 -2.556 5.376 -4.032 1.00 0.00 C ATOM 723 O VAL A 54 -3.089 6.250 -4.719 1.00 0.00 O ATOM 724 CB VAL A 54 -0.155 5.907 -3.527 1.00 0.00 C ATOM 725 CG1 VAL A 54 -0.294 7.336 -4.042 1.00 0.00 C ATOM 726 CG2 VAL A 54 -0.399 5.849 -2.024 1.00 0.00 C ATOM 0 H VAL A 54 -0.622 5.830 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.967 3.942 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 54 0.866 5.576 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.388 7.987 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.052 7.365 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.318 7.678 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.286 6.529 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.427 6.143 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.231 4.833 -1.667 1.00 0.00 H new ATOM 736 N PHE A 55 -3.178 4.746 -3.040 1.00 0.00 N ATOM 737 CA PHE A 55 -4.562 5.044 -2.681 1.00 0.00 C ATOM 738 C PHE A 55 -4.818 4.748 -1.206 1.00 0.00 C ATOM 739 O PHE A 55 -4.406 3.707 -0.692 1.00 0.00 O ATOM 740 CB PHE A 55 -5.527 4.232 -3.549 1.00 0.00 C ATOM 741 CG PHE A 55 -6.810 4.953 -3.871 1.00 0.00 C ATOM 742 CD1 PHE A 55 -7.690 5.318 -2.862 1.00 0.00 C ATOM 743 CD2 PHE A 55 -7.137 5.257 -5.183 1.00 0.00 C ATOM 744 CE1 PHE A 55 -8.869 5.975 -3.158 1.00 0.00 C ATOM 745 CE2 PHE A 55 -8.317 5.913 -5.482 1.00 0.00 C ATOM 746 CZ PHE A 55 -9.183 6.272 -4.469 1.00 0.00 C ATOM 0 H PHE A 55 -2.743 4.022 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.733 6.106 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.027 3.966 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.764 3.299 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.451 5.086 -1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.463 4.979 -5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.545 6.256 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.561 6.144 -6.508 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.105 6.784 -4.702 1.00 0.00 H new ATOM 756 N ASP A 56 -5.513 5.665 -0.535 1.00 0.00 N ATOM 757 CA ASP A 56 -5.839 5.499 0.881 1.00 0.00 C ATOM 758 C ASP A 56 -6.955 4.470 1.063 1.00 0.00 C ATOM 759 O ASP A 56 -7.493 3.943 0.088 1.00 0.00 O ATOM 760 CB ASP A 56 -6.256 6.841 1.506 1.00 0.00 C ATOM 761 CG ASP A 56 -7.307 7.581 0.695 1.00 0.00 C ATOM 762 OD1 ASP A 56 -8.371 6.991 0.415 1.00 0.00 O ATOM 763 OD2 ASP A 56 -7.065 8.753 0.341 1.00 0.00 O ATOM 0 H ASP A 56 -5.861 6.530 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.945 5.139 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.641 6.662 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.375 7.475 1.611 1.00 0.00 H new ATOM 768 N ILE A 57 -7.301 4.189 2.319 1.00 0.00 N ATOM 769 CA ILE A 57 -8.354 3.223 2.631 1.00 0.00 C ATOM 770 C ILE A 57 -9.724 3.686 2.110 1.00 0.00 C ATOM 771 O ILE A 57 -10.606 2.864 1.859 1.00 0.00 O ATOM 772 CB ILE A 57 -8.437 2.945 4.151 1.00 0.00 C ATOM 773 CG1 ILE A 57 -9.449 1.832 4.441 1.00 0.00 C ATOM 774 CG2 ILE A 57 -8.796 4.211 4.919 1.00 0.00 C ATOM 775 CD1 ILE A 57 -8.985 0.853 5.497 1.00 0.00 C ATOM 0 H ILE A 57 -6.867 4.617 3.137 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.088 2.297 2.122 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.455 2.614 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.389 2.281 4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.654 1.289 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.848 3.988 5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.034 4.971 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.763 4.581 4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.751 0.093 5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.061 0.376 5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.808 1.384 6.432 1.00 0.00 H new ATOM 787 N GLY A 58 -9.887 5.003 1.942 1.00 0.00 N ATOM 788 CA GLY A 58 -11.142 5.548 1.444 1.00 0.00 C ATOM 789 C GLY A 58 -12.046 6.090 2.540 1.00 0.00 C ATOM 790 O GLY A 58 -13.183 6.480 2.267 1.00 0.00 O ATOM 0 H GLY A 58 -9.170 5.700 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.926 6.347 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.675 4.770 0.896 1.00 0.00 H new ATOM 794 N SER A 59 -11.552 6.113 3.783 1.00 0.00 N ATOM 795 CA SER A 59 -12.333 6.612 4.917 1.00 0.00 C ATOM 796 C SER A 59 -13.616 5.797 5.087 1.00 0.00 C ATOM 797 O SER A 59 -14.647 6.322 5.514 1.00 0.00 O ATOM 798 CB SER A 59 -12.674 8.094 4.720 1.00 0.00 C ATOM 799 OG SER A 59 -11.544 8.826 4.270 1.00 0.00 O ATOM 0 H SER A 59 -10.615 5.792 4.028 1.00 0.00 H new ATOM 0 HA SER A 59 -11.731 6.506 5.820 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.484 8.190 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.033 8.515 5.659 1.00 0.00 H new ATOM 0 HG SER A 59 -11.790 9.767 4.151 1.00 0.00 H new ATOM 805 N LEU A 60 -13.543 4.513 4.737 1.00 0.00 N ATOM 806 CA LEU A 60 -14.693 3.615 4.834 1.00 0.00 C ATOM 807 C LEU A 60 -15.284 3.603 6.245 1.00 0.00 C ATOM 808 O LEU A 60 -14.558 3.470 7.232 1.00 0.00 O ATOM 809 CB LEU A 60 -14.313 2.189 4.406 1.00 0.00 C ATOM 810 CG LEU A 60 -12.858 1.762 4.661 1.00 0.00 C ATOM 811 CD1 LEU A 60 -12.464 1.991 6.114 1.00 0.00 C ATOM 812 CD2 LEU A 60 -12.666 0.301 4.282 1.00 0.00 C ATOM 0 H LEU A 60 -12.695 4.070 4.382 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.456 3.994 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.970 1.491 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.517 2.087 3.340 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.209 2.377 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.430 1.680 6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.563 3.049 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.116 1.408 6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.632 0.010 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.331 -0.321 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.898 0.166 3.226 1.00 0.00 H new ATOM 824 N PRO A 61 -16.621 3.741 6.356 1.00 0.00 N ATOM 825 CA PRO A 61 -17.314 3.744 7.652 1.00 0.00 C ATOM 826 C PRO A 61 -17.132 2.423 8.398 1.00 0.00 C ATOM 827 O PRO A 61 -16.534 1.484 7.874 1.00 0.00 O ATOM 828 CB PRO A 61 -18.789 3.956 7.282 1.00 0.00 C ATOM 829 CG PRO A 61 -18.773 4.500 5.894 1.00 0.00 C ATOM 830 CD PRO A 61 -17.563 3.907 5.233 1.00 0.00 C ATOM 0 HA PRO A 61 -16.924 4.512 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -19.345 3.020 7.331 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -19.271 4.650 7.971 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -19.683 4.229 5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -18.720 5.589 5.902 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -17.791 2.955 4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.161 4.565 4.462 1.00 0.00 H new ATOM 838 N ARG A 62 -17.655 2.358 9.627 1.00 0.00 N ATOM 839 CA ARG A 62 -17.550 1.150 10.449 1.00 0.00 C ATOM 840 C ARG A 62 -18.031 -0.093 9.689 1.00 0.00 C ATOM 841 O ARG A 62 -17.576 -1.206 9.958 1.00 0.00 O ATOM 842 CB ARG A 62 -18.336 1.311 11.759 1.00 0.00 C ATOM 843 CG ARG A 62 -19.824 1.578 11.570 1.00 0.00 C ATOM 844 CD ARG A 62 -20.606 0.285 11.399 1.00 0.00 C ATOM 845 NE ARG A 62 -21.964 0.383 11.937 1.00 0.00 N ATOM 846 CZ ARG A 62 -22.745 -0.674 12.184 1.00 0.00 C ATOM 847 NH1 ARG A 62 -22.306 -1.908 11.949 1.00 0.00 N ATOM 848 NH2 ARG A 62 -23.970 -0.497 12.668 1.00 0.00 N ATOM 0 H ARG A 62 -18.155 3.127 10.073 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.496 1.010 10.688 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.214 0.407 12.355 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.902 2.131 12.331 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -20.208 2.126 12.431 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -19.973 2.212 10.696 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -20.654 0.029 10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -20.077 -0.526 11.899 1.00 0.00 H new ATOM 0 HE ARG A 62 -22.336 1.312 12.135 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -21.367 -2.053 11.578 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -22.908 -2.709 12.140 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -24.315 0.445 12.851 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -24.565 -1.303 12.856 1.00 0.00 H new ATOM 862 N ASN A 63 -18.952 0.102 8.742 1.00 0.00 N ATOM 863 CA ASN A 63 -19.485 -1.005 7.952 1.00 0.00 C ATOM 864 C ASN A 63 -18.476 -1.484 6.908 1.00 0.00 C ATOM 865 O ASN A 63 -18.133 -2.665 6.866 1.00 0.00 O ATOM 866 CB ASN A 63 -20.791 -0.592 7.266 1.00 0.00 C ATOM 867 CG ASN A 63 -21.685 -1.779 6.970 1.00 0.00 C ATOM 868 OD1 ASN A 63 -22.441 -2.232 7.828 1.00 0.00 O ATOM 869 ND2 ASN A 63 -21.600 -2.293 5.748 1.00 0.00 N ATOM 0 H ASN A 63 -19.342 1.014 8.506 1.00 0.00 H new ATOM 0 HA ASN A 63 -19.684 -1.831 8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -21.326 0.113 7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -20.562 -0.072 6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -22.176 -3.095 5.491 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -20.959 -1.886 5.067 1.00 0.00 H new ATOM 876 N GLU A 64 -18.005 -0.565 6.061 1.00 0.00 N ATOM 877 CA GLU A 64 -17.039 -0.913 5.017 1.00 0.00 C ATOM 878 C GLU A 64 -15.676 -1.265 5.612 1.00 0.00 C ATOM 879 O GLU A 64 -14.962 -2.114 5.076 1.00 0.00 O ATOM 880 CB GLU A 64 -16.896 0.234 4.016 1.00 0.00 C ATOM 881 CG GLU A 64 -17.860 0.139 2.846 1.00 0.00 C ATOM 882 CD GLU A 64 -17.495 1.063 1.699 1.00 0.00 C ATOM 883 OE1 GLU A 64 -16.331 1.022 1.246 1.00 0.00 O ATOM 884 OE2 GLU A 64 -18.376 1.825 1.251 1.00 0.00 O ATOM 0 H GLU A 64 -18.275 0.419 6.077 1.00 0.00 H new ATOM 0 HA GLU A 64 -17.417 -1.793 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.057 1.180 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.875 0.249 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.883 -0.889 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -18.866 0.378 3.191 1.00 0.00 H new ATOM 891 N GLN A 65 -15.322 -0.615 6.720 1.00 0.00 N ATOM 892 CA GLN A 65 -14.046 -0.863 7.391 1.00 0.00 C ATOM 893 C GLN A 65 -13.866 -2.352 7.689 1.00 0.00 C ATOM 894 O GLN A 65 -12.790 -2.911 7.471 1.00 0.00 O ATOM 895 CB GLN A 65 -13.962 -0.052 8.687 1.00 0.00 C ATOM 896 CG GLN A 65 -12.624 -0.163 9.399 1.00 0.00 C ATOM 897 CD GLN A 65 -12.656 0.446 10.786 1.00 0.00 C ATOM 898 OE1 GLN A 65 -12.398 1.637 10.958 1.00 0.00 O ATOM 899 NE2 GLN A 65 -12.977 -0.368 11.785 1.00 0.00 N ATOM 0 H GLN A 65 -15.903 0.090 7.174 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.244 -0.548 6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.156 0.996 8.461 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.750 -0.383 9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.341 -1.213 9.473 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.857 0.333 8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.184 -1.349 11.597 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.017 -0.012 12.740 1.00 0.00 H new ATOM 908 N GLU A 66 -14.932 -2.988 8.180 1.00 0.00 N ATOM 909 CA GLU A 66 -14.900 -4.413 8.497 1.00 0.00 C ATOM 910 C GLU A 66 -14.607 -5.241 7.245 1.00 0.00 C ATOM 911 O GLU A 66 -13.876 -6.233 7.305 1.00 0.00 O ATOM 912 CB GLU A 66 -16.233 -4.849 9.115 1.00 0.00 C ATOM 913 CG GLU A 66 -16.241 -6.291 9.608 1.00 0.00 C ATOM 914 CD GLU A 66 -17.390 -6.589 10.553 1.00 0.00 C ATOM 915 OE1 GLU A 66 -17.654 -5.763 11.455 1.00 0.00 O ATOM 916 OE2 GLU A 66 -18.025 -7.653 10.395 1.00 0.00 O ATOM 0 H GLU A 66 -15.827 -2.536 8.366 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.101 -4.584 9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.469 -4.188 9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.024 -4.723 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.300 -6.962 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.298 -6.501 10.113 1.00 0.00 H new ATOM 923 N LYS A 67 -15.175 -4.823 6.111 1.00 0.00 N ATOM 924 CA LYS A 67 -14.969 -5.524 4.844 1.00 0.00 C ATOM 925 C LYS A 67 -13.511 -5.428 4.385 1.00 0.00 C ATOM 926 O LYS A 67 -12.967 -6.386 3.838 1.00 0.00 O ATOM 927 CB LYS A 67 -15.906 -4.973 3.760 1.00 0.00 C ATOM 928 CG LYS A 67 -17.327 -5.514 3.847 1.00 0.00 C ATOM 929 CD LYS A 67 -17.945 -5.695 2.468 1.00 0.00 C ATOM 930 CE LYS A 67 -18.963 -6.828 2.450 1.00 0.00 C ATOM 931 NZ LYS A 67 -20.238 -6.451 3.127 1.00 0.00 N ATOM 0 H LYS A 67 -15.780 -4.004 6.046 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.203 -6.576 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.935 -3.886 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -15.494 -5.213 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.321 -6.469 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.941 -4.831 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -18.428 -4.767 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.159 -5.901 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -19.171 -7.111 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.538 -7.704 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.900 -7.252 3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -20.045 -6.206 4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.659 -5.632 2.644 1.00 0.00 H new ATOM 945 N TRP A 68 -12.879 -4.270 4.616 1.00 0.00 N ATOM 946 CA TRP A 68 -11.480 -4.066 4.227 1.00 0.00 C ATOM 947 C TRP A 68 -10.546 -4.956 5.046 1.00 0.00 C ATOM 948 O TRP A 68 -9.667 -5.616 4.493 1.00 0.00 O ATOM 949 CB TRP A 68 -11.073 -2.595 4.401 1.00 0.00 C ATOM 950 CG TRP A 68 -9.688 -2.283 3.899 1.00 0.00 C ATOM 951 CD1 TRP A 68 -9.361 -1.690 2.711 1.00 0.00 C ATOM 952 CD2 TRP A 68 -8.443 -2.543 4.571 1.00 0.00 C ATOM 953 NE1 TRP A 68 -7.995 -1.565 2.604 1.00 0.00 N ATOM 954 CE2 TRP A 68 -7.411 -2.082 3.731 1.00 0.00 C ATOM 955 CE3 TRP A 68 -8.100 -3.120 5.798 1.00 0.00 C ATOM 956 CZ2 TRP A 68 -6.066 -2.177 4.080 1.00 0.00 C ATOM 957 CZ3 TRP A 68 -6.765 -3.217 6.141 1.00 0.00 C ATOM 958 CH2 TRP A 68 -5.761 -2.746 5.286 1.00 0.00 C ATOM 0 H TRP A 68 -13.312 -3.465 5.068 1.00 0.00 H new ATOM 0 HA TRP A 68 -11.390 -4.338 3.175 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -11.790 -1.965 3.875 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -11.134 -2.334 5.457 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -10.072 -1.367 1.965 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.498 -1.154 1.814 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -8.866 -3.484 6.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -5.291 -1.814 3.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -6.491 -3.664 7.085 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -4.727 -2.834 5.584 1.00 0.00 H new ATOM 969 N ARG A 69 -10.734 -4.960 6.367 1.00 0.00 N ATOM 970 CA ARG A 69 -9.897 -5.762 7.260 1.00 0.00 C ATOM 971 C ARG A 69 -9.930 -7.243 6.880 1.00 0.00 C ATOM 972 O ARG A 69 -8.883 -7.871 6.723 1.00 0.00 O ATOM 973 CB ARG A 69 -10.337 -5.588 8.720 1.00 0.00 C ATOM 974 CG ARG A 69 -9.869 -4.286 9.361 1.00 0.00 C ATOM 975 CD ARG A 69 -8.360 -4.117 9.264 1.00 0.00 C ATOM 976 NE ARG A 69 -7.830 -3.271 10.334 1.00 0.00 N ATOM 977 CZ ARG A 69 -7.882 -1.935 10.326 1.00 0.00 C ATOM 978 NH1 ARG A 69 -8.446 -1.287 9.308 1.00 0.00 N ATOM 979 NH2 ARG A 69 -7.370 -1.245 11.339 1.00 0.00 N ATOM 0 H ARG A 69 -11.457 -4.418 6.841 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.873 -5.405 7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.425 -5.633 8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.957 -6.425 9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.361 -3.444 8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.170 -4.268 10.409 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.883 -5.096 9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.106 -3.680 8.298 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.394 -3.728 11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.842 -1.810 8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.482 -0.268 9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.937 -1.734 12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.409 -0.226 11.333 1.00 0.00 H new ATOM 993 N ILE A 70 -11.135 -7.798 6.736 1.00 0.00 N ATOM 994 CA ILE A 70 -11.290 -9.208 6.380 1.00 0.00 C ATOM 995 C ILE A 70 -10.768 -9.493 4.970 1.00 0.00 C ATOM 996 O ILE A 70 -10.057 -10.476 4.757 1.00 0.00 O ATOM 997 CB ILE A 70 -12.764 -9.672 6.480 1.00 0.00 C ATOM 998 CG1 ILE A 70 -13.337 -9.355 7.866 1.00 0.00 C ATOM 999 CG2 ILE A 70 -12.869 -11.165 6.194 1.00 0.00 C ATOM 1000 CD1 ILE A 70 -12.643 -10.091 8.995 1.00 0.00 C ATOM 0 H ILE A 70 -12.013 -7.295 6.860 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.697 -9.770 7.101 1.00 0.00 H new ATOM 0 HB ILE A 70 -13.346 -9.131 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.262 -8.282 8.044 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -14.397 -9.607 7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.911 -11.477 6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.499 -11.370 5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.272 -11.717 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -13.102 -9.817 9.945 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -12.740 -11.166 8.842 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.587 -9.820 9.011 1.00 0.00 H new ATOM 1012 N ALA A 71 -11.124 -8.635 4.011 1.00 0.00 N ATOM 1013 CA ALA A 71 -10.687 -8.809 2.625 1.00 0.00 C ATOM 1014 C ALA A 71 -9.164 -8.775 2.512 1.00 0.00 C ATOM 1015 O ALA A 71 -8.556 -9.704 1.979 1.00 0.00 O ATOM 1016 CB ALA A 71 -11.308 -7.748 1.728 1.00 0.00 C ATOM 0 H ALA A 71 -11.711 -7.816 4.168 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.027 -9.790 2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.970 -7.896 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.394 -7.829 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -11.005 -6.759 2.071 1.00 0.00 H new ATOM 1022 N PHE A 72 -8.552 -7.705 3.020 1.00 0.00 N ATOM 1023 CA PHE A 72 -7.097 -7.556 2.980 1.00 0.00 C ATOM 1024 C PHE A 72 -6.409 -8.703 3.723 1.00 0.00 C ATOM 1025 O PHE A 72 -5.375 -9.206 3.284 1.00 0.00 O ATOM 1026 CB PHE A 72 -6.681 -6.211 3.587 1.00 0.00 C ATOM 1027 CG PHE A 72 -5.573 -5.525 2.834 1.00 0.00 C ATOM 1028 CD1 PHE A 72 -5.817 -4.920 1.610 1.00 0.00 C ATOM 1029 CD2 PHE A 72 -4.288 -5.482 3.354 1.00 0.00 C ATOM 1030 CE1 PHE A 72 -4.798 -4.288 0.919 1.00 0.00 C ATOM 1031 CE2 PHE A 72 -3.268 -4.853 2.667 1.00 0.00 C ATOM 1032 CZ PHE A 72 -3.524 -4.255 1.449 1.00 0.00 C ATOM 0 H PHE A 72 -9.042 -6.928 3.464 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.783 -7.586 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.549 -5.552 3.618 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.364 -6.370 4.618 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.813 -4.942 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.082 -5.946 4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.999 -3.821 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.271 -4.829 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.728 -3.762 0.911 1.00 0.00 H new ATOM 1042 N GLN A 73 -6.999 -9.120 4.847 1.00 0.00 N ATOM 1043 CA GLN A 73 -6.445 -10.216 5.643 1.00 0.00 C ATOM 1044 C GLN A 73 -6.574 -11.554 4.909 1.00 0.00 C ATOM 1045 O GLN A 73 -5.775 -12.466 5.123 1.00 0.00 O ATOM 1046 CB GLN A 73 -7.150 -10.296 7.002 1.00 0.00 C ATOM 1047 CG GLN A 73 -6.406 -11.139 8.026 1.00 0.00 C ATOM 1048 CD GLN A 73 -7.254 -11.460 9.243 1.00 0.00 C ATOM 1049 OE1 GLN A 73 -7.762 -10.561 9.915 1.00 0.00 O ATOM 1050 NE2 GLN A 73 -7.412 -12.747 9.536 1.00 0.00 N ATOM 0 H GLN A 73 -7.857 -8.716 5.224 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.386 -10.013 5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.276 -9.288 7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.148 -10.710 6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.081 -12.069 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.507 -10.610 8.343 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.974 -13.460 8.953 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.971 -13.021 10.344 1.00 0.00 H new ATOM 1059 N LYS A 74 -7.582 -11.667 4.043 1.00 0.00 N ATOM 1060 CA LYS A 74 -7.808 -12.892 3.282 1.00 0.00 C ATOM 1061 C LYS A 74 -6.867 -12.979 2.079 1.00 0.00 C ATOM 1062 O LYS A 74 -6.474 -14.071 1.670 1.00 0.00 O ATOM 1063 CB LYS A 74 -9.264 -12.956 2.813 1.00 0.00 C ATOM 1064 CG LYS A 74 -9.938 -14.300 3.061 1.00 0.00 C ATOM 1065 CD LYS A 74 -11.406 -14.129 3.434 1.00 0.00 C ATOM 1066 CE LYS A 74 -12.208 -15.397 3.172 1.00 0.00 C ATOM 1067 NZ LYS A 74 -13.446 -15.125 2.386 1.00 0.00 N ATOM 0 H LYS A 74 -8.254 -10.924 3.853 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.601 -13.739 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.833 -12.177 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.301 -12.734 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.858 -14.918 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.417 -14.827 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.484 -13.861 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.833 -13.305 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.587 -16.113 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.476 -15.859 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.961 -16.015 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.051 -14.462 2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.190 -14.708 1.468 1.00 0.00 H new ATOM 1081 N VAL A 75 -6.511 -11.824 1.510 1.00 0.00 N ATOM 1082 CA VAL A 75 -5.623 -11.784 0.352 1.00 0.00 C ATOM 1083 C VAL A 75 -4.155 -11.834 0.775 1.00 0.00 C ATOM 1084 O VAL A 75 -3.376 -12.616 0.229 1.00 0.00 O ATOM 1085 CB VAL A 75 -5.858 -10.525 -0.512 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -5.044 -10.597 -1.799 1.00 0.00 C ATOM 1087 CG2 VAL A 75 -7.339 -10.355 -0.823 1.00 0.00 C ATOM 0 H VAL A 75 -6.824 -10.909 1.833 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.857 -12.666 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.526 -9.655 0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.223 -9.701 -2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.984 -10.665 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.342 -11.477 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.483 -9.463 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.699 -11.228 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.897 -10.252 0.108 1.00 0.00 H new ATOM 1097 N VAL A 76 -3.778 -10.996 1.741 1.00 0.00 N ATOM 1098 CA VAL A 76 -2.396 -10.961 2.216 1.00 0.00 C ATOM 1099 C VAL A 76 -2.280 -11.350 3.690 1.00 0.00 C ATOM 1100 O VAL A 76 -1.355 -12.069 4.071 1.00 0.00 O ATOM 1101 CB VAL A 76 -1.740 -9.579 1.999 1.00 0.00 C ATOM 1102 CG1 VAL A 76 -1.357 -9.396 0.539 1.00 0.00 C ATOM 1103 CG2 VAL A 76 -2.654 -8.453 2.463 1.00 0.00 C ATOM 0 H VAL A 76 -4.404 -10.338 2.206 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.862 -11.700 1.618 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.834 -9.538 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.896 -8.417 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.650 -10.173 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.249 -9.466 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.163 -7.494 2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.587 -8.486 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.867 -8.572 3.525 1.00 0.00 H new ATOM 1113 N GLY A 77 -3.210 -10.869 4.513 1.00 0.00 N ATOM 1114 CA GLY A 77 -3.182 -11.181 5.934 1.00 0.00 C ATOM 1115 C GLY A 77 -2.680 -10.022 6.777 1.00 0.00 C ATOM 1116 O GLY A 77 -1.927 -10.224 7.732 1.00 0.00 O ATOM 0 H GLY A 77 -3.982 -10.269 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.185 -11.456 6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.543 -12.049 6.099 1.00 0.00 H new ATOM 1120 N SER A 78 -3.102 -8.805 6.427 1.00 0.00 N ATOM 1121 CA SER A 78 -2.698 -7.610 7.158 1.00 0.00 C ATOM 1122 C SER A 78 -3.924 -6.842 7.650 1.00 0.00 C ATOM 1123 O SER A 78 -4.527 -6.068 6.900 1.00 0.00 O ATOM 1124 CB SER A 78 -1.831 -6.712 6.269 1.00 0.00 C ATOM 1125 OG SER A 78 -0.474 -7.118 6.307 1.00 0.00 O ATOM 0 H SER A 78 -3.725 -8.625 5.640 1.00 0.00 H new ATOM 0 HA SER A 78 -2.112 -7.917 8.024 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.197 -6.748 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.914 -5.677 6.600 1.00 0.00 H new ATOM 0 HG SER A 78 0.014 -6.699 5.567 1.00 0.00 H new ATOM 1131 N ARG A 79 -4.289 -7.064 8.913 1.00 0.00 N ATOM 1132 CA ARG A 79 -5.447 -6.397 9.512 1.00 0.00 C ATOM 1133 C ARG A 79 -5.056 -5.032 10.094 1.00 0.00 C ATOM 1134 O ARG A 79 -5.376 -4.721 11.245 1.00 0.00 O ATOM 1135 CB ARG A 79 -6.064 -7.294 10.597 1.00 0.00 C ATOM 1136 CG ARG A 79 -7.522 -6.983 10.900 1.00 0.00 C ATOM 1137 CD ARG A 79 -8.108 -7.965 11.906 1.00 0.00 C ATOM 1138 NE ARG A 79 -9.105 -7.334 12.774 1.00 0.00 N ATOM 1139 CZ ARG A 79 -9.512 -7.841 13.943 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -9.023 -8.998 14.387 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -10.416 -7.193 14.668 1.00 0.00 N ATOM 0 H ARG A 79 -3.800 -7.701 9.542 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.189 -6.225 8.733 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.983 -8.335 10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.483 -7.191 11.513 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.605 -5.969 11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.101 -7.018 9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.567 -8.798 11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.306 -8.379 12.517 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.515 -6.452 12.467 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.332 -9.505 13.834 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.340 -9.376 15.280 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.800 -6.309 14.333 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.727 -7.579 15.559 1.00 0.00 H new ATOM 1155 N ASN A 80 -4.364 -4.218 9.288 1.00 0.00 N ATOM 1156 CA ASN A 80 -3.926 -2.888 9.717 1.00 0.00 C ATOM 1157 C ASN A 80 -3.361 -2.085 8.539 1.00 0.00 C ATOM 1158 O ASN A 80 -3.152 -2.626 7.453 1.00 0.00 O ATOM 1159 CB ASN A 80 -2.868 -3.009 10.821 1.00 0.00 C ATOM 1160 CG ASN A 80 -2.809 -1.781 11.710 1.00 0.00 C ATOM 1161 OD1 ASN A 80 -1.770 -1.136 11.825 1.00 0.00 O ATOM 1162 ND2 ASN A 80 -3.930 -1.451 12.346 1.00 0.00 N ATOM 0 H ASN A 80 -4.096 -4.459 8.334 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.795 -2.358 10.108 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.085 -3.885 11.432 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.891 -3.171 10.366 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.948 -0.635 12.957 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.771 -2.014 12.222 1.00 0.00 H new ATOM 1169 N LEU A 81 -3.108 -0.791 8.766 1.00 0.00 N ATOM 1170 CA LEU A 81 -2.557 0.090 7.730 1.00 0.00 C ATOM 1171 C LEU A 81 -1.523 1.053 8.327 1.00 0.00 C ATOM 1172 O LEU A 81 -1.489 1.255 9.543 1.00 0.00 O ATOM 1173 CB LEU A 81 -3.669 0.887 7.017 1.00 0.00 C ATOM 1174 CG LEU A 81 -4.968 1.123 7.804 1.00 0.00 C ATOM 1175 CD1 LEU A 81 -5.781 -0.161 7.901 1.00 0.00 C ATOM 1176 CD2 LEU A 81 -4.677 1.688 9.190 1.00 0.00 C ATOM 0 H LEU A 81 -3.277 -0.330 9.660 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.065 -0.544 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.262 1.858 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.922 0.366 6.094 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.559 1.861 7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.696 0.029 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.035 -0.507 6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.195 -0.925 8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.615 1.845 9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.056 0.986 9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.152 2.638 9.093 1.00 0.00 H new ATOM 1188 N PRO A 82 -0.657 1.661 7.481 1.00 0.00 N ATOM 1189 CA PRO A 82 -0.662 1.451 6.024 1.00 0.00 C ATOM 1190 C PRO A 82 -0.100 0.088 5.614 1.00 0.00 C ATOM 1191 O PRO A 82 0.467 -0.636 6.435 1.00 0.00 O ATOM 1192 CB PRO A 82 0.239 2.572 5.508 1.00 0.00 C ATOM 1193 CG PRO A 82 1.180 2.842 6.627 1.00 0.00 C ATOM 1194 CD PRO A 82 0.397 2.613 7.893 1.00 0.00 C ATOM 0 HA PRO A 82 -1.674 1.466 5.619 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.772 2.269 4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.339 3.460 5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.045 2.180 6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.558 3.863 6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.024 2.200 8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.028 3.541 8.275 1.00 0.00 H new ATOM 1202 N THR A 83 -0.268 -0.250 4.336 1.00 0.00 N ATOM 1203 CA THR A 83 0.210 -1.524 3.804 1.00 0.00 C ATOM 1204 C THR A 83 0.634 -1.381 2.339 1.00 0.00 C ATOM 1205 O THR A 83 -0.131 -0.880 1.513 1.00 0.00 O ATOM 1206 CB THR A 83 -0.883 -2.592 3.933 1.00 0.00 C ATOM 1207 OG1 THR A 83 -2.173 -2.003 3.883 1.00 0.00 O ATOM 1208 CG2 THR A 83 -0.791 -3.392 5.216 1.00 0.00 C ATOM 0 H THR A 83 -0.733 0.343 3.649 1.00 0.00 H new ATOM 0 HA THR A 83 1.081 -1.831 4.384 1.00 0.00 H new ATOM 0 HB THR A 83 -0.726 -3.267 3.091 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.812 -2.646 3.511 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.593 -4.129 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.172 -3.901 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.885 -2.722 6.070 1.00 0.00 H new ATOM 1216 N ILE A 84 1.853 -1.824 2.025 1.00 0.00 N ATOM 1217 CA ILE A 84 2.371 -1.744 0.660 1.00 0.00 C ATOM 1218 C ILE A 84 2.291 -3.100 -0.040 1.00 0.00 C ATOM 1219 O ILE A 84 3.006 -4.039 0.317 1.00 0.00 O ATOM 1220 CB ILE A 84 3.834 -1.248 0.624 1.00 0.00 C ATOM 1221 CG1 ILE A 84 4.003 0.018 1.471 1.00 0.00 C ATOM 1222 CG2 ILE A 84 4.272 -0.993 -0.813 1.00 0.00 C ATOM 1223 CD1 ILE A 84 3.172 1.191 0.993 1.00 0.00 C ATOM 0 H ILE A 84 2.498 -2.241 2.697 1.00 0.00 H new ATOM 0 HA ILE A 84 1.744 -1.023 0.135 1.00 0.00 H new ATOM 0 HB ILE A 84 4.469 -2.026 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.735 -0.208 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.054 0.306 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.305 -0.644 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.196 -1.917 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.629 -0.235 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.346 2.049 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.456 1.446 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.116 0.924 1.020 1.00 0.00 H new ATOM 1235 N VAL A 85 1.418 -3.190 -1.043 1.00 0.00 N ATOM 1236 CA VAL A 85 1.237 -4.424 -1.804 1.00 0.00 C ATOM 1237 C VAL A 85 1.954 -4.346 -3.152 1.00 0.00 C ATOM 1238 O VAL A 85 1.623 -3.510 -3.992 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.260 -4.721 -2.042 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.447 -6.101 -2.656 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -1.047 -4.596 -0.745 1.00 0.00 C ATOM 0 H VAL A 85 0.823 -2.419 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 85 1.669 -5.231 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.644 -3.983 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.509 -6.288 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.076 -6.148 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.042 -6.857 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.099 -4.809 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.659 -5.306 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.947 -3.583 -0.355 1.00 0.00 H new ATOM 1251 N VAL A 86 2.940 -5.224 -3.347 1.00 0.00 N ATOM 1252 CA VAL A 86 3.706 -5.259 -4.592 1.00 0.00 C ATOM 1253 C VAL A 86 3.562 -6.616 -5.279 1.00 0.00 C ATOM 1254 O VAL A 86 3.841 -7.656 -4.680 1.00 0.00 O ATOM 1255 CB VAL A 86 5.202 -4.965 -4.347 1.00 0.00 C ATOM 1256 CG1 VAL A 86 5.954 -4.834 -5.667 1.00 0.00 C ATOM 1257 CG2 VAL A 86 5.371 -3.706 -3.503 1.00 0.00 C ATOM 0 H VAL A 86 3.226 -5.920 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 86 3.301 -4.481 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 86 5.627 -5.805 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.005 -4.627 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.867 -5.764 -6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.527 -4.017 -6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.432 -3.516 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.925 -2.857 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.877 -3.844 -2.541 1.00 0.00 H new ATOM 1267 N ASN A 87 3.117 -6.593 -6.538 1.00 0.00 N ATOM 1268 CA ASN A 87 2.923 -7.817 -7.319 1.00 0.00 C ATOM 1269 C ASN A 87 1.869 -8.719 -6.673 1.00 0.00 C ATOM 1270 O ASN A 87 2.011 -9.943 -6.655 1.00 0.00 O ATOM 1271 CB ASN A 87 4.245 -8.580 -7.475 1.00 0.00 C ATOM 1272 CG ASN A 87 5.231 -7.857 -8.373 1.00 0.00 C ATOM 1273 OD1 ASN A 87 5.018 -7.737 -9.580 1.00 0.00 O ATOM 1274 ND2 ASN A 87 6.322 -7.373 -7.789 1.00 0.00 N ATOM 0 H ASN A 87 2.883 -5.736 -7.040 1.00 0.00 H new ATOM 0 HA ASN A 87 2.569 -7.526 -8.308 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.694 -8.727 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.043 -9.570 -7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.022 -6.880 -8.344 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.460 -7.494 -6.786 1.00 0.00 H new ATOM 1281 N GLY A 88 0.810 -8.101 -6.143 1.00 0.00 N ATOM 1282 CA GLY A 88 -0.254 -8.859 -5.503 1.00 0.00 C ATOM 1283 C GLY A 88 0.217 -9.616 -4.276 1.00 0.00 C ATOM 1284 O GLY A 88 -0.088 -10.798 -4.115 1.00 0.00 O ATOM 0 H GLY A 88 0.672 -7.090 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.057 -8.179 -5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.673 -9.565 -6.220 1.00 0.00 H new ATOM 1288 N LYS A 89 0.961 -8.931 -3.412 1.00 0.00 N ATOM 1289 CA LYS A 89 1.480 -9.534 -2.191 1.00 0.00 C ATOM 1290 C LYS A 89 2.153 -8.479 -1.313 1.00 0.00 C ATOM 1291 O LYS A 89 2.902 -7.631 -1.802 1.00 0.00 O ATOM 1292 CB LYS A 89 2.469 -10.658 -2.520 1.00 0.00 C ATOM 1293 CG LYS A 89 3.442 -10.313 -3.641 1.00 0.00 C ATOM 1294 CD LYS A 89 4.106 -11.555 -4.215 1.00 0.00 C ATOM 1295 CE LYS A 89 5.335 -11.950 -3.414 1.00 0.00 C ATOM 1296 NZ LYS A 89 6.510 -12.228 -4.290 1.00 0.00 N ATOM 0 H LYS A 89 1.218 -7.952 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 89 0.641 -9.960 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.036 -10.904 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.910 -11.551 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.911 -9.786 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.206 -9.634 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.394 -12.380 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.389 -11.371 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.585 -11.151 -2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.110 -12.835 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.387 -12.060 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.481 -13.218 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.482 -11.599 -5.118 1.00 0.00 H new ATOM 1310 N PHE A 90 1.871 -8.541 -0.015 1.00 0.00 N ATOM 1311 CA PHE A 90 2.435 -7.600 0.956 1.00 0.00 C ATOM 1312 C PHE A 90 3.960 -7.682 0.978 1.00 0.00 C ATOM 1313 O PHE A 90 4.536 -8.657 1.464 1.00 0.00 O ATOM 1314 CB PHE A 90 1.865 -7.881 2.353 1.00 0.00 C ATOM 1315 CG PHE A 90 2.375 -6.956 3.423 1.00 0.00 C ATOM 1316 CD1 PHE A 90 3.533 -7.260 4.126 1.00 0.00 C ATOM 1317 CD2 PHE A 90 1.699 -5.785 3.731 1.00 0.00 C ATOM 1318 CE1 PHE A 90 4.002 -6.417 5.112 1.00 0.00 C ATOM 1319 CE2 PHE A 90 2.165 -4.938 4.717 1.00 0.00 C ATOM 1320 CZ PHE A 90 3.320 -5.254 5.409 1.00 0.00 C ATOM 0 H PHE A 90 1.250 -9.239 0.395 1.00 0.00 H new ATOM 0 HA PHE A 90 2.157 -6.590 0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.778 -7.807 2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.104 -8.907 2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.073 -8.167 3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.797 -5.532 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.903 -6.667 5.652 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.628 -4.030 4.948 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.687 -4.593 6.180 1.00 0.00 H new ATOM 1330 N TRP A 91 4.603 -6.648 0.438 1.00 0.00 N ATOM 1331 CA TRP A 91 6.061 -6.591 0.383 1.00 0.00 C ATOM 1332 C TRP A 91 6.616 -5.437 1.228 1.00 0.00 C ATOM 1333 O TRP A 91 7.765 -5.492 1.672 1.00 0.00 O ATOM 1334 CB TRP A 91 6.527 -6.453 -1.070 1.00 0.00 C ATOM 1335 CG TRP A 91 7.828 -7.145 -1.356 1.00 0.00 C ATOM 1336 CD1 TRP A 91 9.037 -6.550 -1.578 1.00 0.00 C ATOM 1337 CD2 TRP A 91 8.053 -8.559 -1.456 1.00 0.00 C ATOM 1338 NE1 TRP A 91 9.999 -7.505 -1.812 1.00 0.00 N ATOM 1339 CE2 TRP A 91 9.419 -8.745 -1.741 1.00 0.00 C ATOM 1340 CE3 TRP A 91 7.232 -9.686 -1.332 1.00 0.00 C ATOM 1341 CZ2 TRP A 91 9.981 -10.009 -1.905 1.00 0.00 C ATOM 1342 CZ3 TRP A 91 7.794 -10.940 -1.493 1.00 0.00 C ATOM 1343 CH2 TRP A 91 9.156 -11.092 -1.776 1.00 0.00 C ATOM 0 H TRP A 91 4.135 -5.838 0.032 1.00 0.00 H new ATOM 0 HA TRP A 91 6.446 -7.521 0.800 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.758 -6.858 -1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 91 6.628 -5.395 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 91 9.212 -5.484 -1.571 1.00 0.00 H new ATOM 0 HE1 TRP A 91 10.983 -7.321 -2.007 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.180 -9.579 -1.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 11.031 -10.129 -2.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.171 -11.817 -1.399 1.00 0.00 H new ATOM 0 HH2 TRP A 91 9.564 -12.085 -1.895 1.00 0.00 H new ATOM 1354 N GLY A 92 5.807 -4.394 1.451 1.00 0.00 N ATOM 1355 CA GLY A 92 6.268 -3.259 2.241 1.00 0.00 C ATOM 1356 C GLY A 92 5.386 -2.967 3.442 1.00 0.00 C ATOM 1357 O GLY A 92 4.160 -3.049 3.354 1.00 0.00 O ATOM 0 H GLY A 92 4.852 -4.317 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.285 -3.452 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.309 -2.375 1.605 1.00 0.00 H new ATOM 1361 N THR A 93 6.018 -2.626 4.565 1.00 0.00 N ATOM 1362 CA THR A 93 5.295 -2.322 5.803 1.00 0.00 C ATOM 1363 C THR A 93 5.316 -0.823 6.119 1.00 0.00 C ATOM 1364 O THR A 93 6.000 -0.044 5.454 1.00 0.00 O ATOM 1365 CB THR A 93 5.901 -3.100 6.977 1.00 0.00 C ATOM 1366 OG1 THR A 93 6.536 -4.286 6.529 1.00 0.00 O ATOM 1367 CG2 THR A 93 4.883 -3.493 8.023 1.00 0.00 C ATOM 0 H THR A 93 7.032 -2.553 4.644 1.00 0.00 H new ATOM 0 HA THR A 93 4.258 -2.625 5.657 1.00 0.00 H new ATOM 0 HB THR A 93 6.621 -2.417 7.429 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.873 -4.874 6.111 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.378 -4.040 8.825 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.415 -2.597 8.430 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.121 -4.126 7.569 1.00 0.00 H new ATOM 1375 N GLU A 94 4.565 -0.433 7.156 1.00 0.00 N ATOM 1376 CA GLU A 94 4.493 0.966 7.586 1.00 0.00 C ATOM 1377 C GLU A 94 5.823 1.440 8.176 1.00 0.00 C ATOM 1378 O GLU A 94 6.172 2.615 8.069 1.00 0.00 O ATOM 1379 CB GLU A 94 3.371 1.160 8.615 1.00 0.00 C ATOM 1380 CG GLU A 94 3.577 0.392 9.919 1.00 0.00 C ATOM 1381 CD GLU A 94 3.458 1.272 11.152 1.00 0.00 C ATOM 1382 OE1 GLU A 94 4.094 2.348 11.182 1.00 0.00 O ATOM 1383 OE2 GLU A 94 2.732 0.883 12.091 1.00 0.00 O ATOM 0 H GLU A 94 3.997 -1.071 7.714 1.00 0.00 H new ATOM 0 HA GLU A 94 4.276 1.567 6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.282 2.222 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.426 0.849 8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.843 -0.411 9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.561 -0.076 9.907 1.00 0.00 H new ATOM 1390 N SER A 95 6.561 0.521 8.799 1.00 0.00 N ATOM 1391 CA SER A 95 7.850 0.853 9.401 1.00 0.00 C ATOM 1392 C SER A 95 8.990 0.657 8.404 1.00 0.00 C ATOM 1393 O SER A 95 10.018 1.329 8.492 1.00 0.00 O ATOM 1394 CB SER A 95 8.093 0.003 10.651 1.00 0.00 C ATOM 1395 OG SER A 95 8.812 0.730 11.631 1.00 0.00 O ATOM 0 H SER A 95 6.288 -0.457 8.899 1.00 0.00 H new ATOM 0 HA SER A 95 7.824 1.904 9.688 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.138 -0.323 11.064 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.648 -0.896 10.381 1.00 0.00 H new ATOM 0 HG SER A 95 8.952 0.165 12.420 1.00 0.00 H new ATOM 1401 N GLN A 96 8.804 -0.261 7.454 1.00 0.00 N ATOM 1402 CA GLN A 96 9.818 -0.535 6.440 1.00 0.00 C ATOM 1403 C GLN A 96 10.214 0.741 5.694 1.00 0.00 C ATOM 1404 O GLN A 96 11.384 0.934 5.364 1.00 0.00 O ATOM 1405 CB GLN A 96 9.302 -1.577 5.447 1.00 0.00 C ATOM 1406 CG GLN A 96 10.304 -1.938 4.361 1.00 0.00 C ATOM 1407 CD GLN A 96 9.741 -1.769 2.961 1.00 0.00 C ATOM 1408 OE1 GLN A 96 8.922 -0.885 2.713 1.00 0.00 O ATOM 1409 NE2 GLN A 96 10.181 -2.616 2.039 1.00 0.00 N ATOM 0 H GLN A 96 7.959 -0.826 7.367 1.00 0.00 H new ATOM 0 HA GLN A 96 10.702 -0.924 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.029 -2.481 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.393 -1.200 4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.191 -1.313 4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.624 -2.971 4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.861 -3.334 2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.839 -2.549 1.080 1.00 0.00 H new ATOM 1418 N LEU A 97 9.235 1.609 5.431 1.00 0.00 N ATOM 1419 CA LEU A 97 9.495 2.864 4.721 1.00 0.00 C ATOM 1420 C LEU A 97 10.386 3.794 5.543 1.00 0.00 C ATOM 1421 O LEU A 97 11.324 4.391 5.015 1.00 0.00 O ATOM 1422 CB LEU A 97 8.179 3.569 4.360 1.00 0.00 C ATOM 1423 CG LEU A 97 7.207 3.798 5.522 1.00 0.00 C ATOM 1424 CD1 LEU A 97 7.289 5.231 6.021 1.00 0.00 C ATOM 1425 CD2 LEU A 97 5.785 3.461 5.095 1.00 0.00 C ATOM 0 H LEU A 97 8.260 1.468 5.697 1.00 0.00 H new ATOM 0 HA LEU A 97 10.023 2.617 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.416 4.535 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.671 2.981 3.596 1.00 0.00 H new ATOM 0 HG LEU A 97 7.490 3.138 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.590 5.370 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.302 5.439 6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.034 5.914 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.105 3.628 5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.496 4.097 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.735 2.416 4.790 1.00 0.00 H new ATOM 1437 N HIS A 98 10.091 3.911 6.838 1.00 0.00 N ATOM 1438 CA HIS A 98 10.869 4.769 7.728 1.00 0.00 C ATOM 1439 C HIS A 98 12.208 4.123 8.087 1.00 0.00 C ATOM 1440 O HIS A 98 13.213 4.816 8.248 1.00 0.00 O ATOM 1441 CB HIS A 98 10.078 5.076 9.004 1.00 0.00 C ATOM 1442 CG HIS A 98 9.988 6.538 9.325 1.00 0.00 C ATOM 1443 ND1 HIS A 98 9.014 7.066 10.148 1.00 0.00 N ATOM 1444 CD2 HIS A 98 10.755 7.584 8.935 1.00 0.00 C ATOM 1445 CE1 HIS A 98 9.188 8.371 10.250 1.00 0.00 C ATOM 1446 NE2 HIS A 98 10.238 8.710 9.524 1.00 0.00 N ATOM 0 H HIS A 98 9.319 3.422 7.292 1.00 0.00 H new ATOM 0 HA HIS A 98 11.069 5.702 7.200 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.070 4.674 8.901 1.00 0.00 H new ATOM 0 HB3 HIS A 98 10.544 4.558 9.842 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.614 7.540 8.282 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.576 9.047 10.829 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.605 9.656 9.418 1.00 0.00 H new ATOM 1455 N ARG A 99 12.217 2.794 8.212 1.00 0.00 N ATOM 1456 CA ARG A 99 13.436 2.061 8.555 1.00 0.00 C ATOM 1457 C ARG A 99 14.412 2.022 7.378 1.00 0.00 C ATOM 1458 O ARG A 99 15.627 2.109 7.569 1.00 0.00 O ATOM 1459 CB ARG A 99 13.099 0.632 8.998 1.00 0.00 C ATOM 1460 CG ARG A 99 12.799 0.502 10.484 1.00 0.00 C ATOM 1461 CD ARG A 99 14.076 0.385 11.305 1.00 0.00 C ATOM 1462 NE ARG A 99 13.816 -0.055 12.677 1.00 0.00 N ATOM 1463 CZ ARG A 99 13.571 -1.324 13.022 1.00 0.00 C ATOM 1464 NH1 ARG A 99 13.523 -2.280 12.097 1.00 0.00 N ATOM 1465 NH2 ARG A 99 13.368 -1.636 14.298 1.00 0.00 N ATOM 0 H ARG A 99 11.395 2.205 8.081 1.00 0.00 H new ATOM 0 HA ARG A 99 13.915 2.588 9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.237 0.280 8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 99 13.934 -0.022 8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.229 1.369 10.818 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.174 -0.375 10.654 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.753 -0.320 10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.582 1.350 11.325 1.00 0.00 H new ATOM 0 HE ARG A 99 13.822 0.649 13.415 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.674 -2.048 11.115 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.336 -3.245 12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.399 -0.908 15.012 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.181 -2.603 14.563 1.00 0.00 H new ATOM 1479 N PHE A 100 13.876 1.886 6.166 1.00 0.00 N ATOM 1480 CA PHE A 100 14.706 1.829 4.960 1.00 0.00 C ATOM 1481 C PHE A 100 15.287 3.201 4.627 1.00 0.00 C ATOM 1482 O PHE A 100 16.476 3.319 4.329 1.00 0.00 O ATOM 1483 CB PHE A 100 13.899 1.303 3.768 1.00 0.00 C ATOM 1484 CG PHE A 100 13.789 -0.199 3.720 1.00 0.00 C ATOM 1485 CD1 PHE A 100 13.668 -0.945 4.885 1.00 0.00 C ATOM 1486 CD2 PHE A 100 13.807 -0.866 2.506 1.00 0.00 C ATOM 1487 CE1 PHE A 100 13.570 -2.321 4.837 1.00 0.00 C ATOM 1488 CE2 PHE A 100 13.708 -2.243 2.453 1.00 0.00 C ATOM 1489 CZ PHE A 100 13.589 -2.971 3.620 1.00 0.00 C ATOM 0 H PHE A 100 12.874 1.813 5.992 1.00 0.00 H new ATOM 0 HA PHE A 100 15.529 1.143 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 100 12.897 1.730 3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 100 14.362 1.653 2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 100 13.650 -0.442 5.841 1.00 0.00 H new ATOM 0 HD2 PHE A 100 13.900 -0.302 1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 100 13.479 -2.888 5.751 1.00 0.00 H new ATOM 0 HE2 PHE A 100 13.724 -2.750 1.499 1.00 0.00 H new ATOM 0 HZ PHE A 100 13.511 -4.047 3.580 1.00 0.00 H new ATOM 1499 N GLU A 101 14.446 4.236 4.677 1.00 0.00 N ATOM 1500 CA GLU A 101 14.885 5.598 4.378 1.00 0.00 C ATOM 1501 C GLU A 101 15.952 6.058 5.370 1.00 0.00 C ATOM 1502 O GLU A 101 16.919 6.724 4.990 1.00 0.00 O ATOM 1503 CB GLU A 101 13.696 6.563 4.403 1.00 0.00 C ATOM 1504 CG GLU A 101 13.751 7.620 3.308 1.00 0.00 C ATOM 1505 CD GLU A 101 12.377 8.092 2.863 1.00 0.00 C ATOM 1506 OE1 GLU A 101 11.445 7.259 2.801 1.00 0.00 O ATOM 1507 OE2 GLU A 101 12.229 9.297 2.579 1.00 0.00 O ATOM 0 H GLU A 101 13.459 4.156 4.921 1.00 0.00 H new ATOM 0 HA GLU A 101 15.320 5.599 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.773 5.993 4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.660 7.058 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.324 8.476 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.285 7.216 2.448 1.00 0.00 H new ATOM 1514 N ALA A 102 15.774 5.693 6.640 1.00 0.00 N ATOM 1515 CA ALA A 102 16.722 6.060 7.689 1.00 0.00 C ATOM 1516 C ALA A 102 18.078 5.398 7.458 1.00 0.00 C ATOM 1517 O ALA A 102 19.112 6.067 7.477 1.00 0.00 O ATOM 1518 CB ALA A 102 16.174 5.685 9.059 1.00 0.00 C ATOM 0 H ALA A 102 14.980 5.142 6.966 1.00 0.00 H new ATOM 0 HA ALA A 102 16.862 7.140 7.654 1.00 0.00 H new ATOM 0 HB1 ALA A 102 16.894 5.966 9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 102 15.235 6.211 9.232 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.001 4.610 9.100 1.00 0.00 H new ATOM 1524 N LYS A 103 18.068 4.083 7.239 1.00 0.00 N ATOM 1525 CA LYS A 103 19.296 3.331 7.002 1.00 0.00 C ATOM 1526 C LYS A 103 19.922 3.685 5.651 1.00 0.00 C ATOM 1527 O LYS A 103 21.136 3.566 5.474 1.00 0.00 O ATOM 1528 CB LYS A 103 19.012 1.831 7.057 1.00 0.00 C ATOM 1529 CG LYS A 103 18.770 1.303 8.461 1.00 0.00 C ATOM 1530 CD LYS A 103 18.878 -0.212 8.512 1.00 0.00 C ATOM 1531 CE LYS A 103 17.762 -0.822 9.347 1.00 0.00 C ATOM 1532 NZ LYS A 103 18.221 -2.029 10.093 1.00 0.00 N ATOM 0 H LYS A 103 17.220 3.517 7.221 1.00 0.00 H new ATOM 0 HA LYS A 103 20.004 3.600 7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 103 18.139 1.613 6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.853 1.295 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 103 19.494 1.744 9.146 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.781 1.610 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.839 -0.615 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 103 19.844 -0.495 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 103 17.389 -0.079 10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 103 16.929 -1.092 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 17.431 -2.414 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 18.553 -2.748 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 18.999 -1.767 10.732 1.00 0.00 H new ATOM 1546 N GLY A 104 19.088 4.108 4.699 1.00 0.00 N ATOM 1547 CA GLY A 104 19.581 4.459 3.376 1.00 0.00 C ATOM 1548 C GLY A 104 19.417 3.328 2.372 1.00 0.00 C ATOM 1549 O GLY A 104 20.147 3.265 1.382 1.00 0.00 O ATOM 0 H GLY A 104 18.081 4.213 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 104 19.049 5.340 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 104 20.635 4.729 3.445 1.00 0.00 H new ATOM 1553 N THR A 105 18.457 2.436 2.628 1.00 0.00 N ATOM 1554 CA THR A 105 18.198 1.301 1.742 1.00 0.00 C ATOM 1555 C THR A 105 16.881 1.478 0.973 1.00 0.00 C ATOM 1556 O THR A 105 16.317 0.507 0.467 1.00 0.00 O ATOM 1557 CB THR A 105 18.166 -0.001 2.550 1.00 0.00 C ATOM 1558 OG1 THR A 105 17.021 -0.052 3.382 1.00 0.00 O ATOM 1559 CG2 THR A 105 19.382 -0.192 3.434 1.00 0.00 C ATOM 0 H THR A 105 17.846 2.479 3.443 1.00 0.00 H new ATOM 0 HA THR A 105 19.007 1.253 1.013 1.00 0.00 H new ATOM 0 HB THR A 105 18.149 -0.797 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 105 16.241 -0.315 2.850 1.00 0.00 H new ATOM 0 HG21 THR A 105 19.293 -1.133 3.977 1.00 0.00 H new ATOM 0 HG22 THR A 105 20.281 -0.212 2.817 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.448 0.632 4.145 1.00 0.00 H new ATOM 1567 N LEU A 106 16.402 2.720 0.879 1.00 0.00 N ATOM 1568 CA LEU A 106 15.162 3.015 0.164 1.00 0.00 C ATOM 1569 C LEU A 106 15.403 3.033 -1.345 1.00 0.00 C ATOM 1570 O LEU A 106 14.689 2.375 -2.103 1.00 0.00 O ATOM 1571 CB LEU A 106 14.590 4.360 0.625 1.00 0.00 C ATOM 1572 CG LEU A 106 13.066 4.483 0.536 1.00 0.00 C ATOM 1573 CD1 LEU A 106 12.421 4.186 1.883 1.00 0.00 C ATOM 1574 CD2 LEU A 106 12.672 5.870 0.048 1.00 0.00 C ATOM 0 H LEU A 106 16.855 3.537 1.289 1.00 0.00 H new ATOM 0 HA LEU A 106 14.440 2.230 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.893 4.531 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.038 5.152 0.026 1.00 0.00 H new ATOM 0 HG LEU A 106 12.705 3.748 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.338 4.279 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.674 3.172 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.788 4.894 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.586 5.941 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.048 6.621 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.100 6.043 -0.939 1.00 0.00 H new ATOM 1586 N GLU A 107 16.420 3.786 -1.771 1.00 0.00 N ATOM 1587 CA GLU A 107 16.767 3.888 -3.189 1.00 0.00 C ATOM 1588 C GLU A 107 17.278 2.551 -3.728 1.00 0.00 C ATOM 1589 O GLU A 107 16.911 2.139 -4.831 1.00 0.00 O ATOM 1590 CB GLU A 107 17.826 4.976 -3.397 1.00 0.00 C ATOM 1591 CG GLU A 107 18.132 5.263 -4.861 1.00 0.00 C ATOM 1592 CD GLU A 107 19.565 4.935 -5.232 1.00 0.00 C ATOM 1593 OE1 GLU A 107 20.461 5.743 -4.908 1.00 0.00 O ATOM 1594 OE2 GLU A 107 19.790 3.870 -5.845 1.00 0.00 O ATOM 0 H GLU A 107 17.018 4.334 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 107 15.865 4.156 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.488 5.895 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.746 4.676 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.456 4.684 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.938 6.315 -5.069 1.00 0.00 H new ATOM 1601 N GLU A 108 18.118 1.876 -2.942 1.00 0.00 N ATOM 1602 CA GLU A 108 18.674 0.584 -3.336 1.00 0.00 C ATOM 1603 C GLU A 108 17.557 -0.420 -3.630 1.00 0.00 C ATOM 1604 O GLU A 108 17.543 -1.047 -4.691 1.00 0.00 O ATOM 1605 CB GLU A 108 19.596 0.044 -2.239 1.00 0.00 C ATOM 1606 CG GLU A 108 20.340 -1.224 -2.631 1.00 0.00 C ATOM 1607 CD GLU A 108 21.752 -1.263 -2.081 1.00 0.00 C ATOM 1608 OE1 GLU A 108 21.915 -1.581 -0.882 1.00 0.00 O ATOM 1609 OE2 GLU A 108 22.697 -0.977 -2.845 1.00 0.00 O ATOM 0 H GLU A 108 18.428 2.205 -2.027 1.00 0.00 H new ATOM 0 HA GLU A 108 19.257 0.726 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.322 0.813 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.004 -0.155 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 108 19.788 -2.092 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.375 -1.300 -3.718 1.00 0.00 H new ATOM 1616 N GLU A 109 16.622 -0.560 -2.689 1.00 0.00 N ATOM 1617 CA GLU A 109 15.498 -1.480 -2.856 1.00 0.00 C ATOM 1618 C GLU A 109 14.616 -1.057 -4.029 1.00 0.00 C ATOM 1619 O GLU A 109 14.140 -1.899 -4.790 1.00 0.00 O ATOM 1620 CB GLU A 109 14.661 -1.555 -1.575 1.00 0.00 C ATOM 1621 CG GLU A 109 14.310 -2.976 -1.158 1.00 0.00 C ATOM 1622 CD GLU A 109 12.821 -3.256 -1.228 1.00 0.00 C ATOM 1623 OE1 GLU A 109 12.105 -2.895 -0.272 1.00 0.00 O ATOM 1624 OE2 GLU A 109 12.372 -3.838 -2.236 1.00 0.00 O ATOM 0 H GLU A 109 16.621 -0.049 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 109 15.907 -2.468 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.208 -1.072 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.740 -0.990 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.838 -3.680 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 109 14.661 -3.149 -0.140 1.00 0.00 H new ATOM 1631 N LEU A 110 14.408 0.256 -4.173 1.00 0.00 N ATOM 1632 CA LEU A 110 13.588 0.793 -5.260 1.00 0.00 C ATOM 1633 C LEU A 110 14.147 0.380 -6.623 1.00 0.00 C ATOM 1634 O LEU A 110 13.390 0.076 -7.548 1.00 0.00 O ATOM 1635 CB LEU A 110 13.506 2.319 -5.167 1.00 0.00 C ATOM 1636 CG LEU A 110 12.168 2.925 -5.601 1.00 0.00 C ATOM 1637 CD1 LEU A 110 11.109 2.718 -4.525 1.00 0.00 C ATOM 1638 CD2 LEU A 110 12.327 4.406 -5.918 1.00 0.00 C ATOM 0 H LEU A 110 14.796 0.964 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 110 12.585 0.379 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 110 13.705 2.616 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 110 14.298 2.748 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 110 11.840 2.414 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.166 3.156 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.972 1.651 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.430 3.199 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.365 4.818 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 110 12.681 4.932 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.049 4.530 -6.726 1.00 0.00 H new ATOM 1650 N THR A 111 15.476 0.360 -6.741 1.00 0.00 N ATOM 1651 CA THR A 111 16.128 -0.031 -7.987 1.00 0.00 C ATOM 1652 C THR A 111 16.126 -1.555 -8.142 1.00 0.00 C ATOM 1653 O THR A 111 16.010 -2.071 -9.255 1.00 0.00 O ATOM 1654 CB THR A 111 17.566 0.506 -8.038 1.00 0.00 C ATOM 1655 OG1 THR A 111 17.603 1.878 -7.683 1.00 0.00 O ATOM 1656 CG2 THR A 111 18.206 0.374 -9.405 1.00 0.00 C ATOM 0 H THR A 111 16.119 0.610 -5.989 1.00 0.00 H new ATOM 0 HA THR A 111 15.566 0.403 -8.814 1.00 0.00 H new ATOM 0 HB THR A 111 18.126 -0.103 -7.328 1.00 0.00 H new ATOM 0 HG1 THR A 111 17.404 1.974 -6.728 1.00 0.00 H new ATOM 0 HG21 THR A 111 19.220 0.772 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A 111 18.238 -0.677 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 111 17.621 0.932 -10.136 1.00 0.00 H new ATOM 1664 N LYS A 112 16.249 -2.271 -7.019 1.00 0.00 N ATOM 1665 CA LYS A 112 16.256 -3.734 -7.033 1.00 0.00 C ATOM 1666 C LYS A 112 14.918 -4.293 -7.522 1.00 0.00 C ATOM 1667 O LYS A 112 14.889 -5.220 -8.333 1.00 0.00 O ATOM 1668 CB LYS A 112 16.570 -4.282 -5.635 1.00 0.00 C ATOM 1669 CG LYS A 112 17.125 -5.699 -5.645 1.00 0.00 C ATOM 1670 CD LYS A 112 17.237 -6.266 -4.238 1.00 0.00 C ATOM 1671 CE LYS A 112 18.241 -7.410 -4.162 1.00 0.00 C ATOM 1672 NZ LYS A 112 18.037 -8.421 -5.242 1.00 0.00 N ATOM 0 H LYS A 112 16.345 -1.859 -6.091 1.00 0.00 H new ATOM 0 HA LYS A 112 17.034 -4.054 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 112 17.289 -3.623 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.661 -4.261 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 112 16.479 -6.339 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 112 18.107 -5.703 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.536 -5.475 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 112 16.259 -6.619 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 112 19.252 -7.008 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 112 18.158 -7.898 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.573 -9.283 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 17.026 -8.652 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 18.370 -8.033 -6.148 1.00 0.00 H new ATOM 1686 N ILE A 113 13.815 -3.723 -7.028 1.00 0.00 N ATOM 1687 CA ILE A 113 12.475 -4.170 -7.422 1.00 0.00 C ATOM 1688 C ILE A 113 12.205 -3.921 -8.905 1.00 0.00 C ATOM 1689 O ILE A 113 11.391 -4.616 -9.517 1.00 0.00 O ATOM 1690 CB ILE A 113 11.364 -3.479 -6.597 1.00 0.00 C ATOM 1691 CG1 ILE A 113 11.448 -1.954 -6.740 1.00 0.00 C ATOM 1692 CG2 ILE A 113 11.452 -3.887 -5.133 1.00 0.00 C ATOM 1693 CD1 ILE A 113 10.346 -1.212 -6.013 1.00 0.00 C ATOM 0 H ILE A 113 13.823 -2.954 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 113 12.453 -5.242 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 113 10.399 -3.804 -6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 113 12.413 -1.615 -6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.412 -1.695 -7.798 1.00 0.00 H new ATOM 0 HG21 ILE A 113 10.662 -3.391 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.334 -4.967 -5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.423 -3.595 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.471 -0.139 -6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.378 -1.521 -6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.394 -1.441 -4.948 1.00 0.00 H new ATOM 1705 N GLY A 114 12.884 -2.926 -9.477 1.00 0.00 N ATOM 1706 CA GLY A 114 12.693 -2.605 -10.880 1.00 0.00 C ATOM 1707 C GLY A 114 11.887 -1.331 -11.092 1.00 0.00 C ATOM 1708 O GLY A 114 11.302 -1.137 -12.159 1.00 0.00 O ATOM 0 H GLY A 114 13.562 -2.338 -8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.666 -2.497 -11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.186 -3.435 -11.372 1.00 0.00 H new ATOM 1712 N LEU A 115 11.860 -0.457 -10.079 1.00 0.00 N ATOM 1713 CA LEU A 115 11.127 0.806 -10.172 1.00 0.00 C ATOM 1714 C LEU A 115 11.957 1.854 -10.914 1.00 0.00 C ATOM 1715 O LEU A 115 11.447 2.568 -11.779 1.00 0.00 O ATOM 1716 CB LEU A 115 10.757 1.317 -8.774 1.00 0.00 C ATOM 1717 CG LEU A 115 9.378 1.971 -8.664 1.00 0.00 C ATOM 1718 CD1 LEU A 115 8.329 0.949 -8.242 1.00 0.00 C ATOM 1719 CD2 LEU A 115 9.418 3.134 -7.684 1.00 0.00 C ATOM 0 H LEU A 115 12.336 -0.603 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 115 10.209 0.628 -10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.802 0.482 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.510 2.038 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 115 9.102 2.356 -9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.356 1.435 -8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.281 0.150 -8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.598 0.530 -7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.429 3.588 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.717 2.771 -6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.136 3.877 -8.031 1.00 0.00 H new ATOM 1731 N LEU A 116 13.243 1.936 -10.568 1.00 0.00 N ATOM 1732 CA LEU A 116 14.153 2.889 -11.198 1.00 0.00 C ATOM 1733 C LEU A 116 14.608 2.401 -12.578 1.00 0.00 C ATOM 1734 O LEU A 116 14.487 3.133 -13.564 1.00 0.00 O ATOM 1735 CB LEU A 116 15.369 3.144 -10.299 1.00 0.00 C ATOM 1736 CG LEU A 116 15.426 4.540 -9.669 1.00 0.00 C ATOM 1737 CD1 LEU A 116 15.484 4.442 -8.150 1.00 0.00 C ATOM 1738 CD2 LEU A 116 16.619 5.323 -10.205 1.00 0.00 C ATOM 0 H LEU A 116 13.677 1.352 -9.853 1.00 0.00 H new ATOM 0 HA LEU A 116 13.610 3.824 -11.334 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.375 2.401 -9.501 1.00 0.00 H new ATOM 0 HB3 LEU A 116 16.275 2.989 -10.885 1.00 0.00 H new ATOM 0 HG LEU A 116 14.517 5.076 -9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.524 5.444 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.596 3.926 -7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 116 16.374 3.886 -7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.642 6.311 -9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.540 4.791 -9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.529 5.428 -11.286 1.00 0.00 H new ATOM 1750 N PRO A 117 15.139 1.160 -12.675 1.00 0.00 N ATOM 1751 CA PRO A 117 15.606 0.602 -13.950 1.00 0.00 C ATOM 1752 C PRO A 117 14.532 0.650 -15.033 1.00 0.00 C ATOM 1753 O PRO A 117 14.782 1.282 -16.080 1.00 0.00 O ATOM 1754 CB PRO A 117 15.958 -0.849 -13.605 1.00 0.00 C ATOM 1755 CG PRO A 117 16.240 -0.831 -12.145 1.00 0.00 C ATOM 1756 CD PRO A 117 15.329 0.210 -11.560 1.00 0.00 C ATOM 1757 OXT PRO A 117 13.448 0.061 -14.823 1.00 0.00 O ATOM 0 HA PRO A 117 16.444 1.168 -14.356 1.00 0.00 H new ATOM 0 HB2 PRO A 117 15.135 -1.523 -13.841 1.00 0.00 H new ATOM 0 HB3 PRO A 117 16.824 -1.192 -14.172 1.00 0.00 H new ATOM 0 HG2 PRO A 117 16.053 -1.808 -11.699 1.00 0.00 H new ATOM 0 HG3 PRO A 117 17.285 -0.588 -11.952 1.00 0.00 H new ATOM 0 HD2 PRO A 117 14.383 -0.221 -11.233 1.00 0.00 H new ATOM 0 HD3 PRO A 117 15.776 0.693 -10.691 1.00 0.00 H new TER 1765 PRO A 117